USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Set 1.1: A 66 SER OG : rot 136:sc= 0.239 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.117 K(o=0.36,f=-0.93) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -3.13! C(o=-3.1!,f=-6.6!) USER MOD Single : A 17 TYR OH : rot -5:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.654! C(o=-0.65!,f=-3.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -160:sc= 0.053 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.83! (180deg=-0.0753!) USER MOD Single : A 60 TYR OH : rot 92:sc= 0.0026 USER MOD Single : A 70 MET CE :methyl -161:sc= -0.0614 (180deg=-0.442) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 85 MET CE :methyl -159:sc= 0 (180deg=-0.026) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 102 ASN : amide:sc= 1.39 K(o=1.4,f=-3.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.91 X(o=-0.91,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= 0.278 K(o=0.28,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.583 -4.967 -8.464 1.00 0.00 N ATOM 2 CA GLY A 1 -22.239 -4.649 -8.997 1.00 0.00 C ATOM 3 C GLY A 1 -21.184 -5.583 -8.454 1.00 0.00 C ATOM 4 O GLY A 1 -21.451 -6.361 -7.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.157 -5.410 -9.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.492 -5.623 -7.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.046 -4.092 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.255 -4.713 -10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.981 -3.621 -8.742 1.00 0.00 H new ATOM 10 N SER A 2 -19.989 -5.516 -9.018 1.00 0.00 N ATOM 11 CA SER A 2 -18.894 -6.369 -8.587 1.00 0.00 C ATOM 12 C SER A 2 -18.061 -5.674 -7.516 1.00 0.00 C ATOM 13 O SER A 2 -18.176 -4.461 -7.312 1.00 0.00 O ATOM 14 CB SER A 2 -18.019 -6.729 -9.788 1.00 0.00 C ATOM 15 OG SER A 2 -18.618 -6.290 -11.000 1.00 0.00 O ATOM 0 H SER A 2 -19.752 -4.878 -9.778 1.00 0.00 H new ATOM 0 HA SER A 2 -19.307 -7.282 -8.158 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.036 -6.272 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.867 -7.808 -9.822 1.00 0.00 H new ATOM 0 HG SER A 2 -18.041 -6.529 -11.755 1.00 0.00 H new ATOM 21 N LEU A 3 -17.198 -6.429 -6.863 1.00 0.00 N ATOM 22 CA LEU A 3 -16.302 -5.872 -5.867 1.00 0.00 C ATOM 23 C LEU A 3 -14.919 -5.687 -6.472 1.00 0.00 C ATOM 24 O LEU A 3 -14.714 -5.946 -7.661 1.00 0.00 O ATOM 25 CB LEU A 3 -16.219 -6.783 -4.643 1.00 0.00 C ATOM 26 CG LEU A 3 -17.363 -6.630 -3.638 1.00 0.00 C ATOM 27 CD1 LEU A 3 -18.174 -7.912 -3.552 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.820 -6.247 -2.271 1.00 0.00 C ATOM 0 H LEU A 3 -17.098 -7.434 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.692 -4.905 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.191 -7.819 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.277 -6.590 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 3 -18.021 -5.833 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.983 -7.783 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.593 -8.144 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.529 -8.730 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.646 -6.142 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.140 -7.023 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.284 -5.301 -2.345 1.00 0.00 H new ATOM 40 N LEU A 4 -13.963 -5.303 -5.645 1.00 0.00 N ATOM 41 CA LEU A 4 -12.593 -5.145 -6.099 1.00 0.00 C ATOM 42 C LEU A 4 -11.851 -6.468 -5.999 1.00 0.00 C ATOM 43 O LEU A 4 -12.240 -7.350 -5.238 1.00 0.00 O ATOM 44 CB LEU A 4 -11.865 -4.085 -5.274 1.00 0.00 C ATOM 45 CG LEU A 4 -12.664 -2.816 -4.994 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.607 -2.476 -3.516 1.00 0.00 C ATOM 47 CD2 LEU A 4 -12.134 -1.665 -5.835 1.00 0.00 C ATOM 0 H LEU A 4 -14.110 -5.095 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.617 -4.822 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.571 -4.527 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.948 -3.810 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.706 -2.987 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.181 -1.568 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.029 -3.298 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.570 -2.317 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.713 -0.765 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.087 -1.488 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.222 -1.916 -6.892 1.00 0.00 H new ATOM 59 N THR A 5 -10.770 -6.588 -6.743 1.00 0.00 N ATOM 60 CA THR A 5 -9.958 -7.790 -6.713 1.00 0.00 C ATOM 61 C THR A 5 -8.504 -7.451 -6.422 1.00 0.00 C ATOM 62 O THR A 5 -7.968 -6.478 -6.949 1.00 0.00 O ATOM 63 CB THR A 5 -10.049 -8.555 -8.037 1.00 0.00 C ATOM 64 OG1 THR A 5 -10.813 -7.795 -8.985 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.701 -9.906 -7.814 1.00 0.00 C ATOM 0 H THR A 5 -10.432 -5.865 -7.378 1.00 0.00 H new ATOM 0 HA THR A 5 -10.345 -8.424 -5.916 1.00 0.00 H new ATOM 0 HB THR A 5 -9.043 -8.709 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.867 -8.287 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.761 -10.442 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.107 -10.485 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.705 -9.764 -7.413 1.00 0.00 H new ATOM 73 N CYS A 6 -7.900 -8.222 -5.533 1.00 0.00 N ATOM 74 CA CYS A 6 -6.532 -7.986 -5.113 1.00 0.00 C ATOM 75 C CYS A 6 -5.571 -8.675 -6.071 1.00 0.00 C ATOM 76 O CYS A 6 -5.855 -9.764 -6.566 1.00 0.00 O ATOM 77 CB CYS A 6 -6.357 -8.481 -3.670 1.00 0.00 C ATOM 78 SG CYS A 6 -4.676 -9.020 -3.208 1.00 0.00 S ATOM 0 H CYS A 6 -8.343 -9.024 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.307 -6.920 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.660 -7.682 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.042 -9.313 -3.507 1.00 0.00 H new ATOM 83 N GLY A 7 -4.482 -7.995 -6.397 1.00 0.00 N ATOM 84 CA GLY A 7 -3.531 -8.520 -7.357 1.00 0.00 C ATOM 85 C GLY A 7 -2.697 -9.653 -6.794 1.00 0.00 C ATOM 86 O GLY A 7 -1.997 -10.349 -7.537 1.00 0.00 O ATOM 0 H GLY A 7 -4.238 -7.083 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.067 -8.872 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.871 -7.717 -7.685 1.00 0.00 H new ATOM 90 N GLY A 8 -2.773 -9.845 -5.486 1.00 0.00 N ATOM 91 CA GLY A 8 -2.021 -10.905 -4.848 1.00 0.00 C ATOM 92 C GLY A 8 -2.878 -12.119 -4.556 1.00 0.00 C ATOM 93 O GLY A 8 -2.387 -13.249 -4.541 1.00 0.00 O ATOM 0 H GLY A 8 -3.344 -9.284 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.189 -11.195 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.591 -10.534 -3.918 1.00 0.00 H new ATOM 97 N CYS A 9 -4.159 -11.883 -4.306 1.00 0.00 N ATOM 98 CA CYS A 9 -5.087 -12.959 -3.993 1.00 0.00 C ATOM 99 C CYS A 9 -5.968 -13.299 -5.187 1.00 0.00 C ATOM 100 O CYS A 9 -6.150 -14.469 -5.517 1.00 0.00 O ATOM 101 CB CYS A 9 -5.963 -12.558 -2.812 1.00 0.00 C ATOM 102 SG CYS A 9 -5.033 -12.221 -1.290 1.00 0.00 S ATOM 0 H CYS A 9 -4.579 -10.953 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.502 -13.843 -3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.535 -11.670 -3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.682 -13.354 -2.618 1.00 0.00 H new ATOM 107 N GLN A 10 -6.566 -12.267 -5.775 1.00 0.00 N ATOM 108 CA GLN A 10 -7.499 -12.417 -6.894 1.00 0.00 C ATOM 109 C GLN A 10 -8.765 -13.160 -6.461 1.00 0.00 C ATOM 110 O GLN A 10 -9.548 -13.622 -7.293 1.00 0.00 O ATOM 111 CB GLN A 10 -6.830 -13.134 -8.066 1.00 0.00 C ATOM 112 CG GLN A 10 -6.305 -12.187 -9.127 1.00 0.00 C ATOM 113 CD GLN A 10 -7.371 -11.781 -10.121 1.00 0.00 C ATOM 114 OE1 GLN A 10 -8.416 -11.248 -9.751 1.00 0.00 O ATOM 115 NE2 GLN A 10 -7.112 -12.026 -11.394 1.00 0.00 N ATOM 0 H GLN A 10 -6.419 -11.299 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.789 -11.419 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.006 -13.740 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.546 -13.818 -8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.903 -11.295 -8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.480 -12.663 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.233 -12.470 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.791 -11.771 -12.111 1.00 0.00 H new ATOM 124 N GLN A 11 -8.969 -13.246 -5.149 1.00 0.00 N ATOM 125 CA GLN A 11 -10.131 -13.925 -4.588 1.00 0.00 C ATOM 126 C GLN A 11 -11.190 -12.917 -4.149 1.00 0.00 C ATOM 127 O GLN A 11 -12.042 -13.227 -3.315 1.00 0.00 O ATOM 128 CB GLN A 11 -9.712 -14.792 -3.399 1.00 0.00 C ATOM 129 CG GLN A 11 -8.979 -14.025 -2.315 1.00 0.00 C ATOM 130 CD GLN A 11 -8.573 -14.904 -1.154 1.00 0.00 C ATOM 131 OE1 GLN A 11 -7.736 -15.796 -1.298 1.00 0.00 O ATOM 132 NE2 GLN A 11 -9.160 -14.663 0.006 1.00 0.00 N ATOM 0 H GLN A 11 -8.339 -12.850 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.560 -14.562 -5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.599 -15.255 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.073 -15.599 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.090 -13.560 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.617 -13.220 -1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.848 -13.914 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.924 -15.226 0.823 1.00 0.00 H new ATOM 141 N ASN A 12 -11.120 -11.718 -4.728 1.00 0.00 N ATOM 142 CA ASN A 12 -12.064 -10.630 -4.442 1.00 0.00 C ATOM 143 C ASN A 12 -11.850 -10.050 -3.045 1.00 0.00 C ATOM 144 O ASN A 12 -11.799 -10.778 -2.051 1.00 0.00 O ATOM 145 CB ASN A 12 -13.516 -11.099 -4.599 1.00 0.00 C ATOM 146 CG ASN A 12 -14.288 -10.276 -5.611 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.758 -9.894 -6.654 1.00 0.00 O ATOM 148 ND2 ASN A 12 -15.544 -9.989 -5.309 1.00 0.00 N ATOM 0 H ASN A 12 -10.405 -11.470 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.871 -9.843 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.525 -12.145 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.018 -11.045 -3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.109 -9.433 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.948 -10.324 -4.434 1.00 0.00 H new ATOM 155 N ILE A 13 -11.728 -8.732 -2.977 1.00 0.00 N ATOM 156 CA ILE A 13 -11.545 -8.036 -1.712 1.00 0.00 C ATOM 157 C ILE A 13 -12.890 -7.721 -1.069 1.00 0.00 C ATOM 158 O ILE A 13 -13.580 -6.781 -1.470 1.00 0.00 O ATOM 159 CB ILE A 13 -10.753 -6.729 -1.899 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.515 -6.983 -2.750 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.362 -6.131 -0.554 1.00 0.00 C ATOM 162 CD1 ILE A 13 -9.066 -5.777 -3.540 1.00 0.00 C ATOM 0 H ILE A 13 -11.753 -8.119 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.978 -8.699 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.392 -6.011 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.700 -7.307 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.720 -7.802 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.804 -5.209 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.261 -5.915 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.741 -6.841 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.180 -6.032 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.865 -5.465 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.829 -4.962 -2.856 1.00 0.00 H new ATOM 174 N GLY A 14 -13.256 -8.514 -0.075 1.00 0.00 N ATOM 175 CA GLY A 14 -14.511 -8.309 0.612 1.00 0.00 C ATOM 176 C GLY A 14 -14.313 -7.715 1.984 1.00 0.00 C ATOM 177 O GLY A 14 -15.229 -7.704 2.804 1.00 0.00 O ATOM 0 H GLY A 14 -12.703 -9.299 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.145 -7.650 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.035 -9.260 0.701 1.00 0.00 H new ATOM 181 N ASP A 15 -13.096 -7.259 2.245 1.00 0.00 N ATOM 182 CA ASP A 15 -12.737 -6.686 3.538 1.00 0.00 C ATOM 183 C ASP A 15 -13.421 -5.343 3.738 1.00 0.00 C ATOM 184 O ASP A 15 -14.145 -4.865 2.866 1.00 0.00 O ATOM 185 CB ASP A 15 -11.219 -6.509 3.650 1.00 0.00 C ATOM 186 CG ASP A 15 -10.465 -7.822 3.598 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.559 -8.530 2.574 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.768 -8.155 4.581 1.00 0.00 O ATOM 0 H ASP A 15 -12.331 -7.275 1.570 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.072 -7.375 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.873 -5.865 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.986 -5.999 4.585 1.00 0.00 H new ATOM 193 N ARG A 16 -13.180 -4.724 4.883 1.00 0.00 N ATOM 194 CA ARG A 16 -13.784 -3.435 5.179 1.00 0.00 C ATOM 195 C ARG A 16 -12.870 -2.296 4.739 1.00 0.00 C ATOM 196 O ARG A 16 -13.342 -1.256 4.277 1.00 0.00 O ATOM 197 CB ARG A 16 -14.113 -3.317 6.668 1.00 0.00 C ATOM 198 CG ARG A 16 -13.064 -3.908 7.586 1.00 0.00 C ATOM 199 CD ARG A 16 -12.650 -2.924 8.667 1.00 0.00 C ATOM 200 NE ARG A 16 -11.421 -3.347 9.330 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.363 -3.811 10.578 1.00 0.00 C ATOM 202 NH1 ARG A 16 -12.423 -3.730 11.373 1.00 0.00 N ATOM 203 NH2 ARG A 16 -10.225 -4.313 11.046 1.00 0.00 N ATOM 0 H ARG A 16 -12.575 -5.090 5.618 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.716 -3.362 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.245 -2.264 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.066 -3.811 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.453 -4.815 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.190 -4.198 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.507 -1.937 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.449 -2.832 9.403 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.549 -3.283 8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.287 -3.311 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.373 -4.087 12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.398 -4.343 10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.179 -4.668 12.001 1.00 0.00 H new ATOM 217 N TYR A 17 -11.568 -2.533 4.782 1.00 0.00 N ATOM 218 CA TYR A 17 -10.610 -1.556 4.291 1.00 0.00 C ATOM 219 C TYR A 17 -9.779 -2.228 3.207 1.00 0.00 C ATOM 220 O TYR A 17 -9.698 -3.457 3.175 1.00 0.00 O ATOM 221 CB TYR A 17 -9.709 -1.058 5.430 1.00 0.00 C ATOM 222 CG TYR A 17 -9.537 0.443 5.451 1.00 0.00 C ATOM 223 CD1 TYR A 17 -10.649 1.272 5.443 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.281 1.029 5.498 1.00 0.00 C ATOM 225 CE1 TYR A 17 -10.519 2.644 5.478 1.00 0.00 C ATOM 226 CE2 TYR A 17 -8.141 2.405 5.531 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.266 3.208 5.523 1.00 0.00 C ATOM 228 OH TYR A 17 -9.144 4.581 5.561 1.00 0.00 O ATOM 0 H TYR A 17 -11.153 -3.389 5.150 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.131 -0.688 3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.129 -1.381 6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.729 -1.527 5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.636 0.834 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.401 0.403 5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.397 3.273 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.157 2.850 5.563 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.030 4.991 5.470 1.00 0.00 H new ATOM 238 N PHE A 18 -9.140 -1.453 2.344 1.00 0.00 N ATOM 239 CA PHE A 18 -8.311 -2.036 1.309 1.00 0.00 C ATOM 240 C PHE A 18 -7.340 -1.018 0.781 1.00 0.00 C ATOM 241 O PHE A 18 -7.510 0.188 0.956 1.00 0.00 O ATOM 242 CB PHE A 18 -9.139 -2.621 0.160 1.00 0.00 C ATOM 243 CG PHE A 18 -9.520 -1.630 -0.908 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.443 -0.627 -0.653 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.947 -1.703 -2.167 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.788 0.281 -1.634 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.289 -0.798 -3.152 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.208 0.196 -2.886 1.00 0.00 C ATOM 0 H PHE A 18 -9.180 -0.434 2.341 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.761 -2.859 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.575 -3.432 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.048 -3.059 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.897 -0.555 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.224 -2.477 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.510 1.056 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.837 -0.868 -4.130 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.474 0.907 -3.655 1.00 0.00 H new ATOM 258 N LEU A 19 -6.304 -1.525 0.171 1.00 0.00 N ATOM 259 CA LEU A 19 -5.226 -0.701 -0.322 1.00 0.00 C ATOM 260 C LEU A 19 -5.001 -0.973 -1.800 1.00 0.00 C ATOM 261 O LEU A 19 -5.169 -2.099 -2.249 1.00 0.00 O ATOM 262 CB LEU A 19 -3.978 -0.973 0.490 1.00 0.00 C ATOM 263 CG LEU A 19 -3.753 0.033 1.616 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.376 1.386 1.057 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.963 0.135 2.525 1.00 0.00 C ATOM 0 H LEU A 19 -6.180 -2.523 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.482 0.353 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.042 -1.974 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.113 -0.963 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.923 -0.329 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.220 2.088 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.458 1.297 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.178 1.750 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.765 0.860 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.828 0.457 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.167 -0.839 2.970 1.00 0.00 H new ATOM 277 N LYS A 20 -4.709 0.063 -2.570 1.00 0.00 N ATOM 278 CA LYS A 20 -4.544 -0.084 -4.011 1.00 0.00 C ATOM 279 C LYS A 20 -3.780 1.116 -4.565 1.00 0.00 C ATOM 280 O LYS A 20 -3.938 2.227 -4.049 1.00 0.00 O ATOM 281 CB LYS A 20 -5.923 -0.244 -4.681 1.00 0.00 C ATOM 282 CG LYS A 20 -6.282 0.833 -5.694 1.00 0.00 C ATOM 283 CD LYS A 20 -7.244 1.851 -5.109 1.00 0.00 C ATOM 284 CE LYS A 20 -7.780 2.779 -6.183 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.265 2.804 -6.209 1.00 0.00 N ATOM 0 H LYS A 20 -4.581 1.014 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.963 -0.980 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.957 -1.213 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.687 -0.258 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.375 1.338 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.730 0.371 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.073 1.335 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.737 2.434 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.404 3.787 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.406 2.461 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.588 3.450 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.625 1.847 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.623 3.132 -5.289 1.00 0.00 H new ATOM 299 N ALA A 21 -2.949 0.893 -5.593 1.00 0.00 N ATOM 300 CA ALA A 21 -2.170 1.981 -6.200 1.00 0.00 C ATOM 301 C ALA A 21 -1.275 1.482 -7.327 1.00 0.00 C ATOM 302 O ALA A 21 -1.116 2.162 -8.341 1.00 0.00 O ATOM 303 CB ALA A 21 -1.315 2.682 -5.156 1.00 0.00 C ATOM 0 H ALA A 21 -2.800 -0.022 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.889 2.686 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.747 3.483 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.957 3.101 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.627 1.965 -4.709 1.00 0.00 H new ATOM 309 N ILE A 22 -0.606 0.352 -7.087 1.00 0.00 N ATOM 310 CA ILE A 22 0.387 -0.184 -8.022 1.00 0.00 C ATOM 311 C ILE A 22 -0.131 -0.221 -9.461 1.00 0.00 C ATOM 312 O ILE A 22 0.606 0.085 -10.398 1.00 0.00 O ATOM 313 CB ILE A 22 0.826 -1.611 -7.620 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.276 -1.653 -6.156 1.00 0.00 C ATOM 315 CG2 ILE A 22 1.937 -2.096 -8.536 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.180 -2.824 -5.822 1.00 0.00 C ATOM 0 H ILE A 22 -0.735 -0.213 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 22 1.240 0.493 -7.972 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.030 -2.277 -7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.798 -0.726 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.394 -1.694 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.237 -3.102 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.580 -2.110 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.792 -1.425 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.455 -2.783 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.655 -3.758 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.081 -2.774 -6.434 1.00 0.00 H new ATOM 328 N ASP A 23 -1.406 -0.568 -9.609 1.00 0.00 N ATOM 329 CA ASP A 23 -2.075 -0.634 -10.913 1.00 0.00 C ATOM 330 C ASP A 23 -3.397 -1.349 -10.756 1.00 0.00 C ATOM 331 O ASP A 23 -4.286 -1.260 -11.602 1.00 0.00 O ATOM 332 CB ASP A 23 -1.238 -1.384 -11.952 1.00 0.00 C ATOM 333 CG ASP A 23 -1.359 -0.768 -13.327 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.833 0.340 -13.527 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.971 -1.390 -14.220 1.00 0.00 O ATOM 0 H ASP A 23 -2.011 -0.814 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.218 0.389 -11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.192 -1.383 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.557 -2.425 -11.992 1.00 0.00 H new ATOM 340 N GLN A 24 -3.501 -2.069 -9.659 1.00 0.00 N ATOM 341 CA GLN A 24 -4.677 -2.846 -9.348 1.00 0.00 C ATOM 342 C GLN A 24 -5.058 -2.627 -7.897 1.00 0.00 C ATOM 343 O GLN A 24 -4.415 -1.840 -7.195 1.00 0.00 O ATOM 344 CB GLN A 24 -4.415 -4.333 -9.601 1.00 0.00 C ATOM 345 CG GLN A 24 -3.087 -4.820 -9.055 1.00 0.00 C ATOM 346 CD GLN A 24 -2.001 -4.847 -10.114 1.00 0.00 C ATOM 347 OE1 GLN A 24 -2.263 -4.597 -11.285 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.774 -5.139 -9.711 1.00 0.00 N ATOM 0 H GLN A 24 -2.766 -2.130 -8.955 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.496 -2.524 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.218 -4.916 -9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.447 -4.521 -10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.775 -4.173 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.212 -5.821 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.595 -5.342 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.008 -5.161 -10.384 1.00 0.00 H new ATOM 357 N TYR A 25 -6.021 -3.391 -7.426 1.00 0.00 N ATOM 358 CA TYR A 25 -6.430 -3.316 -6.035 1.00 0.00 C ATOM 359 C TYR A 25 -5.767 -4.422 -5.243 1.00 0.00 C ATOM 360 O TYR A 25 -5.257 -5.383 -5.818 1.00 0.00 O ATOM 361 CB TYR A 25 -7.951 -3.400 -5.905 1.00 0.00 C ATOM 362 CG TYR A 25 -8.695 -2.720 -7.029 1.00 0.00 C ATOM 363 CD1 TYR A 25 -8.495 -1.372 -7.312 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.589 -3.431 -7.814 1.00 0.00 C ATOM 365 CE1 TYR A 25 -9.171 -0.756 -8.349 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.270 -2.821 -8.852 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.057 -1.485 -9.117 1.00 0.00 C ATOM 368 OH TYR A 25 -10.725 -0.879 -10.161 1.00 0.00 O ATOM 0 H TYR A 25 -6.537 -4.072 -7.984 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.114 -2.353 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.246 -4.449 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.251 -2.951 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.802 -0.799 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.757 -4.479 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.007 0.291 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.966 -3.389 -9.452 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.309 -1.533 -10.599 1.00 0.00 H new ATOM 378 N TRP A 26 -5.632 -4.203 -3.953 1.00 0.00 N ATOM 379 CA TRP A 26 -4.905 -5.118 -3.097 1.00 0.00 C ATOM 380 C TRP A 26 -5.602 -5.256 -1.751 1.00 0.00 C ATOM 381 O TRP A 26 -6.680 -4.702 -1.526 1.00 0.00 O ATOM 382 CB TRP A 26 -3.485 -4.606 -2.861 1.00 0.00 C ATOM 383 CG TRP A 26 -2.665 -4.459 -4.102 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.603 -3.376 -4.929 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.778 -5.429 -4.644 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.707 -3.607 -5.941 1.00 0.00 N ATOM 387 CE2 TRP A 26 -1.196 -4.868 -5.792 1.00 0.00 C ATOM 388 CE3 TRP A 26 -1.420 -6.718 -4.262 1.00 0.00 C ATOM 389 CZ2 TRP A 26 -0.271 -5.555 -6.564 1.00 0.00 C ATOM 390 CZ3 TRP A 26 -0.501 -7.402 -5.031 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.063 -6.816 -6.169 1.00 0.00 C ATOM 0 H TRP A 26 -6.019 -3.392 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.871 -6.088 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.539 -3.639 -2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.974 -5.289 -2.182 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.176 -2.469 -4.805 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.462 -2.949 -6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.852 -7.173 -3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.168 -5.108 -7.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -0.213 -8.404 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.781 -7.377 -6.749 1.00 0.00 H new ATOM 402 N HIS A 27 -4.891 -5.855 -0.819 1.00 0.00 N ATOM 403 CA HIS A 27 -5.332 -5.947 0.561 1.00 0.00 C ATOM 404 C HIS A 27 -4.403 -5.120 1.442 1.00 0.00 C ATOM 405 O HIS A 27 -3.405 -4.579 0.958 1.00 0.00 O ATOM 406 CB HIS A 27 -5.310 -7.401 1.024 1.00 0.00 C ATOM 407 CG HIS A 27 -6.532 -8.182 0.663 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.474 -9.249 -0.192 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.811 -8.021 1.074 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.701 -9.720 -0.288 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.557 -9.005 0.468 1.00 0.00 N ATOM 0 H HIS A 27 -3.987 -6.294 -0.996 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.351 -5.566 0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.438 -7.894 0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.186 -7.423 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.177 -7.263 1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.984 -10.568 -0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.560 -9.162 0.571 1.00 0.00 H new ATOM 419 N GLU A 28 -4.688 -5.079 2.739 1.00 0.00 N ATOM 420 CA GLU A 28 -3.862 -4.353 3.685 1.00 0.00 C ATOM 421 C GLU A 28 -2.467 -4.971 3.792 1.00 0.00 C ATOM 422 O GLU A 28 -1.459 -4.282 3.642 1.00 0.00 O ATOM 423 CB GLU A 28 -4.538 -4.360 5.049 1.00 0.00 C ATOM 424 CG GLU A 28 -5.994 -3.925 5.023 1.00 0.00 C ATOM 425 CD GLU A 28 -6.512 -3.593 6.406 1.00 0.00 C ATOM 426 OE1 GLU A 28 -5.892 -2.751 7.090 1.00 0.00 O ATOM 427 OE2 GLU A 28 -7.530 -4.184 6.828 1.00 0.00 O ATOM 0 H GLU A 28 -5.493 -5.546 3.158 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.748 -3.328 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.478 -5.365 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.985 -3.702 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.100 -3.053 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.602 -4.719 4.589 1.00 0.00 H new ATOM 434 N ASP A 29 -2.419 -6.278 4.035 1.00 0.00 N ATOM 435 CA ASP A 29 -1.150 -6.991 4.175 1.00 0.00 C ATOM 436 C ASP A 29 -0.677 -7.521 2.833 1.00 0.00 C ATOM 437 O ASP A 29 0.310 -8.252 2.744 1.00 0.00 O ATOM 438 CB ASP A 29 -1.288 -8.143 5.173 1.00 0.00 C ATOM 439 CG ASP A 29 -0.021 -8.374 5.971 1.00 0.00 C ATOM 440 OD1 ASP A 29 0.413 -7.448 6.691 1.00 0.00 O ATOM 441 OD2 ASP A 29 0.541 -9.487 5.898 1.00 0.00 O ATOM 0 H ASP A 29 -3.245 -6.867 4.139 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.408 -6.286 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.110 -7.931 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.547 -9.056 4.636 1.00 0.00 H new ATOM 446 N CYS A 30 -1.373 -7.118 1.791 1.00 0.00 N ATOM 447 CA CYS A 30 -1.031 -7.517 0.446 1.00 0.00 C ATOM 448 C CYS A 30 -0.238 -6.419 -0.247 1.00 0.00 C ATOM 449 O CYS A 30 0.915 -6.628 -0.639 1.00 0.00 O ATOM 450 CB CYS A 30 -2.307 -7.862 -0.307 1.00 0.00 C ATOM 451 SG CYS A 30 -2.980 -9.485 0.177 1.00 0.00 S ATOM 0 H CYS A 30 -2.188 -6.507 1.854 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.395 -8.402 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.055 -7.091 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.106 -7.860 -1.378 1.00 0.00 H new ATOM 456 N LEU A 31 -0.786 -5.216 -0.246 1.00 0.00 N ATOM 457 CA LEU A 31 -0.051 -4.061 -0.736 1.00 0.00 C ATOM 458 C LEU A 31 0.825 -3.485 0.366 1.00 0.00 C ATOM 459 O LEU A 31 0.600 -2.373 0.840 1.00 0.00 O ATOM 460 CB LEU A 31 -0.987 -2.975 -1.267 1.00 0.00 C ATOM 461 CG LEU A 31 -0.506 -2.265 -2.542 1.00 0.00 C ATOM 462 CD1 LEU A 31 -1.431 -1.115 -2.887 1.00 0.00 C ATOM 463 CD2 LEU A 31 0.926 -1.762 -2.391 1.00 0.00 C ATOM 0 H LEU A 31 -1.729 -5.013 0.085 1.00 0.00 H new ATOM 0 HA LEU A 31 0.575 -4.401 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.961 -3.422 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.131 -2.228 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.524 -2.991 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.077 -0.622 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.439 -1.496 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.443 -0.399 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.236 -1.265 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.978 -1.057 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.589 -2.605 -2.193 1.00 0.00 H new ATOM 475 N SER A 32 1.877 -4.202 0.705 1.00 0.00 N ATOM 476 CA SER A 32 2.856 -3.687 1.634 1.00 0.00 C ATOM 477 C SER A 32 4.265 -3.796 1.061 1.00 0.00 C ATOM 478 O SER A 32 4.626 -3.034 0.173 1.00 0.00 O ATOM 479 CB SER A 32 2.741 -4.388 2.988 1.00 0.00 C ATOM 480 OG SER A 32 1.384 -4.534 3.377 1.00 0.00 O ATOM 0 H SER A 32 2.074 -5.139 0.352 1.00 0.00 H new ATOM 0 HA SER A 32 2.652 -2.628 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.214 -5.369 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.279 -3.816 3.744 1.00 0.00 H new ATOM 0 HG SER A 32 1.339 -4.986 4.245 1.00 0.00 H new ATOM 486 N CYS A 33 5.090 -4.646 1.633 1.00 0.00 N ATOM 487 CA CYS A 33 6.458 -4.794 1.169 1.00 0.00 C ATOM 488 C CYS A 33 6.794 -6.221 0.762 1.00 0.00 C ATOM 489 O CYS A 33 6.155 -7.165 1.210 1.00 0.00 O ATOM 490 CB CYS A 33 7.423 -4.329 2.227 1.00 0.00 C ATOM 491 SG CYS A 33 9.036 -3.847 1.567 1.00 0.00 S ATOM 0 H CYS A 33 4.841 -5.246 2.419 1.00 0.00 H new ATOM 0 HA CYS A 33 6.553 -4.172 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.988 -3.482 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.561 -5.126 2.958 1.00 0.00 H new ATOM 496 N ASP A 34 7.936 -6.359 0.102 1.00 0.00 N ATOM 497 CA ASP A 34 8.522 -7.664 -0.189 1.00 0.00 C ATOM 498 C ASP A 34 9.541 -8.024 0.880 1.00 0.00 C ATOM 499 O ASP A 34 9.411 -9.034 1.570 1.00 0.00 O ATOM 500 CB ASP A 34 9.216 -7.649 -1.556 1.00 0.00 C ATOM 501 CG ASP A 34 9.818 -8.990 -1.951 1.00 0.00 C ATOM 502 OD1 ASP A 34 9.477 -10.024 -1.333 1.00 0.00 O ATOM 503 OD2 ASP A 34 10.631 -9.019 -2.901 1.00 0.00 O ATOM 0 H ASP A 34 8.483 -5.572 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 34 7.722 -8.404 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.496 -7.346 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.004 -6.896 -1.545 1.00 0.00 H new ATOM 508 N LEU A 35 10.569 -7.194 0.987 1.00 0.00 N ATOM 509 CA LEU A 35 11.670 -7.428 1.917 1.00 0.00 C ATOM 510 C LEU A 35 11.193 -7.412 3.369 1.00 0.00 C ATOM 511 O LEU A 35 11.666 -8.198 4.193 1.00 0.00 O ATOM 512 CB LEU A 35 12.773 -6.384 1.709 1.00 0.00 C ATOM 513 CG LEU A 35 13.872 -6.373 2.773 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.546 -7.733 2.865 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.900 -5.299 2.465 1.00 0.00 C ATOM 0 H LEU A 35 10.665 -6.342 0.435 1.00 0.00 H new ATOM 0 HA LEU A 35 12.073 -8.419 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.234 -6.555 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.314 -5.396 1.675 1.00 0.00 H new ATOM 0 HG LEU A 35 13.411 -6.150 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.324 -7.703 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.807 -8.488 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.991 -7.984 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.674 -5.306 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.351 -5.495 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.414 -4.324 2.449 1.00 0.00 H new ATOM 527 N CYS A 36 10.236 -6.542 3.675 1.00 0.00 N ATOM 528 CA CYS A 36 9.674 -6.468 5.020 1.00 0.00 C ATOM 529 C CYS A 36 8.933 -7.763 5.381 1.00 0.00 C ATOM 530 O CYS A 36 8.734 -8.066 6.559 1.00 0.00 O ATOM 531 CB CYS A 36 8.737 -5.266 5.138 1.00 0.00 C ATOM 532 SG CYS A 36 9.593 -3.661 5.348 1.00 0.00 S ATOM 0 H CYS A 36 9.834 -5.879 3.012 1.00 0.00 H new ATOM 0 HA CYS A 36 10.496 -6.343 5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.113 -5.218 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.070 -5.422 5.986 1.00 0.00 H new ATOM 537 N GLY A 37 8.640 -8.576 4.370 1.00 0.00 N ATOM 538 CA GLY A 37 8.081 -9.894 4.613 1.00 0.00 C ATOM 539 C GLY A 37 6.575 -9.947 4.466 1.00 0.00 C ATOM 540 O GLY A 37 5.944 -10.926 4.862 1.00 0.00 O ATOM 0 H GLY A 37 8.780 -8.345 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.531 -10.604 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.352 -10.215 5.619 1.00 0.00 H new ATOM 544 N CYS A 38 5.988 -8.887 3.934 1.00 0.00 N ATOM 545 CA CYS A 38 4.542 -8.824 3.784 1.00 0.00 C ATOM 546 C CYS A 38 4.076 -9.572 2.534 1.00 0.00 C ATOM 547 O CYS A 38 3.586 -10.698 2.623 1.00 0.00 O ATOM 548 CB CYS A 38 4.086 -7.369 3.737 1.00 0.00 C ATOM 549 SG CYS A 38 5.096 -6.251 4.735 1.00 0.00 S ATOM 0 H CYS A 38 6.487 -8.062 3.600 1.00 0.00 H new ATOM 0 HA CYS A 38 4.090 -9.312 4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.099 -7.028 2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.052 -7.311 4.079 1.00 0.00 H new ATOM 0 HG CYS A 38 4.427 -5.164 4.981 1.00 0.00 H new ATOM 555 N ARG A 39 4.287 -8.970 1.369 1.00 0.00 N ATOM 556 CA ARG A 39 3.928 -9.592 0.101 1.00 0.00 C ATOM 557 C ARG A 39 4.705 -8.966 -1.060 1.00 0.00 C ATOM 558 O ARG A 39 5.876 -9.284 -1.244 1.00 0.00 O ATOM 559 CB ARG A 39 2.426 -9.481 -0.149 1.00 0.00 C ATOM 560 CG ARG A 39 1.916 -10.491 -1.158 1.00 0.00 C ATOM 561 CD ARG A 39 0.558 -10.098 -1.704 1.00 0.00 C ATOM 562 NE ARG A 39 -0.528 -10.645 -0.893 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.907 -11.930 -0.904 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.332 -12.797 -1.730 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.876 -12.335 -0.097 1.00 0.00 N ATOM 0 H ARG A 39 4.708 -8.045 1.277 1.00 0.00 H new ATOM 0 HA ARG A 39 4.195 -10.647 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.896 -9.618 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.195 -8.476 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.628 -10.577 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.850 -11.473 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.478 -9.011 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.461 -10.453 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.031 -10.006 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.405 -12.486 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.627 -13.773 -1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.330 -11.670 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.168 -13.312 -0.101 1.00 0.00 H new ATOM 579 N LEU A 40 4.058 -8.038 -1.789 1.00 0.00 N ATOM 580 CA LEU A 40 4.658 -7.324 -2.918 1.00 0.00 C ATOM 581 C LEU A 40 5.672 -8.160 -3.708 1.00 0.00 C ATOM 582 O LEU A 40 6.880 -8.022 -3.524 1.00 0.00 O ATOM 583 CB LEU A 40 5.303 -6.035 -2.422 1.00 0.00 C ATOM 584 CG LEU A 40 4.551 -4.772 -2.821 1.00 0.00 C ATOM 585 CD1 LEU A 40 3.347 -4.572 -1.932 1.00 0.00 C ATOM 586 CD2 LEU A 40 5.471 -3.552 -2.794 1.00 0.00 C ATOM 0 H LEU A 40 3.093 -7.764 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 40 3.850 -7.100 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.377 -6.073 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.320 -5.977 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 40 4.199 -4.892 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.821 -3.665 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.678 -5.428 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.671 -4.479 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.907 -2.665 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.868 -3.418 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.295 -3.702 -3.492 1.00 0.00 H new ATOM 598 N GLY A 41 5.188 -8.960 -4.646 1.00 0.00 N ATOM 599 CA GLY A 41 6.083 -9.737 -5.481 1.00 0.00 C ATOM 600 C GLY A 41 5.750 -9.598 -6.949 1.00 0.00 C ATOM 601 O GLY A 41 6.085 -8.583 -7.563 1.00 0.00 O ATOM 0 H GLY A 41 4.195 -9.086 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.110 -9.415 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.027 -10.787 -5.194 1.00 0.00 H new ATOM 605 N GLU A 42 5.015 -10.595 -7.454 1.00 0.00 N ATOM 606 CA GLU A 42 4.515 -10.680 -8.844 1.00 0.00 C ATOM 607 C GLU A 42 4.987 -9.545 -9.769 1.00 0.00 C ATOM 608 O GLU A 42 6.068 -9.635 -10.351 1.00 0.00 O ATOM 609 CB GLU A 42 2.983 -10.769 -8.851 1.00 0.00 C ATOM 610 CG GLU A 42 2.337 -10.502 -7.499 1.00 0.00 C ATOM 611 CD GLU A 42 2.329 -9.032 -7.165 1.00 0.00 C ATOM 612 OE1 GLU A 42 1.971 -8.232 -8.049 1.00 0.00 O ATOM 613 OE2 GLU A 42 2.733 -8.662 -6.040 1.00 0.00 O ATOM 0 H GLU A 42 4.738 -11.399 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 42 4.951 -11.590 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.592 -10.055 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.689 -11.762 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.315 -10.880 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.875 -11.048 -6.724 1.00 0.00 H new ATOM 620 N VAL A 43 4.144 -8.527 -9.972 1.00 0.00 N ATOM 621 CA VAL A 43 4.457 -7.456 -10.923 1.00 0.00 C ATOM 622 C VAL A 43 3.770 -6.136 -10.534 1.00 0.00 C ATOM 623 O VAL A 43 3.037 -6.075 -9.544 1.00 0.00 O ATOM 624 CB VAL A 43 4.043 -7.878 -12.358 1.00 0.00 C ATOM 625 CG1 VAL A 43 2.551 -7.683 -12.585 1.00 0.00 C ATOM 626 CG2 VAL A 43 4.853 -7.135 -13.411 1.00 0.00 C ATOM 0 H VAL A 43 3.248 -8.422 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 43 5.534 -7.288 -10.896 1.00 0.00 H new ATOM 0 HB VAL A 43 4.260 -8.941 -12.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.294 -7.988 -13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.992 -8.289 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.296 -6.632 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.538 -7.454 -14.404 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.690 -6.062 -13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.912 -7.356 -13.278 1.00 0.00 H new ATOM 636 N GLY A 44 4.040 -5.073 -11.288 1.00 0.00 N ATOM 637 CA GLY A 44 3.441 -3.782 -11.008 1.00 0.00 C ATOM 638 C GLY A 44 3.695 -2.779 -12.117 1.00 0.00 C ATOM 639 O GLY A 44 4.253 -3.132 -13.157 1.00 0.00 O ATOM 0 H GLY A 44 4.667 -5.085 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.367 -3.904 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.840 -3.394 -10.071 1.00 0.00 H new ATOM 643 N ARG A 45 3.307 -1.525 -11.894 1.00 0.00 N ATOM 644 CA ARG A 45 3.535 -0.466 -12.873 1.00 0.00 C ATOM 645 C ARG A 45 3.735 0.884 -12.185 1.00 0.00 C ATOM 646 O ARG A 45 4.822 1.454 -12.231 1.00 0.00 O ATOM 647 CB ARG A 45 2.375 -0.379 -13.868 1.00 0.00 C ATOM 648 CG ARG A 45 2.792 0.152 -15.235 1.00 0.00 C ATOM 649 CD ARG A 45 1.719 1.033 -15.855 1.00 0.00 C ATOM 650 NE ARG A 45 0.408 0.388 -15.839 1.00 0.00 N ATOM 651 CZ ARG A 45 -0.269 0.029 -16.927 1.00 0.00 C ATOM 652 NH1 ARG A 45 0.204 0.310 -18.135 1.00 0.00 N ATOM 653 NH2 ARG A 45 -1.429 -0.605 -16.799 1.00 0.00 N ATOM 0 H ARG A 45 2.834 -1.218 -11.044 1.00 0.00 H new ATOM 0 HA ARG A 45 4.444 -0.716 -13.420 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.934 -1.369 -13.989 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.600 0.267 -13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.716 0.721 -15.136 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.003 -0.685 -15.900 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.666 1.977 -15.312 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.994 1.271 -16.883 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.018 0.200 -14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.091 0.804 -18.233 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.320 0.032 -18.965 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.796 -0.814 -15.871 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.953 -0.883 -17.629 1.00 0.00 H new ATOM 667 N ARG A 46 2.684 1.398 -11.560 1.00 0.00 N ATOM 668 CA ARG A 46 2.748 2.693 -10.888 1.00 0.00 C ATOM 669 C ARG A 46 2.978 2.517 -9.388 1.00 0.00 C ATOM 670 O ARG A 46 2.033 2.530 -8.601 1.00 0.00 O ATOM 671 CB ARG A 46 1.462 3.492 -11.129 1.00 0.00 C ATOM 672 CG ARG A 46 0.681 3.048 -12.356 1.00 0.00 C ATOM 673 CD ARG A 46 -0.818 3.126 -12.120 1.00 0.00 C ATOM 674 NE ARG A 46 -1.482 4.041 -13.051 1.00 0.00 N ATOM 675 CZ ARG A 46 -2.189 3.649 -14.113 1.00 0.00 C ATOM 676 NH1 ARG A 46 -2.231 2.367 -14.460 1.00 0.00 N ATOM 677 NH2 ARG A 46 -2.836 4.542 -14.849 1.00 0.00 N ATOM 0 H ARG A 46 1.775 0.939 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 46 3.589 3.245 -11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.822 3.404 -10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.716 4.547 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.950 3.675 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.957 2.026 -12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.251 2.131 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.006 3.453 -11.097 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.399 5.043 -12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.720 1.674 -13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.774 2.076 -15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.794 5.531 -14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.376 4.240 -15.660 1.00 0.00 H new ATOM 691 N LEU A 47 4.240 2.373 -9.010 1.00 0.00 N ATOM 692 CA LEU A 47 4.641 2.216 -7.616 1.00 0.00 C ATOM 693 C LEU A 47 6.137 2.003 -7.562 1.00 0.00 C ATOM 694 O LEU A 47 6.707 1.355 -8.443 1.00 0.00 O ATOM 695 CB LEU A 47 3.934 1.033 -6.940 1.00 0.00 C ATOM 696 CG LEU A 47 4.120 0.968 -5.422 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.796 1.191 -4.711 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.733 -0.363 -5.018 1.00 0.00 C ATOM 0 H LEU A 47 5.021 2.362 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 47 4.356 3.120 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.868 1.088 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.303 0.106 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 47 4.803 1.763 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.949 1.141 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.401 2.172 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.087 0.420 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.858 -0.392 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.076 -1.175 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.704 -0.477 -5.499 1.00 0.00 H new ATOM 710 N TYR A 48 6.784 2.560 -6.554 1.00 0.00 N ATOM 711 CA TYR A 48 8.215 2.414 -6.441 1.00 0.00 C ATOM 712 C TYR A 48 8.582 1.069 -5.825 1.00 0.00 C ATOM 713 O TYR A 48 8.690 0.930 -4.605 1.00 0.00 O ATOM 714 CB TYR A 48 8.837 3.550 -5.633 1.00 0.00 C ATOM 715 CG TYR A 48 10.324 3.383 -5.451 1.00 0.00 C ATOM 716 CD1 TYR A 48 11.175 3.390 -6.549 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.872 3.191 -4.192 1.00 0.00 C ATOM 718 CE1 TYR A 48 12.536 3.215 -6.393 1.00 0.00 C ATOM 719 CE2 TYR A 48 12.231 3.012 -4.030 1.00 0.00 C ATOM 720 CZ TYR A 48 13.059 3.025 -5.133 1.00 0.00 C ATOM 721 OH TYR A 48 14.415 2.848 -4.976 1.00 0.00 O ATOM 0 H TYR A 48 6.345 3.109 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 48 8.621 2.458 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.640 4.498 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.358 3.600 -4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.767 3.534 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.227 3.181 -3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.187 3.227 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.644 2.862 -3.044 1.00 0.00 H new ATOM 0 HH TYR A 48 14.621 2.728 -4.025 1.00 0.00 H new ATOM 731 N TYR A 49 8.881 0.121 -6.689 1.00 0.00 N ATOM 732 CA TYR A 49 9.449 -1.139 -6.272 1.00 0.00 C ATOM 733 C TYR A 49 10.766 -1.326 -7.013 1.00 0.00 C ATOM 734 O TYR A 49 11.042 -0.609 -7.975 1.00 0.00 O ATOM 735 CB TYR A 49 8.477 -2.296 -6.527 1.00 0.00 C ATOM 736 CG TYR A 49 8.080 -2.496 -7.973 1.00 0.00 C ATOM 737 CD1 TYR A 49 8.920 -3.174 -8.850 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.865 -2.020 -8.459 1.00 0.00 C ATOM 739 CE1 TYR A 49 8.563 -3.368 -10.169 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.504 -2.213 -9.777 1.00 0.00 C ATOM 741 CZ TYR A 49 7.357 -2.885 -10.628 1.00 0.00 C ATOM 742 OH TYR A 49 6.995 -3.080 -11.940 1.00 0.00 O ATOM 0 H TYR A 49 8.737 0.204 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 49 9.635 -1.133 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.930 -3.217 -6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.575 -2.128 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 49 9.866 -3.554 -8.494 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.196 -1.492 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.226 -3.896 -10.838 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.558 -1.840 -10.141 1.00 0.00 H new ATOM 0 HH TYR A 49 7.393 -3.913 -12.269 1.00 0.00 H new ATOM 752 N LYS A 50 11.621 -2.192 -6.511 1.00 0.00 N ATOM 753 CA LYS A 50 12.948 -2.351 -7.077 1.00 0.00 C ATOM 754 C LYS A 50 12.917 -3.244 -8.309 1.00 0.00 C ATOM 755 O LYS A 50 11.908 -3.894 -8.570 1.00 0.00 O ATOM 756 CB LYS A 50 13.883 -2.919 -6.019 1.00 0.00 C ATOM 757 CG LYS A 50 14.927 -1.924 -5.544 1.00 0.00 C ATOM 758 CD LYS A 50 16.336 -2.449 -5.754 1.00 0.00 C ATOM 759 CE LYS A 50 17.360 -1.330 -5.693 1.00 0.00 C ATOM 760 NZ LYS A 50 18.617 -1.769 -5.038 1.00 0.00 N ATOM 0 H LYS A 50 11.423 -2.797 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 50 13.316 -1.375 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.294 -3.253 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.386 -3.798 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.805 -0.983 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.772 -1.710 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.565 -3.195 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.399 -2.949 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.579 -0.982 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.942 -0.484 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.291 -0.978 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.413 -2.078 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.029 -2.560 -5.573 1.00 0.00 H new ATOM 774 N LEU A 51 14.018 -3.209 -9.072 1.00 0.00 N ATOM 775 CA LEU A 51 14.181 -3.937 -10.341 1.00 0.00 C ATOM 776 C LEU A 51 13.316 -5.189 -10.420 1.00 0.00 C ATOM 777 O LEU A 51 12.398 -5.268 -11.236 1.00 0.00 O ATOM 778 CB LEU A 51 15.652 -4.319 -10.535 1.00 0.00 C ATOM 779 CG LEU A 51 16.558 -4.043 -9.332 1.00 0.00 C ATOM 780 CD1 LEU A 51 16.756 -5.305 -8.508 1.00 0.00 C ATOM 781 CD2 LEU A 51 17.895 -3.489 -9.790 1.00 0.00 C ATOM 0 H LEU A 51 14.840 -2.661 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 51 13.853 -3.267 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.707 -5.381 -10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.042 -3.776 -11.396 1.00 0.00 H new ATOM 0 HG LEU A 51 16.074 -3.297 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.403 -5.087 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.790 -5.659 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.217 -6.075 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.526 -3.299 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.384 -4.212 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.736 -2.558 -10.334 1.00 0.00 H new ATOM 793 N GLY A 52 13.565 -6.124 -9.521 1.00 0.00 N ATOM 794 CA GLY A 52 12.767 -7.331 -9.467 1.00 0.00 C ATOM 795 C GLY A 52 12.392 -7.697 -8.050 1.00 0.00 C ATOM 796 O GLY A 52 12.238 -8.874 -7.723 1.00 0.00 O ATOM 0 H GLY A 52 14.308 -6.070 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.861 -7.194 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.322 -8.153 -9.919 1.00 0.00 H new ATOM 800 N ARG A 53 12.229 -6.685 -7.207 1.00 0.00 N ATOM 801 CA ARG A 53 11.842 -6.904 -5.821 1.00 0.00 C ATOM 802 C ARG A 53 11.058 -5.711 -5.317 1.00 0.00 C ATOM 803 O ARG A 53 11.586 -4.608 -5.217 1.00 0.00 O ATOM 804 CB ARG A 53 13.061 -7.146 -4.917 1.00 0.00 C ATOM 805 CG ARG A 53 14.404 -6.829 -5.555 1.00 0.00 C ATOM 806 CD ARG A 53 15.553 -7.174 -4.623 1.00 0.00 C ATOM 807 NE ARG A 53 16.524 -8.063 -5.256 1.00 0.00 N ATOM 808 CZ ARG A 53 17.275 -8.946 -4.590 1.00 0.00 C ATOM 809 NH1 ARG A 53 17.137 -9.079 -3.275 1.00 0.00 N ATOM 810 NH2 ARG A 53 18.157 -9.695 -5.242 1.00 0.00 N ATOM 0 H ARG A 53 12.359 -5.705 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 53 11.221 -7.799 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.952 -6.543 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.061 -8.190 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.508 -7.387 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.446 -5.770 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.052 -6.257 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.160 -7.648 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 53 16.636 -8.007 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.458 -8.507 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.710 -9.753 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.262 -9.597 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.729 -10.368 -4.733 1.00 0.00 H new ATOM 824 N LYS A 54 9.789 -5.920 -5.046 1.00 0.00 N ATOM 825 CA LYS A 54 8.922 -4.844 -4.606 1.00 0.00 C ATOM 826 C LYS A 54 9.145 -4.528 -3.128 1.00 0.00 C ATOM 827 O LYS A 54 8.279 -4.761 -2.292 1.00 0.00 O ATOM 828 CB LYS A 54 7.462 -5.210 -4.870 1.00 0.00 C ATOM 829 CG LYS A 54 7.206 -5.771 -6.261 1.00 0.00 C ATOM 830 CD LYS A 54 6.029 -5.083 -6.937 1.00 0.00 C ATOM 831 CE LYS A 54 4.697 -5.554 -6.374 1.00 0.00 C ATOM 832 NZ LYS A 54 4.146 -6.697 -7.143 1.00 0.00 N ATOM 0 H LYS A 54 9.331 -6.828 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 54 9.167 -3.947 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.142 -5.943 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.844 -4.323 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.100 -5.649 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.011 -6.841 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.116 -4.004 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.060 -5.280 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.826 -5.846 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.984 -4.729 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.523 -7.260 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.602 -6.340 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.926 -7.293 -7.485 1.00 0.00 H new ATOM 846 N LEU A 55 10.299 -3.956 -2.824 1.00 0.00 N ATOM 847 CA LEU A 55 10.630 -3.568 -1.458 1.00 0.00 C ATOM 848 C LEU A 55 10.379 -2.076 -1.274 1.00 0.00 C ATOM 849 O LEU A 55 9.988 -1.396 -2.226 1.00 0.00 O ATOM 850 CB LEU A 55 12.081 -3.957 -1.132 1.00 0.00 C ATOM 851 CG LEU A 55 13.139 -2.850 -1.268 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.498 -3.362 -0.816 1.00 0.00 C ATOM 853 CD2 LEU A 55 13.221 -2.346 -2.697 1.00 0.00 C ATOM 0 H LEU A 55 11.027 -3.748 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 55 9.989 -4.102 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.111 -4.333 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.367 -4.783 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 55 12.841 -2.018 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.238 -2.568 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.441 -3.674 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.790 -4.212 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.977 -1.564 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.491 -3.169 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.254 -1.942 -2.997 1.00 0.00 H new ATOM 865 N CYS A 56 10.496 -1.577 -0.050 1.00 0.00 N ATOM 866 CA CYS A 56 10.174 -0.184 0.198 1.00 0.00 C ATOM 867 C CYS A 56 11.385 0.710 0.058 1.00 0.00 C ATOM 868 O CYS A 56 12.528 0.260 0.042 1.00 0.00 O ATOM 869 CB CYS A 56 9.525 0.033 1.574 1.00 0.00 C ATOM 870 SG CYS A 56 10.475 -0.573 3.013 1.00 0.00 S ATOM 0 H CYS A 56 10.804 -2.104 0.767 1.00 0.00 H new ATOM 0 HA CYS A 56 9.447 0.091 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.346 1.100 1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 56 8.551 -0.456 1.575 1.00 0.00 H new ATOM 875 N ARG A 57 11.110 1.996 0.060 1.00 0.00 N ATOM 876 CA ARG A 57 12.157 3.011 0.020 1.00 0.00 C ATOM 877 C ARG A 57 12.800 3.154 1.398 1.00 0.00 C ATOM 878 O ARG A 57 13.705 3.965 1.599 1.00 0.00 O ATOM 879 CB ARG A 57 11.571 4.355 -0.435 1.00 0.00 C ATOM 880 CG ARG A 57 12.607 5.441 -0.697 1.00 0.00 C ATOM 881 CD ARG A 57 13.387 5.175 -1.970 1.00 0.00 C ATOM 882 NE ARG A 57 14.625 5.954 -2.050 1.00 0.00 N ATOM 883 CZ ARG A 57 15.008 6.621 -3.138 1.00 0.00 C ATOM 884 NH1 ARG A 57 14.184 6.754 -4.169 1.00 0.00 N ATOM 885 NH2 ARG A 57 16.199 7.199 -3.184 1.00 0.00 N ATOM 0 H ARG A 57 10.163 2.373 0.089 1.00 0.00 H new ATOM 0 HA ARG A 57 12.921 2.703 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.993 4.195 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.876 4.710 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.110 6.408 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.295 5.499 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.627 4.113 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.760 5.408 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 57 15.227 5.988 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.251 6.344 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.484 7.266 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 57 16.828 7.135 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.487 7.708 -4.020 1.00 0.00 H new ATOM 899 N ARG A 58 12.284 2.399 2.362 1.00 0.00 N ATOM 900 CA ARG A 58 12.739 2.506 3.739 1.00 0.00 C ATOM 901 C ARG A 58 13.710 1.388 4.093 1.00 0.00 C ATOM 902 O ARG A 58 14.810 1.655 4.572 1.00 0.00 O ATOM 903 CB ARG A 58 11.549 2.512 4.706 1.00 0.00 C ATOM 904 CG ARG A 58 10.240 2.975 4.080 1.00 0.00 C ATOM 905 CD ARG A 58 10.314 4.421 3.607 1.00 0.00 C ATOM 906 NE ARG A 58 9.037 4.887 3.066 1.00 0.00 N ATOM 907 CZ ARG A 58 8.038 5.365 3.806 1.00 0.00 C ATOM 908 NH1 ARG A 58 8.173 5.483 5.120 1.00 0.00 N ATOM 909 NH2 ARG A 58 6.913 5.752 3.222 1.00 0.00 N ATOM 0 H ARG A 58 11.550 1.707 2.213 1.00 0.00 H new ATOM 0 HA ARG A 58 13.270 3.453 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.413 1.506 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.784 3.160 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.993 2.330 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.434 2.872 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.610 5.060 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.087 4.514 2.844 1.00 0.00 H new ATOM 0 HE ARG A 58 8.903 4.843 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.046 5.207 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.404 5.850 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.814 5.683 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.146 6.119 3.785 1.00 0.00 H new ATOM 923 N ASP A 59 13.341 0.139 3.815 1.00 0.00 N ATOM 924 CA ASP A 59 14.244 -0.976 4.105 1.00 0.00 C ATOM 925 C ASP A 59 15.385 -1.015 3.096 1.00 0.00 C ATOM 926 O ASP A 59 16.487 -1.462 3.414 1.00 0.00 O ATOM 927 CB ASP A 59 13.512 -2.329 4.170 1.00 0.00 C ATOM 928 CG ASP A 59 12.789 -2.729 2.895 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.166 -2.257 1.809 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.861 -3.551 2.989 1.00 0.00 O ATOM 0 H ASP A 59 12.447 -0.124 3.400 1.00 0.00 H new ATOM 0 HA ASP A 59 14.661 -0.803 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.236 -3.105 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.789 -2.295 4.985 1.00 0.00 H new ATOM 935 N TYR A 60 15.154 -0.420 1.933 1.00 0.00 N ATOM 936 CA TYR A 60 16.195 -0.252 0.932 1.00 0.00 C ATOM 937 C TYR A 60 17.204 0.776 1.435 1.00 0.00 C ATOM 938 O TYR A 60 18.409 0.649 1.216 1.00 0.00 O ATOM 939 CB TYR A 60 15.569 0.188 -0.407 1.00 0.00 C ATOM 940 CG TYR A 60 16.345 1.252 -1.155 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.205 2.600 -0.838 1.00 0.00 C ATOM 942 CD2 TYR A 60 17.217 0.905 -2.179 1.00 0.00 C ATOM 943 CE1 TYR A 60 16.915 3.567 -1.518 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.933 1.870 -2.861 1.00 0.00 C ATOM 945 CZ TYR A 60 17.777 3.200 -2.527 1.00 0.00 C ATOM 946 OH TYR A 60 18.493 4.168 -3.195 1.00 0.00 O ATOM 0 H TYR A 60 14.246 -0.043 1.660 1.00 0.00 H new ATOM 0 HA TYR A 60 16.711 -1.197 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.469 -0.687 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.562 0.560 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.530 2.893 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.337 -0.135 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.795 4.609 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.611 1.585 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 60 19.363 4.290 -2.760 1.00 0.00 H new ATOM 956 N LEU A 61 16.694 1.757 2.174 1.00 0.00 N ATOM 957 CA LEU A 61 17.514 2.811 2.756 1.00 0.00 C ATOM 958 C LEU A 61 18.461 2.246 3.812 1.00 0.00 C ATOM 959 O LEU A 61 19.489 2.849 4.126 1.00 0.00 O ATOM 960 CB LEU A 61 16.602 3.879 3.375 1.00 0.00 C ATOM 961 CG LEU A 61 16.936 5.335 3.032 1.00 0.00 C ATOM 962 CD1 LEU A 61 18.175 5.798 3.780 1.00 0.00 C ATOM 963 CD2 LEU A 61 17.117 5.502 1.534 1.00 0.00 C ATOM 0 H LEU A 61 15.700 1.842 2.385 1.00 0.00 H new ATOM 0 HA LEU A 61 18.121 3.261 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.578 3.679 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.630 3.767 4.459 1.00 0.00 H new ATOM 0 HG LEU A 61 16.100 5.959 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.391 6.834 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.002 5.722 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.022 5.170 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.354 6.542 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.931 4.863 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.196 5.221 1.023 1.00 0.00 H new ATOM 975 N ARG A 62 18.140 1.055 4.313 1.00 0.00 N ATOM 976 CA ARG A 62 18.981 0.385 5.296 1.00 0.00 C ATOM 977 C ARG A 62 20.316 -0.023 4.683 1.00 0.00 C ATOM 978 O ARG A 62 21.314 -0.174 5.384 1.00 0.00 O ATOM 979 CB ARG A 62 18.287 -0.854 5.851 1.00 0.00 C ATOM 980 CG ARG A 62 17.832 -0.696 7.290 1.00 0.00 C ATOM 981 CD ARG A 62 16.431 -0.124 7.347 1.00 0.00 C ATOM 982 NE ARG A 62 16.422 1.299 7.673 1.00 0.00 N ATOM 983 CZ ARG A 62 15.315 2.042 7.724 1.00 0.00 C ATOM 984 NH1 ARG A 62 14.118 1.478 7.625 1.00 0.00 N ATOM 985 NH2 ARG A 62 15.399 3.349 7.905 1.00 0.00 N ATOM 0 H ARG A 62 17.302 0.535 4.052 1.00 0.00 H new ATOM 0 HA ARG A 62 19.159 1.091 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.423 -1.087 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.967 -1.703 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.857 -1.663 7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.520 -0.041 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.940 -0.277 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.850 -0.668 8.092 1.00 0.00 H new ATOM 0 HE ARG A 62 17.314 1.752 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.038 0.468 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.278 2.055 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.312 3.792 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.551 3.914 7.943 1.00 0.00 H new ATOM 999 N LEU A 63 20.307 -0.260 3.378 1.00 0.00 N ATOM 1000 CA LEU A 63 21.499 -0.730 2.682 1.00 0.00 C ATOM 1001 C LEU A 63 21.949 0.266 1.616 1.00 0.00 C ATOM 1002 O LEU A 63 23.065 0.787 1.670 1.00 0.00 O ATOM 1003 CB LEU A 63 21.241 -2.103 2.043 1.00 0.00 C ATOM 1004 CG LEU A 63 19.777 -2.419 1.716 1.00 0.00 C ATOM 1005 CD1 LEU A 63 19.643 -2.896 0.282 1.00 0.00 C ATOM 1006 CD2 LEU A 63 19.227 -3.462 2.678 1.00 0.00 C ATOM 0 H LEU A 63 19.490 -0.135 2.780 1.00 0.00 H new ATOM 0 HA LEU A 63 22.297 -0.824 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.822 -2.170 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 21.618 -2.873 2.716 1.00 0.00 H new ATOM 0 HG LEU A 63 19.195 -1.505 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 63 18.597 -3.116 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.996 -2.118 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.239 -3.798 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 63 18.187 -3.673 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 63 19.813 -4.378 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 63 19.287 -3.083 3.698 1.00 0.00 H new ATOM 1018 N GLY A 64 21.081 0.531 0.651 1.00 0.00 N ATOM 1019 CA GLY A 64 21.426 1.426 -0.439 1.00 0.00 C ATOM 1020 C GLY A 64 21.058 2.869 -0.161 1.00 0.00 C ATOM 1021 O GLY A 64 20.937 3.674 -1.087 1.00 0.00 O ATOM 0 H GLY A 64 20.140 0.141 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.497 1.361 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.920 1.096 -1.346 1.00 0.00 H new ATOM 1025 N GLY A 65 20.920 3.211 1.111 1.00 0.00 N ATOM 1026 CA GLY A 65 20.615 4.573 1.471 1.00 0.00 C ATOM 1027 C GLY A 65 21.822 5.291 2.022 1.00 0.00 C ATOM 1028 O GLY A 65 22.761 5.597 1.288 1.00 0.00 O ATOM 0 H GLY A 65 21.014 2.568 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.243 5.106 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.816 4.583 2.213 1.00 0.00 H new ATOM 1032 N SER A 66 21.813 5.525 3.322 1.00 0.00 N ATOM 1033 CA SER A 66 22.913 6.203 3.983 1.00 0.00 C ATOM 1034 C SER A 66 23.704 5.229 4.853 1.00 0.00 C ATOM 1035 O SER A 66 24.492 4.427 4.347 1.00 0.00 O ATOM 1036 CB SER A 66 22.372 7.358 4.828 1.00 0.00 C ATOM 1037 OG SER A 66 21.037 7.100 5.235 1.00 0.00 O ATOM 0 H SER A 66 21.051 5.254 3.944 1.00 0.00 H new ATOM 0 HA SER A 66 23.588 6.601 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.004 7.500 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 66 22.410 8.284 4.254 1.00 0.00 H new ATOM 0 HG SER A 66 20.931 7.340 6.179 1.00 0.00 H new ATOM 1043 N GLY A 67 23.479 5.289 6.159 1.00 0.00 N ATOM 1044 CA GLY A 67 24.170 4.404 7.072 1.00 0.00 C ATOM 1045 C GLY A 67 23.305 3.233 7.489 1.00 0.00 C ATOM 1046 O GLY A 67 23.813 2.207 7.939 1.00 0.00 O ATOM 0 H GLY A 67 22.828 5.937 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.079 4.033 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 67 24.476 4.962 7.957 1.00 0.00 H new ATOM 1050 N GLY A 68 21.998 3.377 7.313 1.00 0.00 N ATOM 1051 CA GLY A 68 21.080 2.310 7.660 1.00 0.00 C ATOM 1052 C GLY A 68 20.002 2.774 8.612 1.00 0.00 C ATOM 1053 O GLY A 68 18.981 2.103 8.777 1.00 0.00 O ATOM 0 H GLY A 68 21.557 4.215 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.618 1.920 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.635 1.489 8.114 1.00 0.00 H new ATOM 1057 N HIS A 69 20.228 3.933 9.225 1.00 0.00 N ATOM 1058 CA HIS A 69 19.278 4.517 10.173 1.00 0.00 C ATOM 1059 C HIS A 69 17.941 4.828 9.513 1.00 0.00 C ATOM 1060 O HIS A 69 17.747 4.597 8.317 1.00 0.00 O ATOM 1061 CB HIS A 69 19.840 5.802 10.794 1.00 0.00 C ATOM 1062 CG HIS A 69 20.632 6.649 9.843 1.00 0.00 C ATOM 1063 ND1 HIS A 69 21.997 6.533 9.741 1.00 0.00 N ATOM 1064 CD2 HIS A 69 20.205 7.594 8.972 1.00 0.00 C ATOM 1065 CE1 HIS A 69 22.367 7.403 8.817 1.00 0.00 C ATOM 1066 NE2 HIS A 69 21.315 8.067 8.322 1.00 0.00 N ATOM 0 H HIS A 69 21.069 4.492 9.081 1.00 0.00 H new ATOM 0 HA HIS A 69 19.119 3.774 10.954 1.00 0.00 H new ATOM 0 HB2 HIS A 69 19.013 6.394 11.188 1.00 0.00 H new ATOM 0 HB3 HIS A 69 20.473 5.536 11.640 1.00 0.00 H new ATOM 0 HD2 HIS A 69 19.185 7.914 8.819 1.00 0.00 H new ATOM 0 HE1 HIS A 69 23.388 7.558 8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 69 21.336 8.787 7.600 1.00 0.00 H new ATOM 1074 N MET A 70 17.039 5.411 10.283 1.00 0.00 N ATOM 1075 CA MET A 70 15.734 5.788 9.767 1.00 0.00 C ATOM 1076 C MET A 70 15.779 7.189 9.179 1.00 0.00 C ATOM 1077 O MET A 70 15.867 7.350 7.962 1.00 0.00 O ATOM 1078 CB MET A 70 14.677 5.710 10.869 1.00 0.00 C ATOM 1079 CG MET A 70 14.458 4.304 11.401 1.00 0.00 C ATOM 1080 SD MET A 70 12.739 3.771 11.280 1.00 0.00 S ATOM 1081 CE MET A 70 12.956 2.025 10.945 1.00 0.00 C ATOM 0 H MET A 70 17.186 5.634 11.268 1.00 0.00 H new ATOM 0 HA MET A 70 15.463 5.087 8.977 1.00 0.00 H new ATOM 0 HB2 MET A 70 14.974 6.359 11.693 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.733 6.095 10.484 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.089 3.609 10.848 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.774 4.261 12.443 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.039 1.620 10.516 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.777 1.889 10.241 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.184 1.502 11.874 1.00 0.00 H new ATOM 1091 N GLY A 71 15.820 8.189 10.052 1.00 0.00 N ATOM 1092 CA GLY A 71 15.921 9.571 9.615 1.00 0.00 C ATOM 1093 C GLY A 71 14.659 10.071 8.925 1.00 0.00 C ATOM 1094 O GLY A 71 14.026 11.018 9.391 1.00 0.00 O ATOM 0 H GLY A 71 15.785 8.066 11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.132 10.204 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.765 9.670 8.932 1.00 0.00 H new ATOM 1098 N SER A 72 14.290 9.402 7.832 1.00 0.00 N ATOM 1099 CA SER A 72 13.093 9.716 7.059 1.00 0.00 C ATOM 1100 C SER A 72 13.132 11.134 6.477 1.00 0.00 C ATOM 1101 O SER A 72 12.741 12.100 7.127 1.00 0.00 O ATOM 1102 CB SER A 72 11.842 9.518 7.917 1.00 0.00 C ATOM 1103 OG SER A 72 11.990 8.394 8.769 1.00 0.00 O ATOM 0 H SER A 72 14.822 8.617 7.456 1.00 0.00 H new ATOM 0 HA SER A 72 13.060 9.027 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.660 10.411 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.972 9.381 7.274 1.00 0.00 H new ATOM 0 HG SER A 72 11.181 8.285 9.311 1.00 0.00 H new ATOM 1109 N GLY A 73 13.551 11.242 5.220 1.00 0.00 N ATOM 1110 CA GLY A 73 13.520 12.520 4.540 1.00 0.00 C ATOM 1111 C GLY A 73 14.658 12.713 3.563 1.00 0.00 C ATOM 1112 O GLY A 73 14.553 12.345 2.392 1.00 0.00 O ATOM 0 H GLY A 73 13.911 10.467 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.574 12.616 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.550 13.318 5.282 1.00 0.00 H new ATOM 1116 N GLY A 74 15.725 13.331 4.036 1.00 0.00 N ATOM 1117 CA GLY A 74 16.859 13.615 3.192 1.00 0.00 C ATOM 1118 C GLY A 74 17.838 14.523 3.896 1.00 0.00 C ATOM 1119 O GLY A 74 18.022 14.408 5.108 1.00 0.00 O ATOM 0 H GLY A 74 15.825 13.644 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.354 12.684 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.522 14.084 2.268 1.00 0.00 H new ATOM 1123 N ASP A 75 18.368 15.498 3.179 1.00 0.00 N ATOM 1124 CA ASP A 75 19.225 16.500 3.793 1.00 0.00 C ATOM 1125 C ASP A 75 18.369 17.581 4.433 1.00 0.00 C ATOM 1126 O ASP A 75 17.315 17.938 3.907 1.00 0.00 O ATOM 1127 CB ASP A 75 20.174 17.120 2.764 1.00 0.00 C ATOM 1128 CG ASP A 75 20.947 18.298 3.330 1.00 0.00 C ATOM 1129 OD1 ASP A 75 21.619 18.132 4.371 1.00 0.00 O ATOM 1130 OD2 ASP A 75 20.884 19.396 2.743 1.00 0.00 O ATOM 0 H ASP A 75 18.222 15.618 2.177 1.00 0.00 H new ATOM 0 HA ASP A 75 19.830 16.014 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.875 16.361 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.602 17.447 1.896 1.00 0.00 H new ATOM 1135 N VAL A 76 18.794 18.068 5.587 1.00 0.00 N ATOM 1136 CA VAL A 76 18.040 19.086 6.297 1.00 0.00 C ATOM 1137 C VAL A 76 18.269 20.456 5.676 1.00 0.00 C ATOM 1138 O VAL A 76 19.264 21.127 5.963 1.00 0.00 O ATOM 1139 CB VAL A 76 18.405 19.128 7.795 1.00 0.00 C ATOM 1140 CG1 VAL A 76 17.520 20.118 8.538 1.00 0.00 C ATOM 1141 CG2 VAL A 76 18.289 17.743 8.411 1.00 0.00 C ATOM 0 H VAL A 76 19.654 17.776 6.050 1.00 0.00 H new ATOM 0 HA VAL A 76 16.986 18.822 6.211 1.00 0.00 H new ATOM 0 HB VAL A 76 19.439 19.461 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.795 20.131 9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.654 21.114 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.477 19.819 8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 76 18.550 17.792 9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.266 17.383 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.968 17.060 7.901 1.00 0.00 H new ATOM 1151 N MET A 77 17.371 20.839 4.783 1.00 0.00 N ATOM 1152 CA MET A 77 17.450 22.126 4.107 1.00 0.00 C ATOM 1153 C MET A 77 16.612 23.150 4.855 1.00 0.00 C ATOM 1154 O MET A 77 15.833 22.786 5.736 1.00 0.00 O ATOM 1155 CB MET A 77 16.949 22.002 2.669 1.00 0.00 C ATOM 1156 CG MET A 77 17.065 20.599 2.117 1.00 0.00 C ATOM 1157 SD MET A 77 15.824 20.237 0.861 1.00 0.00 S ATOM 1158 CE MET A 77 16.651 20.820 -0.619 1.00 0.00 C ATOM 0 H MET A 77 16.570 20.271 4.507 1.00 0.00 H new ATOM 0 HA MET A 77 18.490 22.451 4.090 1.00 0.00 H new ATOM 0 HB2 MET A 77 15.907 22.318 2.626 1.00 0.00 H new ATOM 0 HB3 MET A 77 17.515 22.683 2.034 1.00 0.00 H new ATOM 0 HG2 MET A 77 18.058 20.463 1.689 1.00 0.00 H new ATOM 0 HG3 MET A 77 16.968 19.883 2.933 1.00 0.00 H new ATOM 0 HE1 MET A 77 16.005 20.663 -1.483 1.00 0.00 H new ATOM 0 HE2 MET A 77 16.870 21.883 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 77 17.582 20.269 -0.757 1.00 0.00 H new ATOM 1168 N VAL A 78 16.680 24.409 4.437 1.00 0.00 N ATOM 1169 CA VAL A 78 15.844 25.446 5.038 1.00 0.00 C ATOM 1170 C VAL A 78 14.389 25.251 4.629 1.00 0.00 C ATOM 1171 O VAL A 78 13.470 25.691 5.318 1.00 0.00 O ATOM 1172 CB VAL A 78 16.303 26.867 4.651 1.00 0.00 C ATOM 1173 CG1 VAL A 78 17.716 27.128 5.147 1.00 0.00 C ATOM 1174 CG2 VAL A 78 16.214 27.078 3.147 1.00 0.00 C ATOM 0 H VAL A 78 17.297 24.736 3.693 1.00 0.00 H new ATOM 0 HA VAL A 78 15.943 25.349 6.119 1.00 0.00 H new ATOM 0 HB VAL A 78 15.633 27.580 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 78 18.021 28.135 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 78 17.744 27.032 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 78 18.398 26.404 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 78 16.543 28.088 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.852 26.355 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 78 15.183 26.943 2.821 1.00 0.00 H new ATOM 1184 N VAL A 79 14.194 24.496 3.559 1.00 0.00 N ATOM 1185 CA VAL A 79 12.862 24.134 3.098 1.00 0.00 C ATOM 1186 C VAL A 79 12.656 22.632 3.250 1.00 0.00 C ATOM 1187 O VAL A 79 11.871 22.021 2.522 1.00 0.00 O ATOM 1188 CB VAL A 79 12.618 24.526 1.622 1.00 0.00 C ATOM 1189 CG1 VAL A 79 11.347 25.348 1.493 1.00 0.00 C ATOM 1190 CG2 VAL A 79 13.807 25.282 1.040 1.00 0.00 C ATOM 0 H VAL A 79 14.950 24.118 2.988 1.00 0.00 H new ATOM 0 HA VAL A 79 12.151 24.686 3.712 1.00 0.00 H new ATOM 0 HB VAL A 79 12.499 23.606 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.191 25.615 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.498 24.764 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.439 26.256 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.600 25.541 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.976 26.193 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.696 24.653 1.087 1.00 0.00 H new ATOM 1200 N GLY A 80 13.399 22.037 4.179 1.00 0.00 N ATOM 1201 CA GLY A 80 13.323 20.608 4.394 1.00 0.00 C ATOM 1202 C GLY A 80 11.980 20.182 4.946 1.00 0.00 C ATOM 1203 O GLY A 80 11.318 19.313 4.373 1.00 0.00 O ATOM 0 H GLY A 80 14.055 22.525 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.507 20.091 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.110 20.304 5.084 1.00 0.00 H new ATOM 1207 N GLU A 81 11.566 20.830 6.038 1.00 0.00 N ATOM 1208 CA GLU A 81 10.270 20.565 6.667 1.00 0.00 C ATOM 1209 C GLU A 81 10.183 19.110 7.164 1.00 0.00 C ATOM 1210 O GLU A 81 11.141 18.348 7.014 1.00 0.00 O ATOM 1211 CB GLU A 81 9.145 20.885 5.672 1.00 0.00 C ATOM 1212 CG GLU A 81 9.105 22.347 5.255 1.00 0.00 C ATOM 1213 CD GLU A 81 8.495 23.243 6.312 1.00 0.00 C ATOM 1214 OE1 GLU A 81 7.910 22.718 7.283 1.00 0.00 O ATOM 1215 OE2 GLU A 81 8.582 24.480 6.172 1.00 0.00 O ATOM 0 H GLU A 81 12.116 21.549 6.508 1.00 0.00 H new ATOM 0 HA GLU A 81 10.159 21.208 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.268 20.265 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.188 20.616 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.118 22.686 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.533 22.441 4.332 1.00 0.00 H new ATOM 1222 N PRO A 82 9.087 18.739 7.869 1.00 0.00 N ATOM 1223 CA PRO A 82 8.911 17.397 8.442 1.00 0.00 C ATOM 1224 C PRO A 82 9.382 16.272 7.530 1.00 0.00 C ATOM 1225 O PRO A 82 10.157 15.406 7.940 1.00 0.00 O ATOM 1226 CB PRO A 82 7.401 17.328 8.610 1.00 0.00 C ATOM 1227 CG PRO A 82 7.020 18.711 9.001 1.00 0.00 C ATOM 1228 CD PRO A 82 7.974 19.627 8.270 1.00 0.00 C ATOM 0 HA PRO A 82 9.495 17.263 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.910 17.025 7.685 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.117 16.604 9.374 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.987 18.924 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.097 18.847 10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.500 20.088 7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.321 20.437 8.912 1.00 0.00 H new ATOM 1236 N THR A 83 8.855 16.276 6.320 1.00 0.00 N ATOM 1237 CA THR A 83 9.127 15.248 5.317 1.00 0.00 C ATOM 1238 C THR A 83 10.614 14.913 5.189 1.00 0.00 C ATOM 1239 O THR A 83 10.976 13.742 5.110 1.00 0.00 O ATOM 1240 CB THR A 83 8.594 15.692 3.945 1.00 0.00 C ATOM 1241 OG1 THR A 83 7.893 16.936 4.081 1.00 0.00 O ATOM 1242 CG2 THR A 83 7.664 14.642 3.358 1.00 0.00 C ATOM 0 H THR A 83 8.216 17.002 5.996 1.00 0.00 H new ATOM 0 HA THR A 83 8.615 14.347 5.655 1.00 0.00 H new ATOM 0 HB THR A 83 9.440 15.818 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.555 17.219 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.300 14.980 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.205 13.704 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.819 14.489 4.029 1.00 0.00 H new ATOM 1250 N LEU A 84 11.465 15.933 5.104 1.00 0.00 N ATOM 1251 CA LEU A 84 12.893 15.716 4.888 1.00 0.00 C ATOM 1252 C LEU A 84 13.694 15.874 6.177 1.00 0.00 C ATOM 1253 O LEU A 84 13.949 16.991 6.628 1.00 0.00 O ATOM 1254 CB LEU A 84 13.427 16.680 3.824 1.00 0.00 C ATOM 1255 CG LEU A 84 12.552 16.819 2.577 1.00 0.00 C ATOM 1256 CD1 LEU A 84 13.104 17.894 1.655 1.00 0.00 C ATOM 1257 CD2 LEU A 84 12.445 15.489 1.847 1.00 0.00 C ATOM 0 H LEU A 84 11.192 16.913 5.181 1.00 0.00 H new ATOM 0 HA LEU A 84 13.014 14.690 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.548 17.665 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.418 16.346 3.518 1.00 0.00 H new ATOM 0 HG LEU A 84 11.552 17.118 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.469 17.979 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.124 18.849 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.115 17.627 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.819 15.609 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.439 15.158 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.001 14.745 2.509 1.00 0.00 H new ATOM 1269 N MET A 85 14.088 14.747 6.767 1.00 0.00 N ATOM 1270 CA MET A 85 14.870 14.764 7.997 1.00 0.00 C ATOM 1271 C MET A 85 16.162 13.946 7.865 1.00 0.00 C ATOM 1272 O MET A 85 17.215 14.383 8.327 1.00 0.00 O ATOM 1273 CB MET A 85 14.040 14.241 9.171 1.00 0.00 C ATOM 1274 CG MET A 85 14.656 14.542 10.526 1.00 0.00 C ATOM 1275 SD MET A 85 13.533 14.199 11.893 1.00 0.00 S ATOM 1276 CE MET A 85 14.224 12.668 12.520 1.00 0.00 C ATOM 0 H MET A 85 13.878 13.814 6.413 1.00 0.00 H new ATOM 0 HA MET A 85 15.147 15.801 8.187 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.044 14.681 9.127 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.917 13.163 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.562 13.949 10.648 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.954 15.590 10.560 1.00 0.00 H new ATOM 0 HE1 MET A 85 13.467 12.137 13.097 1.00 0.00 H new ATOM 0 HE2 MET A 85 14.547 12.046 11.685 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.078 12.889 13.160 1.00 0.00 H new ATOM 1286 N GLY A 86 16.071 12.732 7.309 1.00 0.00 N ATOM 1287 CA GLY A 86 17.248 11.869 7.241 1.00 0.00 C ATOM 1288 C GLY A 86 17.277 10.941 6.035 1.00 0.00 C ATOM 1289 O GLY A 86 18.028 11.178 5.089 1.00 0.00 O ATOM 0 H GLY A 86 15.219 12.336 6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.141 12.494 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.296 11.267 8.149 1.00 0.00 H new ATOM 1293 N GLY A 87 16.547 9.826 6.124 1.00 0.00 N ATOM 1294 CA GLY A 87 16.565 8.807 5.077 1.00 0.00 C ATOM 1295 C GLY A 87 16.187 9.362 3.725 1.00 0.00 C ATOM 1296 O GLY A 87 15.061 9.797 3.527 1.00 0.00 O ATOM 0 H GLY A 87 15.937 9.608 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.560 8.366 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.876 8.005 5.343 1.00 0.00 H new ATOM 1300 N GLU A 88 17.172 9.483 2.853 1.00 0.00 N ATOM 1301 CA GLU A 88 16.996 10.175 1.585 1.00 0.00 C ATOM 1302 C GLU A 88 16.147 9.392 0.590 1.00 0.00 C ATOM 1303 O GLU A 88 16.634 8.470 -0.069 1.00 0.00 O ATOM 1304 CB GLU A 88 18.359 10.477 0.960 1.00 0.00 C ATOM 1305 CG GLU A 88 18.975 11.774 1.447 1.00 0.00 C ATOM 1306 CD GLU A 88 19.285 12.731 0.317 1.00 0.00 C ATOM 1307 OE1 GLU A 88 18.400 13.527 -0.058 1.00 0.00 O ATOM 1308 OE2 GLU A 88 20.419 12.693 -0.206 1.00 0.00 O ATOM 0 H GLU A 88 18.109 9.109 3.000 1.00 0.00 H new ATOM 0 HA GLU A 88 16.464 11.100 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.041 9.655 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.251 10.520 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.293 12.255 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.892 11.554 1.994 1.00 0.00 H new ATOM 1315 N PHE A 89 14.942 9.891 0.348 1.00 0.00 N ATOM 1316 CA PHE A 89 14.110 9.396 -0.731 1.00 0.00 C ATOM 1317 C PHE A 89 14.099 10.425 -1.853 1.00 0.00 C ATOM 1318 O PHE A 89 14.423 11.594 -1.626 1.00 0.00 O ATOM 1319 CB PHE A 89 12.680 9.134 -0.259 1.00 0.00 C ATOM 1320 CG PHE A 89 12.550 8.863 1.216 1.00 0.00 C ATOM 1321 CD1 PHE A 89 13.167 7.759 1.784 1.00 0.00 C ATOM 1322 CD2 PHE A 89 11.811 9.706 2.030 1.00 0.00 C ATOM 1323 CE1 PHE A 89 13.051 7.501 3.135 1.00 0.00 C ATOM 1324 CE2 PHE A 89 11.691 9.452 3.380 1.00 0.00 C ATOM 1325 CZ PHE A 89 12.311 8.348 3.933 1.00 0.00 C ATOM 0 H PHE A 89 14.520 10.644 0.891 1.00 0.00 H new ATOM 0 HA PHE A 89 14.522 8.451 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.063 9.996 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 89 12.280 8.282 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 89 13.746 7.093 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.324 10.570 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 89 13.538 6.639 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.112 10.116 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.216 8.148 4.990 1.00 0.00 H new ATOM 1335 N GLY A 90 13.753 9.998 -3.058 1.00 0.00 N ATOM 1336 CA GLY A 90 13.728 10.920 -4.176 1.00 0.00 C ATOM 1337 C GLY A 90 13.347 10.258 -5.483 1.00 0.00 C ATOM 1338 O GLY A 90 14.110 10.301 -6.450 1.00 0.00 O ATOM 0 H GLY A 90 13.491 9.038 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.021 11.722 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.710 11.380 -4.282 1.00 0.00 H new ATOM 1342 N ASP A 91 12.178 9.640 -5.517 1.00 0.00 N ATOM 1343 CA ASP A 91 11.711 8.962 -6.721 1.00 0.00 C ATOM 1344 C ASP A 91 10.451 9.629 -7.265 1.00 0.00 C ATOM 1345 O ASP A 91 10.518 10.568 -8.061 1.00 0.00 O ATOM 1346 CB ASP A 91 11.445 7.476 -6.436 1.00 0.00 C ATOM 1347 CG ASP A 91 10.891 7.213 -5.045 1.00 0.00 C ATOM 1348 OD1 ASP A 91 9.771 7.678 -4.745 1.00 0.00 O ATOM 1349 OD2 ASP A 91 11.580 6.552 -4.245 1.00 0.00 O ATOM 0 H ASP A 91 11.534 9.592 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 91 12.494 9.037 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.743 7.093 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.374 6.919 -6.559 1.00 0.00 H new ATOM 1354 N GLU A 92 9.311 9.188 -6.771 1.00 0.00 N ATOM 1355 CA GLU A 92 8.029 9.758 -7.136 1.00 0.00 C ATOM 1356 C GLU A 92 7.168 9.895 -5.891 1.00 0.00 C ATOM 1357 O GLU A 92 7.062 10.974 -5.312 1.00 0.00 O ATOM 1358 CB GLU A 92 7.325 8.883 -8.179 1.00 0.00 C ATOM 1359 CG GLU A 92 7.706 7.410 -8.108 1.00 0.00 C ATOM 1360 CD GLU A 92 7.302 6.645 -9.348 1.00 0.00 C ATOM 1361 OE1 GLU A 92 6.121 6.255 -9.454 1.00 0.00 O ATOM 1362 OE2 GLU A 92 8.167 6.419 -10.220 1.00 0.00 O ATOM 0 H GLU A 92 9.248 8.421 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 92 8.188 10.743 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.247 8.976 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.560 9.261 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.783 7.324 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.233 6.958 -7.236 1.00 0.00 H new ATOM 1369 N ASP A 93 6.643 8.774 -5.427 1.00 0.00 N ATOM 1370 CA ASP A 93 5.879 8.731 -4.191 1.00 0.00 C ATOM 1371 C ASP A 93 6.214 7.458 -3.429 1.00 0.00 C ATOM 1372 O ASP A 93 5.392 6.948 -2.672 1.00 0.00 O ATOM 1373 CB ASP A 93 4.378 8.790 -4.488 1.00 0.00 C ATOM 1374 CG ASP A 93 3.620 9.660 -3.503 1.00 0.00 C ATOM 1375 OD1 ASP A 93 3.980 9.680 -2.311 1.00 0.00 O ATOM 1376 OD2 ASP A 93 2.657 10.338 -3.924 1.00 0.00 O ATOM 0 H ASP A 93 6.733 7.871 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 93 6.142 9.595 -3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.226 9.174 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.967 7.781 -4.466 1.00 0.00 H new ATOM 1381 N GLU A 94 7.431 6.948 -3.679 1.00 0.00 N ATOM 1382 CA GLU A 94 7.931 5.684 -3.116 1.00 0.00 C ATOM 1383 C GLU A 94 6.826 4.634 -3.016 1.00 0.00 C ATOM 1384 O GLU A 94 6.298 4.178 -4.034 1.00 0.00 O ATOM 1385 CB GLU A 94 8.627 5.890 -1.757 1.00 0.00 C ATOM 1386 CG GLU A 94 8.170 7.113 -0.974 1.00 0.00 C ATOM 1387 CD GLU A 94 7.229 6.750 0.154 1.00 0.00 C ATOM 1388 OE1 GLU A 94 7.209 5.566 0.558 1.00 0.00 O ATOM 1389 OE2 GLU A 94 6.507 7.637 0.646 1.00 0.00 O ATOM 0 H GLU A 94 8.106 7.410 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 94 8.683 5.309 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.462 5.004 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.701 5.966 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.040 7.628 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.674 7.810 -1.649 1.00 0.00 H new ATOM 1396 N ARG A 95 6.389 4.344 -1.805 1.00 0.00 N ATOM 1397 CA ARG A 95 5.253 3.472 -1.622 1.00 0.00 C ATOM 1398 C ARG A 95 3.977 4.293 -1.588 1.00 0.00 C ATOM 1399 O ARG A 95 3.473 4.637 -0.520 1.00 0.00 O ATOM 1400 CB ARG A 95 5.379 2.651 -0.342 1.00 0.00 C ATOM 1401 CG ARG A 95 4.447 1.455 -0.319 1.00 0.00 C ATOM 1402 CD ARG A 95 4.829 0.448 -1.388 1.00 0.00 C ATOM 1403 NE ARG A 95 5.528 -0.691 -0.809 1.00 0.00 N ATOM 1404 CZ ARG A 95 6.812 -0.968 -1.010 1.00 0.00 C ATOM 1405 NH1 ARG A 95 7.533 -0.245 -1.861 1.00 0.00 N ATOM 1406 NH2 ARG A 95 7.367 -1.987 -0.370 1.00 0.00 N ATOM 0 H ARG A 95 6.802 4.698 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 95 5.220 2.778 -2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.408 2.307 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.166 3.289 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.482 0.981 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.420 1.786 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.933 0.104 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.463 0.927 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 95 4.995 -1.319 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.101 0.529 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.518 -0.464 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.809 -2.552 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.352 -2.207 -0.518 1.00 0.00 H new ATOM 1420 N LEU A 96 3.488 4.638 -2.764 1.00 0.00 N ATOM 1421 CA LEU A 96 2.267 5.407 -2.874 1.00 0.00 C ATOM 1422 C LEU A 96 1.078 4.511 -2.587 1.00 0.00 C ATOM 1423 O LEU A 96 0.838 3.550 -3.313 1.00 0.00 O ATOM 1424 CB LEU A 96 2.123 6.013 -4.271 1.00 0.00 C ATOM 1425 CG LEU A 96 2.549 5.104 -5.422 1.00 0.00 C ATOM 1426 CD1 LEU A 96 1.570 5.208 -6.579 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.954 5.461 -5.866 1.00 0.00 C ATOM 0 H LEU A 96 3.919 4.397 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 96 2.306 6.220 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.081 6.297 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.713 6.929 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 96 2.545 4.070 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.892 4.553 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.577 4.909 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.538 6.237 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.253 4.809 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.978 6.499 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.643 5.332 -5.031 1.00 0.00 H new ATOM 1439 N ILE A 97 0.382 4.764 -1.495 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.762 3.945 -1.138 1.00 0.00 C ATOM 1441 C ILE A 97 -1.841 4.755 -0.457 1.00 0.00 C ATOM 1442 O ILE A 97 -1.619 5.358 0.595 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.410 2.765 -0.214 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.979 2.927 0.396 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.509 1.460 -0.982 1.00 0.00 C ATOM 1446 CD1 ILE A 97 1.007 2.754 1.899 1.00 0.00 C ATOM 0 H ILE A 97 0.585 5.523 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.120 3.551 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.127 2.750 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.652 2.199 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.363 3.916 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.259 0.629 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.525 1.333 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.186 1.478 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.027 2.883 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.360 3.499 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.654 1.756 2.157 1.00 0.00 H new ATOM 1458 N THR A 98 -3.032 4.672 -1.004 1.00 0.00 N ATOM 1459 CA THR A 98 -4.183 5.272 -0.399 1.00 0.00 C ATOM 1460 C THR A 98 -4.962 4.225 0.368 1.00 0.00 C ATOM 1461 O THR A 98 -5.569 3.329 -0.222 1.00 0.00 O ATOM 1462 CB THR A 98 -5.076 5.918 -1.457 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.715 5.448 -2.766 1.00 0.00 O ATOM 1464 CG2 THR A 98 -4.914 7.416 -1.390 1.00 0.00 C ATOM 0 H THR A 98 -3.223 4.186 -1.880 1.00 0.00 H new ATOM 0 HA THR A 98 -3.849 6.049 0.288 1.00 0.00 H new ATOM 0 HB THR A 98 -6.115 5.650 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.295 5.867 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.548 7.885 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.203 7.769 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.873 7.678 -1.579 1.00 0.00 H new ATOM 1472 N ARG A 99 -4.902 4.317 1.685 1.00 0.00 N ATOM 1473 CA ARG A 99 -5.609 3.380 2.545 1.00 0.00 C ATOM 1474 C ARG A 99 -7.101 3.657 2.429 1.00 0.00 C ATOM 1475 O ARG A 99 -7.603 4.609 3.023 1.00 0.00 O ATOM 1476 CB ARG A 99 -5.159 3.531 4.004 1.00 0.00 C ATOM 1477 CG ARG A 99 -3.652 3.438 4.196 1.00 0.00 C ATOM 1478 CD ARG A 99 -3.243 2.275 5.097 1.00 0.00 C ATOM 1479 NE ARG A 99 -4.374 1.645 5.782 1.00 0.00 N ATOM 1480 CZ ARG A 99 -4.398 0.363 6.145 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -3.381 -0.441 5.848 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.439 -0.110 6.818 1.00 0.00 N ATOM 0 H ARG A 99 -4.371 5.031 2.184 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.387 2.360 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.505 4.492 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.640 2.759 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.172 3.325 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.286 4.371 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.727 1.525 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.531 2.634 5.841 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.189 2.220 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.575 -0.077 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.407 -1.421 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.216 0.507 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.462 -1.090 7.098 1.00 0.00 H new ATOM 1496 N LEU A 100 -7.762 2.967 1.516 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.134 3.297 1.196 1.00 0.00 C ATOM 1498 C LEU A 100 -10.106 2.385 1.905 1.00 0.00 C ATOM 1499 O LEU A 100 -9.734 1.363 2.478 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.375 3.234 -0.308 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.257 4.351 -0.866 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.406 5.413 -1.545 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.283 3.788 -1.834 1.00 0.00 C ATOM 0 H LEU A 100 -7.374 2.184 0.990 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.305 4.317 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.412 3.263 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.834 2.275 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.789 4.816 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.050 6.200 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.711 5.839 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.846 4.962 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.901 4.598 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.771 3.296 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.914 3.066 -1.316 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.356 2.769 1.837 1.00 0.00 N ATOM 1516 CA GLU A 101 -12.434 2.032 2.469 1.00 0.00 C ATOM 1517 C GLU A 101 -13.251 1.309 1.415 1.00 0.00 C ATOM 1518 O GLU A 101 -13.517 1.857 0.344 1.00 0.00 O ATOM 1519 CB GLU A 101 -13.324 2.986 3.271 1.00 0.00 C ATOM 1520 CG GLU A 101 -12.889 4.442 3.168 1.00 0.00 C ATOM 1521 CD GLU A 101 -12.562 5.060 4.508 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.421 5.021 5.411 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -11.439 5.589 4.662 1.00 0.00 O ATOM 0 H GLU A 101 -11.661 3.606 1.340 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.010 1.296 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.352 2.895 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.317 2.685 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.014 4.509 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.682 5.019 2.692 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.635 0.079 1.709 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.421 -0.712 0.775 1.00 0.00 C ATOM 1532 C ASN A 102 -15.865 -0.230 0.768 1.00 0.00 C ATOM 1533 O ASN A 102 -16.372 0.239 1.787 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.369 -2.191 1.158 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.445 -3.110 -0.047 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.700 -2.670 -1.167 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.244 -4.398 0.181 1.00 0.00 N ATOM 0 H ASN A 102 -13.416 -0.394 2.586 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.000 -0.592 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.446 -2.389 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.193 -2.416 1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.298 -5.066 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.035 -4.722 1.125 1.00 0.00 H new ATOM 1544 N THR A 103 -16.527 -0.357 -0.373 1.00 0.00 N ATOM 1545 CA THR A 103 -17.925 0.028 -0.489 1.00 0.00 C ATOM 1546 C THR A 103 -18.778 -0.808 0.460 1.00 0.00 C ATOM 1547 O THR A 103 -19.470 -0.277 1.331 1.00 0.00 O ATOM 1548 CB THR A 103 -18.425 -0.152 -1.932 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.649 0.660 -2.822 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.895 0.208 -2.049 1.00 0.00 C ATOM 0 H THR A 103 -16.118 -0.724 -1.232 1.00 0.00 H new ATOM 0 HA THR A 103 -18.012 1.081 -0.221 1.00 0.00 H new ATOM 0 HB THR A 103 -18.309 -1.201 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.971 0.540 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.222 0.072 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.481 -0.437 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.039 1.248 -1.757 1.00 0.00 H new ATOM 1558 N GLN A 104 -18.600 -2.115 0.379 1.00 0.00 N ATOM 1559 CA GLN A 104 -19.223 -3.041 1.311 1.00 0.00 C ATOM 1560 C GLN A 104 -18.391 -3.130 2.590 1.00 0.00 C ATOM 1561 O GLN A 104 -17.940 -4.208 2.977 1.00 0.00 O ATOM 1562 CB GLN A 104 -19.367 -4.425 0.675 1.00 0.00 C ATOM 1563 CG GLN A 104 -20.158 -4.420 -0.624 1.00 0.00 C ATOM 1564 CD GLN A 104 -21.653 -4.322 -0.394 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -22.296 -3.350 -0.796 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -22.217 -5.328 0.256 1.00 0.00 N ATOM 0 H GLN A 104 -18.022 -2.564 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 104 -20.218 -2.672 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -18.374 -4.833 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -19.855 -5.093 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -19.833 -3.582 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -19.939 -5.330 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -21.649 -6.114 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -23.220 -5.317 0.441 1.00 0.00 H new ATOM 1575 N PHE A 105 -18.135 -1.969 3.185 1.00 0.00 N ATOM 1576 CA PHE A 105 -17.311 -1.863 4.385 1.00 0.00 C ATOM 1577 C PHE A 105 -17.902 -2.704 5.513 1.00 0.00 C ATOM 1578 O PHE A 105 -17.325 -3.726 5.878 1.00 0.00 O ATOM 1579 CB PHE A 105 -17.184 -0.382 4.794 1.00 0.00 C ATOM 1580 CG PHE A 105 -16.866 -0.137 6.249 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -15.619 -0.445 6.774 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -17.819 0.418 7.087 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -15.335 -0.206 8.106 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -17.537 0.661 8.417 1.00 0.00 C ATOM 1585 CZ PHE A 105 -16.295 0.348 8.927 1.00 0.00 C ATOM 0 H PHE A 105 -18.493 -1.075 2.849 1.00 0.00 H new ATOM 0 HA PHE A 105 -16.314 -2.250 4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -16.405 0.080 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.118 0.125 4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -14.862 -0.876 6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -18.795 0.664 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -14.362 -0.453 8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -18.290 1.096 9.058 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.074 0.536 9.967 1.00 0.00 H new ATOM 1595 N ASP A 106 -19.108 -2.321 5.948 1.00 0.00 N ATOM 1596 CA ASP A 106 -19.889 -3.032 6.962 1.00 0.00 C ATOM 1597 C ASP A 106 -19.068 -3.367 8.196 1.00 0.00 C ATOM 1598 O ASP A 106 -19.090 -2.650 9.200 1.00 0.00 O ATOM 1599 CB ASP A 106 -20.461 -4.316 6.371 1.00 0.00 C ATOM 1600 CG ASP A 106 -21.263 -5.115 7.379 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -22.278 -4.599 7.889 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -20.864 -6.255 7.683 1.00 0.00 O ATOM 0 H ASP A 106 -19.578 -1.487 5.595 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.695 -2.366 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.097 -4.069 5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.646 -4.931 5.991 1.00 0.00 H new ATOM 1607 N ALA A 107 -18.362 -4.470 8.078 1.00 0.00 N ATOM 1608 CA ALA A 107 -17.493 -5.001 9.131 1.00 0.00 C ATOM 1609 C ALA A 107 -18.302 -5.448 10.345 1.00 0.00 C ATOM 1610 O ALA A 107 -17.793 -5.477 11.467 1.00 0.00 O ATOM 1611 CB ALA A 107 -16.429 -3.984 9.533 1.00 0.00 C ATOM 0 H ALA A 107 -18.369 -5.042 7.234 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.986 -5.877 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.799 -4.406 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.815 -3.738 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -16.912 -3.080 9.904 1.00 0.00 H new ATOM 1617 N ALA A 108 -19.535 -5.870 10.103 1.00 0.00 N ATOM 1618 CA ALA A 108 -20.387 -6.396 11.156 1.00 0.00 C ATOM 1619 C ALA A 108 -20.841 -7.804 10.797 1.00 0.00 C ATOM 1620 O ALA A 108 -20.620 -8.752 11.548 1.00 0.00 O ATOM 1621 CB ALA A 108 -21.584 -5.484 11.382 1.00 0.00 C ATOM 0 H ALA A 108 -19.968 -5.857 9.180 1.00 0.00 H new ATOM 0 HA ALA A 108 -19.817 -6.438 12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -22.210 -5.895 12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -21.236 -4.492 11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -22.164 -5.411 10.462 1.00 0.00 H new ATOM 1627 N ASN A 109 -21.325 -7.950 9.574 1.00 0.00 N ATOM 1628 CA ASN A 109 -21.665 -9.254 9.027 1.00 0.00 C ATOM 1629 C ASN A 109 -20.526 -9.743 8.146 1.00 0.00 C ATOM 1630 O ASN A 109 -20.194 -10.930 8.132 1.00 0.00 O ATOM 1631 CB ASN A 109 -22.962 -9.174 8.211 1.00 0.00 C ATOM 1632 CG ASN A 109 -23.633 -10.524 8.036 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -23.351 -11.474 8.768 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -24.542 -10.618 7.076 1.00 0.00 N ATOM 0 H ASN A 109 -21.493 -7.173 8.935 1.00 0.00 H new ATOM 0 HA ASN A 109 -21.819 -9.954 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -23.654 -8.491 8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -22.743 -8.753 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -25.034 -11.498 6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -24.749 -9.810 6.489 1.00 0.00 H new ATOM 1641 N GLY A 110 -19.902 -8.804 7.448 1.00 0.00 N ATOM 1642 CA GLY A 110 -18.789 -9.124 6.585 1.00 0.00 C ATOM 1643 C GLY A 110 -18.833 -8.320 5.308 1.00 0.00 C ATOM 1644 O GLY A 110 -18.843 -7.092 5.346 1.00 0.00 O ATOM 0 H GLY A 110 -20.153 -7.816 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.853 -8.928 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -18.805 -10.188 6.348 1.00 0.00 H new ATOM 1648 N ILE A 111 -18.954 -9.010 4.183 1.00 0.00 N ATOM 1649 CA ILE A 111 -19.081 -8.349 2.887 1.00 0.00 C ATOM 1650 C ILE A 111 -20.532 -7.944 2.642 1.00 0.00 C ATOM 1651 O ILE A 111 -20.873 -7.355 1.614 1.00 0.00 O ATOM 1652 CB ILE A 111 -18.604 -9.263 1.732 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -17.467 -10.176 2.199 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -18.151 -8.429 0.543 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -17.410 -11.498 1.464 1.00 0.00 C ATOM 0 H ILE A 111 -18.967 -10.029 4.139 1.00 0.00 H new ATOM 0 HA ILE A 111 -18.447 -7.462 2.909 1.00 0.00 H new ATOM 0 HB ILE A 111 -19.444 -9.885 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -16.518 -9.656 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -17.581 -10.368 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -17.819 -9.089 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -18.981 -7.818 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -17.327 -7.782 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -16.580 -12.092 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -18.344 -12.039 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -17.264 -11.316 0.399 1.00 0.00 H new ATOM 1667 N ASP A 112 -21.377 -8.217 3.624 1.00 0.00 N ATOM 1668 CA ASP A 112 -22.782 -7.861 3.547 1.00 0.00 C ATOM 1669 C ASP A 112 -23.020 -6.516 4.208 1.00 0.00 C ATOM 1670 O ASP A 112 -23.427 -6.442 5.366 1.00 0.00 O ATOM 1671 CB ASP A 112 -23.646 -8.937 4.208 1.00 0.00 C ATOM 1672 CG ASP A 112 -25.129 -8.623 4.141 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -25.630 -8.298 3.042 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -25.802 -8.704 5.193 1.00 0.00 O ATOM 0 H ASP A 112 -21.110 -8.687 4.489 1.00 0.00 H new ATOM 0 HA ASP A 112 -23.063 -7.790 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -23.460 -9.895 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -23.349 -9.045 5.251 1.00 0.00 H new ATOM 1679 N ASP A 113 -22.684 -5.460 3.486 1.00 0.00 N ATOM 1680 CA ASP A 113 -22.847 -4.094 3.978 1.00 0.00 C ATOM 1681 C ASP A 113 -24.291 -3.842 4.401 1.00 0.00 C ATOM 1682 O ASP A 113 -25.233 -4.289 3.743 1.00 0.00 O ATOM 1683 CB ASP A 113 -22.404 -3.086 2.899 1.00 0.00 C ATOM 1684 CG ASP A 113 -23.406 -1.967 2.644 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -24.380 -2.186 1.889 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -23.205 -0.848 3.162 1.00 0.00 O ATOM 0 H ASP A 113 -22.292 -5.520 2.546 1.00 0.00 H new ATOM 0 HA ASP A 113 -22.214 -3.960 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -21.452 -2.646 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -22.229 -3.622 1.966 1.00 0.00 H new ATOM 1691 N GLU A 114 -24.456 -3.141 5.504 1.00 0.00 N ATOM 1692 CA GLU A 114 -25.776 -2.809 6.001 1.00 0.00 C ATOM 1693 C GLU A 114 -25.960 -1.301 5.967 1.00 0.00 C ATOM 1694 O GLU A 114 -26.947 -0.833 5.364 1.00 0.00 O ATOM 1695 CB GLU A 114 -25.965 -3.347 7.423 1.00 0.00 C ATOM 1696 CG GLU A 114 -27.420 -3.434 7.860 1.00 0.00 C ATOM 1697 CD GLU A 114 -28.254 -4.353 6.988 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -28.791 -3.884 5.964 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -28.398 -5.546 7.333 1.00 0.00 O ATOM 1700 OXT GLU A 114 -25.087 -0.582 6.496 1.00 0.00 O ATOM 0 H GLU A 114 -23.688 -2.789 6.076 1.00 0.00 H new ATOM 0 HA GLU A 114 -26.529 -3.275 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -25.516 -4.338 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -25.424 -2.705 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -27.462 -3.786 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -27.857 -2.435 7.846 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -4.843 -9.954 -1.106 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.044 -2.827 3.252 1.00 0.00 ZN