USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 166:sc= 1.74 (180deg=1.02) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.467 K(o=2.2,f=-5.8!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 1.54 (180deg=0.291!) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.805 (180deg=0.727) USER MOD Single : A 29 GLN : amide:sc= -0.532 K(o=-0.53,f=0.0082) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -116:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= 0.0481 K(o=0.048,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.13) USER MOD Single : A 40 MET CE :methyl 156:sc= -0.411 (180deg=-0.754) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.0155 USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.31 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.98 (180deg=0.608!) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.17) USER MOD Single : A 50 SER OG : rot 99:sc= 1.25 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 52 CYS SG : rot 83:sc= 1.23 USER MOD Single : A 53 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.4!) USER MOD Single : A 55 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.41) USER MOD Single : A 59 MET CE :methyl -131:sc= 0 (180deg=-0.0289) USER MOD Single : A 61 SER OG : rot -105:sc= 0.522 USER MOD Single : A 69 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 74 ASN : amide:sc=-0.000912 X(o=-0.00091,f=-0.012) USER MOD Single : A 75 HIS : no HD1:sc= 0.545 K(o=0.55,f=-5.6!) USER MOD Single : A 76 THR OG1 : rot -61:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -110:sc= -0.0699 (180deg=-0.963) USER MOD Single : A 91 TYR OH : rot -167:sc= 1.25 USER MOD Single : A 92 GLN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : B 357 ASN : amide:sc= -0.582 K(o=-0.58,f=0.85) USER MOD Single : B 358 ASN : amide:sc= 0.0101 K(o=0.01,f=-5.1!) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 14.250 -4.987 -0.760 1.00 10.00 N ATOM 2 CA TYR A 21 13.024 -4.166 -0.830 1.00 10.00 C ATOM 3 C TYR A 21 12.020 -4.653 0.200 1.00 10.00 C ATOM 4 O TYR A 21 12.109 -5.786 0.677 1.00 10.00 O ATOM 5 CB TYR A 21 12.413 -4.233 -2.233 1.00 10.00 C ATOM 6 CG TYR A 21 13.312 -3.689 -3.326 1.00 10.00 C ATOM 7 CD1 TYR A 21 14.087 -2.553 -3.119 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.382 -4.312 -4.565 1.00 10.00 C ATOM 9 CE1 TYR A 21 14.908 -2.058 -4.115 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.200 -3.822 -5.564 1.00 10.00 C ATOM 11 CZ TYR A 21 14.960 -2.695 -5.335 1.00 10.00 C ATOM 12 OH TYR A 21 15.778 -2.203 -6.328 1.00 10.00 O ATOM 0 HA TYR A 21 13.283 -3.129 -0.616 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.168 -5.270 -2.462 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.476 -3.676 -2.237 1.00 10.00 H new ATOM 0 HD1 TYR A 21 14.047 -2.049 -2.165 1.00 10.00 H new ATOM 0 HD2 TYR A 21 12.787 -5.194 -4.750 1.00 10.00 H new ATOM 0 HE1 TYR A 21 15.506 -1.176 -3.937 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.244 -4.320 -6.521 1.00 10.00 H new ATOM 0 HH TYR A 21 15.700 -2.767 -7.125 1.00 10.00 H new ATOM 22 N ILE A 22 11.068 -3.800 0.537 1.00 10.00 N ATOM 23 CA ILE A 22 10.051 -4.138 1.520 1.00 10.00 C ATOM 24 C ILE A 22 8.790 -4.645 0.829 1.00 10.00 C ATOM 25 O ILE A 22 8.257 -3.989 -0.066 1.00 10.00 O ATOM 26 CB ILE A 22 9.696 -2.919 2.406 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.930 -2.417 3.168 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.576 -3.266 3.377 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.522 -3.436 4.119 1.00 10.00 C ATOM 0 H ILE A 22 10.977 -2.864 0.143 1.00 10.00 H new ATOM 0 HA ILE A 22 10.459 -4.923 2.156 1.00 10.00 H new ATOM 0 HB ILE A 22 9.350 -2.118 1.752 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.693 -2.120 2.448 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.658 -1.524 3.731 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.343 -2.395 3.990 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.689 -3.564 2.818 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.893 -4.087 4.020 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.390 -3.006 4.619 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.776 -3.716 4.863 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.827 -4.321 3.560 1.00 10.00 H new ATOM 41 N LYS A 23 8.329 -5.817 1.230 1.00 10.00 N ATOM 42 CA LYS A 23 7.128 -6.393 0.653 1.00 10.00 C ATOM 43 C LYS A 23 5.991 -6.339 1.666 1.00 10.00 C ATOM 44 O LYS A 23 5.974 -7.093 2.641 1.00 10.00 O ATOM 45 CB LYS A 23 7.384 -7.832 0.212 1.00 10.00 C ATOM 46 CG LYS A 23 6.242 -8.435 -0.586 1.00 10.00 C ATOM 47 CD LYS A 23 6.185 -9.946 -0.430 1.00 10.00 C ATOM 48 CE LYS A 23 5.661 -10.348 0.940 1.00 10.00 C ATOM 49 NZ LYS A 23 6.756 -10.644 1.898 1.00 10.00 N ATOM 0 H LYS A 23 8.768 -6.388 1.952 1.00 10.00 H new ATOM 0 HA LYS A 23 6.845 -5.813 -0.226 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.293 -7.863 -0.389 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.565 -8.447 1.094 1.00 10.00 H new ATOM 0 HG2 LYS A 23 5.298 -7.999 -0.258 1.00 10.00 H new ATOM 0 HG3 LYS A 23 6.360 -8.182 -1.640 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.544 -10.368 -1.204 1.00 10.00 H new ATOM 0 HD3 LYS A 23 7.180 -10.365 -0.577 1.00 10.00 H new ATOM 0 HE2 LYS A 23 5.040 -9.546 1.338 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.023 -11.226 0.839 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.413 -11.305 2.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.556 -11.073 1.390 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 7.068 -9.762 2.352 1.00 10.00 H new ATOM 63 N LEU A 24 5.049 -5.439 1.433 1.00 10.00 N ATOM 64 CA LEU A 24 3.913 -5.269 2.328 1.00 10.00 C ATOM 65 C LEU A 24 2.748 -6.154 1.908 1.00 10.00 C ATOM 66 O LEU A 24 2.453 -6.280 0.719 1.00 10.00 O ATOM 67 CB LEU A 24 3.465 -3.804 2.345 1.00 10.00 C ATOM 68 CG LEU A 24 4.535 -2.795 2.771 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.034 -1.372 2.570 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.941 -3.026 4.221 1.00 10.00 C ATOM 0 H LEU A 24 5.048 -4.812 0.628 1.00 10.00 H new ATOM 0 HA LEU A 24 4.229 -5.563 3.329 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.115 -3.537 1.348 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.613 -3.710 3.018 1.00 10.00 H new ATOM 0 HG LEU A 24 5.416 -2.939 2.145 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.807 -0.667 2.878 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.798 -1.215 1.518 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.138 -1.213 3.171 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.702 -2.300 4.506 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.070 -2.910 4.866 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.342 -4.034 4.330 1.00 10.00 H new ATOM 82 N LYS A 25 2.106 -6.772 2.887 1.00 10.00 N ATOM 83 CA LYS A 25 0.962 -7.630 2.635 1.00 10.00 C ATOM 84 C LYS A 25 -0.327 -6.856 2.876 1.00 10.00 C ATOM 85 O LYS A 25 -0.645 -6.496 4.013 1.00 10.00 O ATOM 86 CB LYS A 25 1.011 -8.871 3.530 1.00 10.00 C ATOM 87 CG LYS A 25 1.955 -9.950 3.024 1.00 10.00 C ATOM 88 CD LYS A 25 2.021 -11.128 3.983 1.00 10.00 C ATOM 89 CE LYS A 25 2.627 -12.353 3.319 1.00 10.00 C ATOM 90 NZ LYS A 25 2.961 -13.411 4.306 1.00 10.00 N ATOM 0 H LYS A 25 2.362 -6.693 3.871 1.00 10.00 H new ATOM 0 HA LYS A 25 0.992 -7.957 1.596 1.00 10.00 H new ATOM 0 HB2 LYS A 25 1.317 -8.573 4.533 1.00 10.00 H new ATOM 0 HB3 LYS A 25 0.007 -9.288 3.614 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.623 -10.295 2.045 1.00 10.00 H new ATOM 0 HG3 LYS A 25 2.952 -9.530 2.893 1.00 10.00 H new ATOM 0 HD2 LYS A 25 2.614 -10.855 4.856 1.00 10.00 H new ATOM 0 HD3 LYS A 25 1.019 -11.365 4.340 1.00 10.00 H new ATOM 0 HE2 LYS A 25 1.927 -12.751 2.584 1.00 10.00 H new ATOM 0 HE3 LYS A 25 3.528 -12.064 2.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 3.309 -14.254 3.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 3.698 -13.063 4.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 2.111 -13.658 4.852 1.00 10.00 H new ATOM 104 N VAL A 26 -1.053 -6.589 1.805 1.00 10.00 N ATOM 105 CA VAL A 26 -2.301 -5.844 1.891 1.00 10.00 C ATOM 106 C VAL A 26 -3.482 -6.791 2.040 1.00 10.00 C ATOM 107 O VAL A 26 -3.721 -7.639 1.178 1.00 10.00 O ATOM 108 CB VAL A 26 -2.526 -4.957 0.647 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.549 -3.871 0.944 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.213 -4.350 0.165 1.00 10.00 C ATOM 0 H VAL A 26 -0.800 -6.878 0.860 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.227 -5.203 2.769 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.917 -5.585 -0.153 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.695 -3.256 0.056 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.496 -4.331 1.226 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.190 -3.247 1.763 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.399 -3.730 -0.712 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.783 -3.738 0.958 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.517 -5.148 -0.096 1.00 10.00 H new ATOM 120 N ILE A 27 -4.206 -6.644 3.140 1.00 10.00 N ATOM 121 CA ILE A 27 -5.362 -7.481 3.413 1.00 10.00 C ATOM 122 C ILE A 27 -6.641 -6.789 2.957 1.00 10.00 C ATOM 123 O ILE A 27 -7.028 -5.750 3.496 1.00 10.00 O ATOM 124 CB ILE A 27 -5.474 -7.818 4.917 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.199 -8.515 5.409 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.697 -8.687 5.186 1.00 10.00 C ATOM 127 CD1 ILE A 27 -3.946 -9.868 4.771 1.00 10.00 C ATOM 0 H ILE A 27 -4.011 -5.949 3.860 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.229 -8.409 2.857 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.591 -6.885 5.468 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.345 -7.867 5.212 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.261 -8.641 6.490 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.756 -8.912 6.251 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.597 -8.155 4.877 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.614 -9.616 4.623 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.026 -10.293 5.173 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -4.780 -10.535 4.989 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -3.850 -9.749 3.692 1.00 10.00 H new ATOM 139 N GLY A 28 -7.273 -7.357 1.942 1.00 10.00 N ATOM 140 CA GLY A 28 -8.506 -6.798 1.430 1.00 10.00 C ATOM 141 C GLY A 28 -9.719 -7.324 2.169 1.00 10.00 C ATOM 142 O GLY A 28 -9.612 -8.266 2.955 1.00 10.00 O ATOM 0 H GLY A 28 -6.953 -8.198 1.462 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.474 -5.712 1.514 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.598 -7.033 0.370 1.00 10.00 H new ATOM 146 N GLN A 29 -10.877 -6.730 1.900 1.00 10.00 N ATOM 147 CA GLN A 29 -12.126 -7.131 2.550 1.00 10.00 C ATOM 148 C GLN A 29 -12.498 -8.566 2.183 1.00 10.00 C ATOM 149 O GLN A 29 -13.241 -9.233 2.904 1.00 10.00 O ATOM 150 CB GLN A 29 -13.258 -6.181 2.147 1.00 10.00 C ATOM 151 CG GLN A 29 -14.426 -6.162 3.126 1.00 10.00 C ATOM 152 CD GLN A 29 -14.159 -5.294 4.339 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.408 -4.088 4.321 1.00 10.00 O ATOM 154 NE2 GLN A 29 -13.660 -5.898 5.402 1.00 10.00 N ATOM 0 H GLN A 29 -10.980 -5.965 1.233 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.979 -7.079 3.629 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.857 -5.172 2.056 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.627 -6.468 1.162 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.318 -5.800 2.614 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.638 -7.180 3.453 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.468 -6.899 5.376 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.467 -5.363 6.249 1.00 10.00 H new ATOM 163 N ASP A 30 -11.960 -9.040 1.067 1.00 10.00 N ATOM 164 CA ASP A 30 -12.231 -10.391 0.594 1.00 10.00 C ATOM 165 C ASP A 30 -11.189 -11.371 1.127 1.00 10.00 C ATOM 166 O ASP A 30 -11.113 -12.512 0.672 1.00 10.00 O ATOM 167 CB ASP A 30 -12.235 -10.430 -0.938 1.00 10.00 C ATOM 168 CG ASP A 30 -10.854 -10.212 -1.528 1.00 10.00 C ATOM 169 OD1 ASP A 30 -10.261 -9.139 -1.279 1.00 10.00 O ATOM 170 OD2 ASP A 30 -10.355 -11.106 -2.242 1.00 10.00 O ATOM 0 H ASP A 30 -11.330 -8.505 0.469 1.00 10.00 H new ATOM 0 HA ASP A 30 -13.213 -10.686 0.964 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -12.622 -11.392 -1.273 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -12.913 -9.665 -1.316 1.00 10.00 H new ATOM 175 N SER A 31 -10.398 -10.911 2.098 1.00 10.00 N ATOM 176 CA SER A 31 -9.352 -11.723 2.714 1.00 10.00 C ATOM 177 C SER A 31 -8.252 -12.051 1.704 1.00 10.00 C ATOM 178 O SER A 31 -7.858 -13.208 1.540 1.00 10.00 O ATOM 179 CB SER A 31 -9.941 -13.005 3.312 1.00 10.00 C ATOM 180 OG SER A 31 -11.031 -12.708 4.173 1.00 10.00 O ATOM 0 H SER A 31 -10.466 -9.967 2.478 1.00 10.00 H new ATOM 0 HA SER A 31 -8.906 -11.144 3.523 1.00 10.00 H new ATOM 0 HB2 SER A 31 -10.274 -13.665 2.511 1.00 10.00 H new ATOM 0 HB3 SER A 31 -9.170 -13.540 3.866 1.00 10.00 H new ATOM 0 HG SER A 31 -11.393 -13.541 4.542 1.00 10.00 H new ATOM 186 N SER A 32 -7.768 -11.024 1.025 1.00 10.00 N ATOM 187 CA SER A 32 -6.712 -11.185 0.039 1.00 10.00 C ATOM 188 C SER A 32 -5.342 -10.973 0.685 1.00 10.00 C ATOM 189 O SER A 32 -5.250 -10.483 1.809 1.00 10.00 O ATOM 190 CB SER A 32 -6.927 -10.192 -1.102 1.00 10.00 C ATOM 191 OG SER A 32 -7.721 -9.097 -0.673 1.00 10.00 O ATOM 0 H SER A 32 -8.092 -10.064 1.140 1.00 10.00 H new ATOM 0 HA SER A 32 -6.744 -12.199 -0.360 1.00 10.00 H new ATOM 0 HB2 SER A 32 -5.964 -9.830 -1.462 1.00 10.00 H new ATOM 0 HB3 SER A 32 -7.412 -10.693 -1.940 1.00 10.00 H new ATOM 0 HG SER A 32 -8.562 -9.086 -1.176 1.00 10.00 H new ATOM 197 N GLU A 33 -4.287 -11.342 -0.031 1.00 10.00 N ATOM 198 CA GLU A 33 -2.925 -11.198 0.470 1.00 10.00 C ATOM 199 C GLU A 33 -2.050 -10.566 -0.610 1.00 10.00 C ATOM 200 O GLU A 33 -1.135 -11.194 -1.134 1.00 10.00 O ATOM 201 CB GLU A 33 -2.366 -12.571 0.874 1.00 10.00 C ATOM 202 CG GLU A 33 -1.119 -12.505 1.744 1.00 10.00 C ATOM 203 CD GLU A 33 -0.356 -13.816 1.768 1.00 10.00 C ATOM 204 OE1 GLU A 33 0.707 -13.903 1.119 1.00 10.00 O ATOM 205 OE2 GLU A 33 -0.810 -14.769 2.439 1.00 10.00 O ATOM 0 H GLU A 33 -4.349 -11.745 -0.966 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.928 -10.553 1.349 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.139 -13.123 1.408 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.136 -13.137 -0.029 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -0.465 -11.715 1.376 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -1.404 -12.236 2.761 1.00 10.00 H new ATOM 212 N ILE A 34 -2.344 -9.319 -0.946 1.00 10.00 N ATOM 213 CA ILE A 34 -1.598 -8.614 -1.985 1.00 10.00 C ATOM 214 C ILE A 34 -0.164 -8.335 -1.537 1.00 10.00 C ATOM 215 O ILE A 34 0.068 -7.887 -0.415 1.00 10.00 O ATOM 216 CB ILE A 34 -2.287 -7.287 -2.373 1.00 10.00 C ATOM 217 CG1 ILE A 34 -3.798 -7.494 -2.561 1.00 10.00 C ATOM 218 CG2 ILE A 34 -1.665 -6.714 -3.639 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.152 -8.489 -3.648 1.00 10.00 C ATOM 0 H ILE A 34 -3.091 -8.773 -0.517 1.00 10.00 H new ATOM 0 HA ILE A 34 -1.577 -9.263 -2.860 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.138 -6.574 -1.562 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.228 -7.832 -1.618 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.260 -6.535 -2.796 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.162 -5.779 -3.898 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.605 -6.526 -3.471 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.782 -7.426 -4.456 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.236 -8.580 -3.719 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -3.753 -8.143 -4.602 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -3.722 -9.461 -3.406 1.00 10.00 H new ATOM 231 N HIS A 35 0.789 -8.595 -2.428 1.00 10.00 N ATOM 232 CA HIS A 35 2.203 -8.392 -2.138 1.00 10.00 C ATOM 233 C HIS A 35 2.715 -7.135 -2.824 1.00 10.00 C ATOM 234 O HIS A 35 2.975 -7.134 -4.027 1.00 10.00 O ATOM 235 CB HIS A 35 3.020 -9.597 -2.609 1.00 10.00 C ATOM 236 CG HIS A 35 2.904 -10.800 -1.724 1.00 10.00 C ATOM 237 ND1 HIS A 35 3.719 -11.890 -1.896 1.00 10.00 N ATOM 238 CD2 HIS A 35 2.068 -11.034 -0.685 1.00 10.00 C ATOM 239 CE1 HIS A 35 3.366 -12.756 -0.964 1.00 10.00 C ATOM 240 NE2 HIS A 35 2.367 -12.283 -0.205 1.00 10.00 N ATOM 0 H HIS A 35 0.603 -8.950 -3.366 1.00 10.00 H new ATOM 0 HA HIS A 35 2.315 -8.279 -1.060 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.700 -9.868 -3.615 1.00 10.00 H new ATOM 0 HB3 HIS A 35 4.069 -9.308 -2.675 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.310 -10.364 -0.306 1.00 10.00 H new ATOM 0 HE1 HIS A 35 3.825 -13.725 -0.830 1.00 10.00 H new ATOM 0 HE2 HIS A 35 1.917 -12.759 0.577 1.00 10.00 H new ATOM 248 N PHE A 36 2.865 -6.069 -2.064 1.00 10.00 N ATOM 249 CA PHE A 36 3.342 -4.812 -2.617 1.00 10.00 C ATOM 250 C PHE A 36 4.847 -4.670 -2.419 1.00 10.00 C ATOM 251 O PHE A 36 5.323 -4.578 -1.286 1.00 10.00 O ATOM 252 CB PHE A 36 2.617 -3.634 -1.958 1.00 10.00 C ATOM 253 CG PHE A 36 2.305 -2.505 -2.905 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.977 -2.376 -4.113 1.00 10.00 C ATOM 255 CD2 PHE A 36 1.335 -1.571 -2.584 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.682 -1.342 -4.980 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.038 -0.535 -3.448 1.00 10.00 C ATOM 258 CZ PHE A 36 1.713 -0.418 -4.646 1.00 10.00 C ATOM 0 H PHE A 36 2.665 -6.045 -1.064 1.00 10.00 H new ATOM 0 HA PHE A 36 3.131 -4.809 -3.686 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.687 -3.993 -1.517 1.00 10.00 H new ATOM 0 HB3 PHE A 36 3.231 -3.252 -1.142 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.740 -3.093 -4.378 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.804 -1.653 -1.647 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.209 -1.257 -5.919 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.276 0.184 -3.186 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.484 0.394 -5.320 1.00 10.00 H new ATOM 268 N LYS A 37 5.595 -4.663 -3.517 1.00 10.00 N ATOM 269 CA LYS A 37 7.046 -4.519 -3.444 1.00 10.00 C ATOM 270 C LYS A 37 7.424 -3.042 -3.498 1.00 10.00 C ATOM 271 O LYS A 37 7.403 -2.424 -4.564 1.00 10.00 O ATOM 272 CB LYS A 37 7.734 -5.291 -4.579 1.00 10.00 C ATOM 273 CG LYS A 37 9.254 -5.272 -4.496 1.00 10.00 C ATOM 274 CD LYS A 37 9.896 -6.041 -5.644 1.00 10.00 C ATOM 275 CE LYS A 37 9.729 -7.547 -5.484 1.00 10.00 C ATOM 276 NZ LYS A 37 10.591 -8.306 -6.432 1.00 10.00 N ATOM 0 H LYS A 37 5.224 -4.755 -4.463 1.00 10.00 H new ATOM 0 HA LYS A 37 7.388 -4.940 -2.498 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.391 -6.325 -4.564 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.425 -4.867 -5.535 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.605 -4.240 -4.509 1.00 10.00 H new ATOM 0 HG3 LYS A 37 9.571 -5.705 -3.547 1.00 10.00 H new ATOM 0 HD2 LYS A 37 9.450 -5.725 -6.587 1.00 10.00 H new ATOM 0 HD3 LYS A 37 10.957 -5.797 -5.696 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.975 -7.833 -4.461 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.685 -7.816 -5.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.448 -9.326 -6.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.339 -8.053 -7.409 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.589 -8.069 -6.259 1.00 10.00 H new ATOM 290 N VAL A 38 7.760 -2.480 -2.345 1.00 10.00 N ATOM 291 CA VAL A 38 8.126 -1.072 -2.258 1.00 10.00 C ATOM 292 C VAL A 38 9.621 -0.901 -1.982 1.00 10.00 C ATOM 293 O VAL A 38 10.291 -1.825 -1.507 1.00 10.00 O ATOM 294 CB VAL A 38 7.310 -0.334 -1.164 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.828 -0.643 -1.300 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.802 -0.699 0.229 1.00 10.00 C ATOM 0 H VAL A 38 7.787 -2.978 -1.455 1.00 10.00 H new ATOM 0 HA VAL A 38 7.891 -0.628 -3.226 1.00 10.00 H new ATOM 0 HB VAL A 38 7.457 0.737 -1.305 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.274 -0.116 -0.524 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.477 -0.319 -2.280 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.669 -1.716 -1.194 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.211 -0.167 0.975 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.697 -1.773 0.382 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.851 -0.419 0.329 1.00 10.00 H new ATOM 306 N LYS A 39 10.136 0.284 -2.275 1.00 10.00 N ATOM 307 CA LYS A 39 11.544 0.579 -2.063 1.00 10.00 C ATOM 308 C LYS A 39 11.711 1.537 -0.887 1.00 10.00 C ATOM 309 O LYS A 39 10.930 2.478 -0.722 1.00 10.00 O ATOM 310 CB LYS A 39 12.156 1.182 -3.329 1.00 10.00 C ATOM 311 CG LYS A 39 13.674 1.253 -3.292 1.00 10.00 C ATOM 312 CD LYS A 39 14.240 1.821 -4.582 1.00 10.00 C ATOM 313 CE LYS A 39 15.733 2.074 -4.475 1.00 10.00 C ATOM 314 NZ LYS A 39 16.259 2.791 -5.665 1.00 10.00 N ATOM 0 H LYS A 39 9.597 1.059 -2.662 1.00 10.00 H new ATOM 0 HA LYS A 39 12.065 -0.351 -1.833 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.848 0.589 -4.190 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.756 2.186 -3.474 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.989 1.872 -2.452 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.081 0.256 -3.123 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.046 1.128 -5.401 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.729 2.753 -4.825 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.939 2.659 -3.578 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.255 1.124 -4.363 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 17.292 2.885 -5.585 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.025 2.255 -6.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.829 3.736 -5.719 1.00 10.00 H new ATOM 328 N MET A 40 12.729 1.296 -0.074 1.00 10.00 N ATOM 329 CA MET A 40 12.992 2.128 1.091 1.00 10.00 C ATOM 330 C MET A 40 13.741 3.398 0.691 1.00 10.00 C ATOM 331 O MET A 40 14.964 3.477 0.822 1.00 10.00 O ATOM 332 CB MET A 40 13.790 1.338 2.138 1.00 10.00 C ATOM 333 CG MET A 40 14.088 2.119 3.407 1.00 10.00 C ATOM 334 SD MET A 40 12.598 2.614 4.289 1.00 10.00 S ATOM 335 CE MET A 40 12.014 1.023 4.873 1.00 10.00 C ATOM 0 H MET A 40 13.389 0.528 -0.200 1.00 10.00 H new ATOM 0 HA MET A 40 12.038 2.421 1.529 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.234 0.438 2.400 1.00 10.00 H new ATOM 0 HB3 MET A 40 14.731 1.014 1.694 1.00 10.00 H new ATOM 0 HG2 MET A 40 14.709 1.511 4.065 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.667 3.007 3.154 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.386 1.166 5.752 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.434 0.538 4.088 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.866 0.396 5.135 1.00 10.00 H new ATOM 345 N THR A 41 12.992 4.370 0.172 1.00 10.00 N ATOM 346 CA THR A 41 13.545 5.660 -0.249 1.00 10.00 C ATOM 347 C THR A 41 12.505 6.456 -1.031 1.00 10.00 C ATOM 348 O THR A 41 12.612 7.679 -1.163 1.00 10.00 O ATOM 349 CB THR A 41 14.823 5.513 -1.117 1.00 10.00 C ATOM 350 OG1 THR A 41 15.445 6.792 -1.294 1.00 10.00 O ATOM 351 CG2 THR A 41 14.509 4.921 -2.480 1.00 10.00 C ATOM 0 H THR A 41 11.985 4.287 0.031 1.00 10.00 H new ATOM 0 HA THR A 41 13.819 6.188 0.664 1.00 10.00 H new ATOM 0 HB THR A 41 15.499 4.836 -0.594 1.00 10.00 H new ATOM 0 HG1 THR A 41 14.757 7.471 -1.456 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.428 4.833 -3.059 1.00 10.00 H new ATOM 0 HG22 THR A 41 14.064 3.934 -2.354 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.809 5.570 -3.006 1.00 10.00 H new ATOM 359 N THR A 42 11.511 5.755 -1.554 1.00 10.00 N ATOM 360 CA THR A 42 10.453 6.376 -2.328 1.00 10.00 C ATOM 361 C THR A 42 9.254 6.703 -1.441 1.00 10.00 C ATOM 362 O THR A 42 8.990 6.004 -0.461 1.00 10.00 O ATOM 363 CB THR A 42 10.010 5.439 -3.467 1.00 10.00 C ATOM 364 OG1 THR A 42 11.110 4.606 -3.859 1.00 10.00 O ATOM 365 CG2 THR A 42 9.516 6.226 -4.670 1.00 10.00 C ATOM 0 H THR A 42 11.417 4.744 -1.453 1.00 10.00 H new ATOM 0 HA THR A 42 10.840 7.303 -2.751 1.00 10.00 H new ATOM 0 HB THR A 42 9.188 4.824 -3.101 1.00 10.00 H new ATOM 0 HG1 THR A 42 11.793 5.153 -4.301 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.211 5.535 -5.456 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.665 6.842 -4.378 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.317 6.866 -5.040 1.00 10.00 H new ATOM 373 N HIS A 43 8.544 7.776 -1.775 1.00 10.00 N ATOM 374 CA HIS A 43 7.369 8.183 -1.010 1.00 10.00 C ATOM 375 C HIS A 43 6.216 7.223 -1.273 1.00 10.00 C ATOM 376 O HIS A 43 6.087 6.688 -2.374 1.00 10.00 O ATOM 377 CB HIS A 43 6.931 9.603 -1.386 1.00 10.00 C ATOM 378 CG HIS A 43 7.992 10.642 -1.204 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.550 11.291 -2.278 1.00 10.00 N ATOM 380 CD2 HIS A 43 8.541 11.121 -0.062 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.419 12.145 -1.770 1.00 10.00 C ATOM 382 NE2 HIS A 43 9.450 12.077 -0.432 1.00 10.00 N ATOM 0 H HIS A 43 8.761 8.379 -2.569 1.00 10.00 H new ATOM 0 HA HIS A 43 7.636 8.164 0.047 1.00 10.00 H new ATOM 0 HB2 HIS A 43 6.609 9.608 -2.427 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.065 9.875 -0.783 1.00 10.00 H new ATOM 0 HD2 HIS A 43 8.307 10.810 0.945 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.029 12.814 -2.359 1.00 10.00 H new ATOM 0 HE2 HIS A 43 10.038 12.631 0.191 1.00 10.00 H new ATOM 390 N LEU A 44 5.366 7.029 -0.274 1.00 10.00 N ATOM 391 CA LEU A 44 4.226 6.131 -0.405 1.00 10.00 C ATOM 392 C LEU A 44 3.139 6.746 -1.282 1.00 10.00 C ATOM 393 O LEU A 44 2.133 6.101 -1.577 1.00 10.00 O ATOM 394 CB LEU A 44 3.666 5.769 0.970 1.00 10.00 C ATOM 395 CG LEU A 44 4.608 4.941 1.850 1.00 10.00 C ATOM 396 CD1 LEU A 44 3.969 4.659 3.194 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.986 3.638 1.162 1.00 10.00 C ATOM 0 H LEU A 44 5.444 7.482 0.637 1.00 10.00 H new ATOM 0 HA LEU A 44 4.572 5.218 -0.889 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.414 6.689 1.498 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.737 5.214 0.834 1.00 10.00 H new ATOM 0 HG LEU A 44 5.517 5.520 2.011 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.653 4.070 3.805 1.00 10.00 H new ATOM 0 HD12 LEU A 44 3.751 5.601 3.698 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.043 4.103 3.047 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.655 3.067 1.806 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.086 3.055 0.967 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.488 3.857 0.220 1.00 10.00 H new ATOM 409 N LYS A 45 3.356 7.988 -1.706 1.00 10.00 N ATOM 410 CA LYS A 45 2.413 8.682 -2.571 1.00 10.00 C ATOM 411 C LYS A 45 2.190 7.893 -3.852 1.00 10.00 C ATOM 412 O LYS A 45 1.054 7.568 -4.204 1.00 10.00 O ATOM 413 CB LYS A 45 2.924 10.084 -2.922 1.00 10.00 C ATOM 414 CG LYS A 45 2.264 10.671 -4.160 1.00 10.00 C ATOM 415 CD LYS A 45 2.343 12.187 -4.186 1.00 10.00 C ATOM 416 CE LYS A 45 1.401 12.765 -5.232 1.00 10.00 C ATOM 417 NZ LYS A 45 0.086 12.070 -5.229 1.00 10.00 N ATOM 0 H LYS A 45 4.182 8.535 -1.462 1.00 10.00 H new ATOM 0 HA LYS A 45 1.470 8.773 -2.032 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.750 10.749 -2.076 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.002 10.042 -3.078 1.00 10.00 H new ATOM 0 HG2 LYS A 45 2.744 10.268 -5.052 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.219 10.362 -4.194 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.089 12.585 -3.203 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.365 12.498 -4.401 1.00 10.00 H new ATOM 0 HE2 LYS A 45 1.252 13.828 -5.041 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.856 12.680 -6.219 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.638 12.695 -5.639 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.152 11.199 -5.794 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -0.177 11.829 -4.252 1.00 10.00 H new ATOM 431 N LYS A 46 3.285 7.562 -4.530 1.00 10.00 N ATOM 432 CA LYS A 46 3.212 6.823 -5.778 1.00 10.00 C ATOM 433 C LYS A 46 2.631 5.438 -5.542 1.00 10.00 C ATOM 434 O LYS A 46 1.927 4.901 -6.391 1.00 10.00 O ATOM 435 CB LYS A 46 4.592 6.718 -6.434 1.00 10.00 C ATOM 436 CG LYS A 46 4.530 6.460 -7.933 1.00 10.00 C ATOM 437 CD LYS A 46 3.961 7.658 -8.679 1.00 10.00 C ATOM 438 CE LYS A 46 3.402 7.266 -10.035 1.00 10.00 C ATOM 439 NZ LYS A 46 2.535 8.330 -10.604 1.00 10.00 N ATOM 0 H LYS A 46 4.232 7.796 -4.233 1.00 10.00 H new ATOM 0 HA LYS A 46 2.554 7.367 -6.456 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.143 7.641 -6.254 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.153 5.914 -5.957 1.00 10.00 H new ATOM 0 HG2 LYS A 46 5.529 6.237 -8.307 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.914 5.582 -8.128 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.174 8.118 -8.081 1.00 10.00 H new ATOM 0 HD3 LYS A 46 4.741 8.408 -8.811 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.224 7.061 -10.721 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.829 6.343 -9.939 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.040 7.963 -11.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.838 8.627 -9.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.120 9.145 -10.877 1.00 10.00 H new ATOM 453 N LEU A 47 2.910 4.879 -4.372 1.00 10.00 N ATOM 454 CA LEU A 47 2.409 3.558 -4.016 1.00 10.00 C ATOM 455 C LEU A 47 0.886 3.584 -3.912 1.00 10.00 C ATOM 456 O LEU A 47 0.211 2.650 -4.347 1.00 10.00 O ATOM 457 CB LEU A 47 3.028 3.083 -2.693 1.00 10.00 C ATOM 458 CG LEU A 47 4.449 2.507 -2.791 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.549 1.509 -3.928 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.480 3.609 -2.970 1.00 10.00 C ATOM 0 H LEU A 47 3.482 5.321 -3.652 1.00 10.00 H new ATOM 0 HA LEU A 47 2.695 2.856 -4.799 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.043 3.923 -1.998 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.377 2.323 -2.261 1.00 10.00 H new ATOM 0 HG LEU A 47 4.659 1.992 -1.854 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.564 1.115 -3.978 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.850 0.691 -3.756 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.305 2.003 -4.868 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.475 3.169 -3.036 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.266 4.162 -3.885 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.439 4.287 -2.118 1.00 10.00 H new ATOM 472 N LYS A 48 0.358 4.667 -3.348 1.00 10.00 N ATOM 473 CA LYS A 48 -1.084 4.838 -3.200 1.00 10.00 C ATOM 474 C LYS A 48 -1.774 4.810 -4.560 1.00 10.00 C ATOM 475 O LYS A 48 -2.731 4.061 -4.768 1.00 10.00 O ATOM 476 CB LYS A 48 -1.403 6.166 -2.500 1.00 10.00 C ATOM 477 CG LYS A 48 -1.174 6.149 -0.996 1.00 10.00 C ATOM 478 CD LYS A 48 -1.523 7.491 -0.360 1.00 10.00 C ATOM 479 CE LYS A 48 -3.017 7.787 -0.442 1.00 10.00 C ATOM 480 NZ LYS A 48 -3.345 9.158 0.038 1.00 10.00 N ATOM 0 H LYS A 48 0.911 5.443 -2.984 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.455 4.012 -2.593 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.790 6.952 -2.941 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.444 6.426 -2.695 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.779 5.363 -0.544 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -0.131 5.908 -0.789 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -1.210 7.491 0.684 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.968 8.285 -0.859 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -3.352 7.675 -1.473 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -3.564 7.055 0.152 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -4.313 9.404 -0.250 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -3.274 9.189 1.075 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.677 9.840 -0.375 1.00 10.00 H new ATOM 494 N GLU A 49 -1.269 5.613 -5.489 1.00 10.00 N ATOM 495 CA GLU A 49 -1.853 5.693 -6.824 1.00 10.00 C ATOM 496 C GLU A 49 -1.621 4.407 -7.613 1.00 10.00 C ATOM 497 O GLU A 49 -2.495 3.974 -8.362 1.00 10.00 O ATOM 498 CB GLU A 49 -1.320 6.905 -7.602 1.00 10.00 C ATOM 499 CG GLU A 49 -0.028 7.491 -7.055 1.00 10.00 C ATOM 500 CD GLU A 49 0.282 8.852 -7.641 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.178 9.862 -6.908 1.00 10.00 O ATOM 502 OE2 GLU A 49 0.618 8.919 -8.841 1.00 10.00 O ATOM 0 H GLU A 49 -0.459 6.216 -5.344 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.928 5.822 -6.694 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.160 6.612 -8.640 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -2.084 7.683 -7.605 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.100 7.573 -5.971 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.796 6.810 -7.269 1.00 10.00 H new ATOM 509 N SER A 50 -0.458 3.788 -7.431 1.00 10.00 N ATOM 510 CA SER A 50 -0.141 2.549 -8.134 1.00 10.00 C ATOM 511 C SER A 50 -1.117 1.442 -7.744 1.00 10.00 C ATOM 512 O SER A 50 -1.570 0.671 -8.594 1.00 10.00 O ATOM 513 CB SER A 50 1.297 2.115 -7.842 1.00 10.00 C ATOM 514 OG SER A 50 2.223 3.100 -8.269 1.00 10.00 O ATOM 0 H SER A 50 0.276 4.122 -6.807 1.00 10.00 H new ATOM 0 HA SER A 50 -0.237 2.733 -9.204 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.417 1.937 -6.773 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.505 1.172 -8.347 1.00 10.00 H new ATOM 0 HG SER A 50 2.503 3.641 -7.501 1.00 10.00 H new ATOM 520 N TYR A 51 -1.449 1.373 -6.457 1.00 10.00 N ATOM 521 CA TYR A 51 -2.386 0.371 -5.969 1.00 10.00 C ATOM 522 C TYR A 51 -3.770 0.631 -6.551 1.00 10.00 C ATOM 523 O TYR A 51 -4.497 -0.305 -6.894 1.00 10.00 O ATOM 524 CB TYR A 51 -2.448 0.385 -4.440 1.00 10.00 C ATOM 525 CG TYR A 51 -3.096 -0.847 -3.844 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.347 -1.983 -3.565 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.455 -0.874 -3.557 1.00 10.00 C ATOM 528 CE1 TYR A 51 -2.934 -3.109 -3.024 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.050 -1.997 -3.014 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.283 -3.111 -2.747 1.00 10.00 C ATOM 531 OH TYR A 51 -4.871 -4.232 -2.207 1.00 10.00 O ATOM 0 H TYR A 51 -1.084 1.997 -5.738 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.040 -0.612 -6.288 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.436 0.479 -4.045 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.000 1.267 -4.116 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.288 -1.985 -3.775 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.058 -0.001 -3.762 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.337 -3.986 -2.819 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.109 -2.002 -2.800 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.827 -4.067 -2.072 1.00 10.00 H new ATOM 541 N CYS A 52 -4.122 1.907 -6.668 1.00 10.00 N ATOM 542 CA CYS A 52 -5.410 2.296 -7.225 1.00 10.00 C ATOM 543 C CYS A 52 -5.526 1.804 -8.665 1.00 10.00 C ATOM 544 O CYS A 52 -6.556 1.265 -9.069 1.00 10.00 O ATOM 545 CB CYS A 52 -5.584 3.817 -7.167 1.00 10.00 C ATOM 546 SG CYS A 52 -5.540 4.505 -5.495 1.00 10.00 S ATOM 0 H CYS A 52 -3.532 2.689 -6.384 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.200 1.838 -6.630 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.798 4.284 -7.761 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.534 4.081 -7.631 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.305 4.680 -5.130 1.00 10.00 H new ATOM 552 N GLN A 53 -4.447 1.963 -9.423 1.00 10.00 N ATOM 553 CA GLN A 53 -4.411 1.530 -10.815 1.00 10.00 C ATOM 554 C GLN A 53 -4.492 0.010 -10.892 1.00 10.00 C ATOM 555 O GLN A 53 -5.196 -0.546 -11.735 1.00 10.00 O ATOM 556 CB GLN A 53 -3.123 2.012 -11.491 1.00 10.00 C ATOM 557 CG GLN A 53 -2.931 3.519 -11.449 1.00 10.00 C ATOM 558 CD GLN A 53 -1.509 3.931 -11.781 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.563 3.175 -11.557 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.346 5.133 -12.316 1.00 10.00 N ATOM 0 H GLN A 53 -3.581 2.391 -9.095 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.266 1.963 -11.334 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.271 1.534 -11.009 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.126 1.685 -12.531 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.617 3.990 -12.154 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.191 3.888 -10.457 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.156 5.730 -12.486 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.411 5.461 -12.558 1.00 10.00 H new ATOM 569 N ARG A 54 -3.773 -0.656 -9.993 1.00 10.00 N ATOM 570 CA ARG A 54 -3.750 -2.114 -9.947 1.00 10.00 C ATOM 571 C ARG A 54 -5.146 -2.685 -9.701 1.00 10.00 C ATOM 572 O ARG A 54 -5.531 -3.682 -10.311 1.00 10.00 O ATOM 573 CB ARG A 54 -2.792 -2.591 -8.849 1.00 10.00 C ATOM 574 CG ARG A 54 -2.541 -4.093 -8.846 1.00 10.00 C ATOM 575 CD ARG A 54 -1.858 -4.545 -10.126 1.00 10.00 C ATOM 576 NE ARG A 54 -1.434 -5.944 -10.069 1.00 10.00 N ATOM 577 CZ ARG A 54 -0.762 -6.558 -11.042 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.436 -5.896 -12.148 1.00 10.00 N ATOM 579 NH2 ARG A 54 -0.420 -7.831 -10.908 1.00 10.00 N ATOM 0 H ARG A 54 -3.196 -0.206 -9.283 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.401 -2.474 -10.915 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -1.839 -2.075 -8.965 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.196 -2.300 -7.879 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -1.922 -4.358 -7.989 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.488 -4.621 -8.731 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.540 -4.409 -10.966 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -0.990 -3.913 -10.314 1.00 10.00 H new ATOM 0 HE ARG A 54 -1.667 -6.482 -9.234 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.700 -4.916 -12.253 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.078 -6.368 -12.892 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -0.671 -8.340 -10.061 1.00 10.00 H new ATOM 0 HH22 ARG A 54 0.094 -8.302 -11.652 1.00 10.00 H new ATOM 593 N GLN A 55 -5.900 -2.051 -8.812 1.00 10.00 N ATOM 594 CA GLN A 55 -7.245 -2.515 -8.494 1.00 10.00 C ATOM 595 C GLN A 55 -8.273 -1.985 -9.490 1.00 10.00 C ATOM 596 O GLN A 55 -9.330 -2.583 -9.675 1.00 10.00 O ATOM 597 CB GLN A 55 -7.636 -2.103 -7.073 1.00 10.00 C ATOM 598 CG GLN A 55 -6.870 -2.843 -5.984 1.00 10.00 C ATOM 599 CD GLN A 55 -6.667 -4.314 -6.299 1.00 10.00 C ATOM 600 OE1 GLN A 55 -5.630 -4.713 -6.829 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.659 -5.127 -5.980 1.00 10.00 N ATOM 0 H GLN A 55 -5.606 -1.219 -8.301 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.237 -3.603 -8.561 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.470 -1.032 -6.957 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.703 -2.277 -6.935 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.898 -2.369 -5.845 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.408 -2.750 -5.041 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.502 -4.756 -5.542 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.582 -6.126 -6.172 1.00 10.00 H new ATOM 610 N GLY A 56 -7.965 -0.865 -10.124 1.00 10.00 N ATOM 611 CA GLY A 56 -8.882 -0.290 -11.090 1.00 10.00 C ATOM 612 C GLY A 56 -9.813 0.728 -10.461 1.00 10.00 C ATOM 613 O GLY A 56 -11.008 0.751 -10.751 1.00 10.00 O ATOM 0 H GLY A 56 -7.099 -0.343 -9.989 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.314 0.185 -11.890 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.471 -1.085 -11.547 1.00 10.00 H new ATOM 617 N VAL A 57 -9.264 1.557 -9.588 1.00 10.00 N ATOM 618 CA VAL A 57 -10.033 2.590 -8.907 1.00 10.00 C ATOM 619 C VAL A 57 -9.303 3.927 -8.990 1.00 10.00 C ATOM 620 O VAL A 57 -8.086 3.957 -9.181 1.00 10.00 O ATOM 621 CB VAL A 57 -10.274 2.231 -7.422 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.390 1.211 -7.290 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.002 1.706 -6.776 1.00 10.00 C ATOM 0 H VAL A 57 -8.277 1.535 -9.331 1.00 10.00 H new ATOM 0 HA VAL A 57 -11.000 2.664 -9.405 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.572 3.142 -6.902 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.543 0.973 -6.237 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.310 1.622 -7.706 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.120 0.304 -7.832 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.198 1.461 -5.732 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.669 0.811 -7.302 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.225 2.469 -6.830 1.00 10.00 H new ATOM 633 N PRO A 58 -10.030 5.051 -8.889 1.00 10.00 N ATOM 634 CA PRO A 58 -9.424 6.383 -8.947 1.00 10.00 C ATOM 635 C PRO A 58 -8.510 6.656 -7.749 1.00 10.00 C ATOM 636 O PRO A 58 -8.524 5.915 -6.766 1.00 10.00 O ATOM 637 CB PRO A 58 -10.628 7.331 -8.940 1.00 10.00 C ATOM 638 CG PRO A 58 -11.749 6.543 -8.361 1.00 10.00 C ATOM 639 CD PRO A 58 -11.495 5.111 -8.730 1.00 10.00 C ATOM 0 HA PRO A 58 -8.786 6.502 -9.822 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -10.424 8.220 -8.344 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.866 7.671 -9.948 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.790 6.664 -7.278 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.707 6.882 -8.756 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.843 4.429 -7.954 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -12.010 4.836 -9.650 1.00 10.00 H new ATOM 647 N MET A 59 -7.718 7.713 -7.839 1.00 10.00 N ATOM 648 CA MET A 59 -6.796 8.074 -6.771 1.00 10.00 C ATOM 649 C MET A 59 -7.547 8.491 -5.509 1.00 10.00 C ATOM 650 O MET A 59 -8.547 9.214 -5.580 1.00 10.00 O ATOM 651 CB MET A 59 -5.873 9.206 -7.232 1.00 10.00 C ATOM 652 CG MET A 59 -4.436 9.083 -6.740 1.00 10.00 C ATOM 653 SD MET A 59 -4.283 9.261 -4.949 1.00 10.00 S ATOM 654 CE MET A 59 -2.501 9.320 -4.764 1.00 10.00 C ATOM 0 H MET A 59 -7.695 8.339 -8.644 1.00 10.00 H new ATOM 0 HA MET A 59 -6.196 7.196 -6.532 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.870 9.236 -8.322 1.00 10.00 H new ATOM 0 HB3 MET A 59 -6.282 10.156 -6.888 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.038 8.113 -7.038 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.825 9.842 -7.228 1.00 10.00 H new ATOM 0 HE1 MET A 59 -2.193 8.624 -3.984 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.028 9.042 -5.706 1.00 10.00 H new ATOM 0 HE3 MET A 59 -2.197 10.330 -4.489 1.00 10.00 H new ATOM 664 N ASN A 60 -7.059 8.002 -4.369 1.00 10.00 N ATOM 665 CA ASN A 60 -7.616 8.311 -3.050 1.00 10.00 C ATOM 666 C ASN A 60 -9.012 7.729 -2.847 1.00 10.00 C ATOM 667 O ASN A 60 -9.783 8.230 -2.030 1.00 10.00 O ATOM 668 CB ASN A 60 -7.636 9.825 -2.805 1.00 10.00 C ATOM 669 CG ASN A 60 -6.562 10.276 -1.832 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.084 9.497 -0.998 1.00 10.00 O ATOM 671 ND2 ASN A 60 -6.175 11.536 -1.925 1.00 10.00 N ATOM 0 H ASN A 60 -6.257 7.373 -4.334 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.959 7.837 -2.321 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.502 10.344 -3.754 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.614 10.113 -2.419 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -5.458 11.897 -1.296 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -6.593 12.148 -2.626 1.00 10.00 H new ATOM 678 N SER A 61 -9.338 6.671 -3.572 1.00 10.00 N ATOM 679 CA SER A 61 -10.637 6.034 -3.422 1.00 10.00 C ATOM 680 C SER A 61 -10.598 5.056 -2.255 1.00 10.00 C ATOM 681 O SER A 61 -11.606 4.814 -1.582 1.00 10.00 O ATOM 682 CB SER A 61 -11.019 5.304 -4.706 1.00 10.00 C ATOM 683 OG SER A 61 -9.966 4.463 -5.142 1.00 10.00 O ATOM 0 H SER A 61 -8.727 6.238 -4.265 1.00 10.00 H new ATOM 0 HA SER A 61 -11.387 6.800 -3.222 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.918 4.711 -4.538 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.257 6.029 -5.484 1.00 10.00 H new ATOM 0 HG SER A 61 -9.523 4.868 -5.917 1.00 10.00 H new ATOM 689 N LEU A 62 -9.416 4.509 -2.018 1.00 10.00 N ATOM 690 CA LEU A 62 -9.214 3.553 -0.945 1.00 10.00 C ATOM 691 C LEU A 62 -8.256 4.116 0.096 1.00 10.00 C ATOM 692 O LEU A 62 -7.256 4.749 -0.244 1.00 10.00 O ATOM 693 CB LEU A 62 -8.657 2.238 -1.503 1.00 10.00 C ATOM 694 CG LEU A 62 -9.426 1.645 -2.688 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.695 0.433 -3.243 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.841 1.273 -2.277 1.00 10.00 C ATOM 0 H LEU A 62 -8.577 4.714 -2.560 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.177 3.360 -0.472 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.624 2.402 -1.809 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.638 1.502 -0.699 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.486 2.401 -3.471 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.255 0.024 -4.084 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.701 0.730 -3.578 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.604 -0.325 -2.465 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.370 0.854 -3.133 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.805 0.535 -1.476 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.364 2.163 -1.927 1.00 10.00 H new ATOM 708 N ARG A 63 -8.571 3.887 1.358 1.00 10.00 N ATOM 709 CA ARG A 63 -7.737 4.355 2.447 1.00 10.00 C ATOM 710 C ARG A 63 -6.886 3.207 2.977 1.00 10.00 C ATOM 711 O ARG A 63 -7.401 2.135 3.309 1.00 10.00 O ATOM 712 CB ARG A 63 -8.588 4.959 3.572 1.00 10.00 C ATOM 713 CG ARG A 63 -9.634 4.015 4.145 1.00 10.00 C ATOM 714 CD ARG A 63 -10.331 4.623 5.352 1.00 10.00 C ATOM 715 NE ARG A 63 -11.392 3.760 5.870 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.693 3.968 5.664 1.00 10.00 C ATOM 717 NH1 ARG A 63 -13.110 5.026 4.974 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.584 3.118 6.156 1.00 10.00 N ATOM 0 H ARG A 63 -9.403 3.377 1.654 1.00 10.00 H new ATOM 0 HA ARG A 63 -7.081 5.139 2.069 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.928 5.282 4.377 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -9.089 5.850 3.194 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.372 3.779 3.378 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.160 3.076 4.432 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.598 4.807 6.138 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.753 5.590 5.077 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.120 2.948 6.424 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.432 5.688 4.596 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -14.108 5.175 4.822 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.274 2.307 6.691 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.580 3.275 6.000 1.00 10.00 H new ATOM 732 N PHE A 64 -5.585 3.424 3.027 1.00 10.00 N ATOM 733 CA PHE A 64 -4.658 2.415 3.512 1.00 10.00 C ATOM 734 C PHE A 64 -4.436 2.600 5.004 1.00 10.00 C ATOM 735 O PHE A 64 -3.912 3.629 5.438 1.00 10.00 O ATOM 736 CB PHE A 64 -3.331 2.510 2.757 1.00 10.00 C ATOM 737 CG PHE A 64 -3.484 2.368 1.270 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.609 3.488 0.461 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.519 1.114 0.682 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.759 3.357 -0.906 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.665 0.979 -0.684 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.790 2.102 -1.479 1.00 10.00 C ATOM 0 H PHE A 64 -5.143 4.296 2.736 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.081 1.426 3.338 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.863 3.469 2.977 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.657 1.735 3.122 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.589 4.473 0.904 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.431 0.232 1.299 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.852 4.236 -1.526 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.682 -0.004 -1.131 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.912 1.998 -2.547 1.00 10.00 H new ATOM 752 N LEU A 65 -4.841 1.612 5.783 1.00 10.00 N ATOM 753 CA LEU A 65 -4.705 1.680 7.228 1.00 10.00 C ATOM 754 C LEU A 65 -3.537 0.833 7.714 1.00 10.00 C ATOM 755 O LEU A 65 -3.509 -0.384 7.529 1.00 10.00 O ATOM 756 CB LEU A 65 -6.000 1.232 7.910 1.00 10.00 C ATOM 757 CG LEU A 65 -7.253 2.020 7.518 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.466 1.497 8.271 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.059 3.505 7.787 1.00 10.00 C ATOM 0 H LEU A 65 -5.267 0.752 5.439 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.505 2.718 7.494 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.166 0.179 7.681 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.867 1.306 8.989 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.423 1.885 6.450 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.348 2.068 7.981 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.619 0.445 8.029 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.302 1.603 9.343 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.960 4.047 7.502 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.863 3.660 8.848 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.215 3.873 7.204 1.00 10.00 H new ATOM 771 N PHE A 66 -2.578 1.495 8.332 1.00 10.00 N ATOM 772 CA PHE A 66 -1.402 0.840 8.868 1.00 10.00 C ATOM 773 C PHE A 66 -1.289 1.166 10.350 1.00 10.00 C ATOM 774 O PHE A 66 -1.081 2.323 10.720 1.00 10.00 O ATOM 775 CB PHE A 66 -0.147 1.302 8.122 1.00 10.00 C ATOM 776 CG PHE A 66 1.101 0.571 8.525 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.372 -0.691 8.023 1.00 10.00 C ATOM 778 CD2 PHE A 66 2.005 1.151 9.399 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.520 -1.364 8.390 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.154 0.483 9.771 1.00 10.00 C ATOM 781 CZ PHE A 66 3.414 -0.776 9.265 1.00 10.00 C ATOM 0 H PHE A 66 -2.593 2.505 8.477 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.494 -0.238 8.738 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.304 1.172 7.051 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.004 2.369 8.296 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.678 -1.154 7.337 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.809 2.137 9.794 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.719 -2.349 7.994 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.849 0.944 10.457 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.314 -1.300 9.552 1.00 10.00 H new ATOM 791 N GLU A 67 -1.473 0.150 11.190 1.00 10.00 N ATOM 792 CA GLU A 67 -1.399 0.311 12.639 1.00 10.00 C ATOM 793 C GLU A 67 -2.486 1.259 13.146 1.00 10.00 C ATOM 794 O GLU A 67 -2.282 2.000 14.109 1.00 10.00 O ATOM 795 CB GLU A 67 -0.012 0.807 13.060 1.00 10.00 C ATOM 796 CG GLU A 67 0.947 -0.315 13.417 1.00 10.00 C ATOM 797 CD GLU A 67 0.427 -1.176 14.550 1.00 10.00 C ATOM 798 OE1 GLU A 67 0.064 -2.341 14.301 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.364 -0.683 15.698 1.00 10.00 O ATOM 0 H GLU A 67 -1.676 -0.803 10.887 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.567 -0.666 13.092 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.416 1.397 12.250 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.117 1.472 13.917 1.00 10.00 H new ATOM 0 HG2 GLU A 67 1.117 -0.938 12.539 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.911 0.109 13.699 1.00 10.00 H new ATOM 806 N GLY A 68 -3.638 1.235 12.478 1.00 10.00 N ATOM 807 CA GLY A 68 -4.756 2.076 12.875 1.00 10.00 C ATOM 808 C GLY A 68 -4.748 3.445 12.215 1.00 10.00 C ATOM 809 O GLY A 68 -5.771 4.132 12.187 1.00 10.00 O ATOM 0 H GLY A 68 -3.817 0.645 11.665 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.688 1.568 12.629 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.739 2.203 13.957 1.00 10.00 H new ATOM 813 N GLN A 69 -3.606 3.843 11.675 1.00 10.00 N ATOM 814 CA GLN A 69 -3.486 5.146 11.027 1.00 10.00 C ATOM 815 C GLN A 69 -3.627 5.011 9.518 1.00 10.00 C ATOM 816 O GLN A 69 -3.472 3.922 8.971 1.00 10.00 O ATOM 817 CB GLN A 69 -2.139 5.786 11.365 1.00 10.00 C ATOM 818 CG GLN A 69 -1.676 5.527 12.789 1.00 10.00 C ATOM 819 CD GLN A 69 -0.468 6.356 13.171 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.318 6.762 12.317 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.306 6.601 14.459 1.00 10.00 N ATOM 0 H GLN A 69 -2.751 3.287 11.671 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.288 5.785 11.398 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.385 5.410 10.674 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.209 6.862 11.206 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.493 5.744 13.477 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.436 4.470 12.902 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.982 6.245 15.135 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.495 7.146 14.778 1.00 10.00 H new ATOM 830 N ARG A 70 -3.915 6.113 8.845 1.00 10.00 N ATOM 831 CA ARG A 70 -4.067 6.091 7.399 1.00 10.00 C ATOM 832 C ARG A 70 -2.828 6.677 6.735 1.00 10.00 C ATOM 833 O ARG A 70 -2.365 7.757 7.104 1.00 10.00 O ATOM 834 CB ARG A 70 -5.326 6.846 6.950 1.00 10.00 C ATOM 835 CG ARG A 70 -6.156 7.423 8.090 1.00 10.00 C ATOM 836 CD ARG A 70 -7.567 7.773 7.631 1.00 10.00 C ATOM 837 NE ARG A 70 -7.570 8.560 6.393 1.00 10.00 N ATOM 838 CZ ARG A 70 -8.571 8.558 5.506 1.00 10.00 C ATOM 839 NH1 ARG A 70 -9.678 7.864 5.750 1.00 10.00 N ATOM 840 NH2 ARG A 70 -8.477 9.266 4.388 1.00 10.00 N ATOM 0 H ARG A 70 -4.048 7.029 9.273 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.181 5.052 7.089 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.030 7.658 6.286 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.952 6.170 6.368 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -6.206 6.702 8.906 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -5.668 8.315 8.482 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -8.135 6.855 7.477 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -8.074 8.333 8.417 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.758 9.145 6.196 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -9.766 7.331 6.615 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -10.440 7.864 5.072 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.638 9.816 4.201 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -9.243 9.261 3.715 1.00 10.00 H new ATOM 854 N ILE A 71 -2.293 5.947 5.767 1.00 10.00 N ATOM 855 CA ILE A 71 -1.096 6.358 5.041 1.00 10.00 C ATOM 856 C ILE A 71 -1.291 7.687 4.312 1.00 10.00 C ATOM 857 O ILE A 71 -2.242 7.857 3.541 1.00 10.00 O ATOM 858 CB ILE A 71 -0.675 5.277 4.018 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.353 3.957 4.729 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.516 5.743 3.191 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.773 4.061 5.738 1.00 10.00 C ATOM 0 H ILE A 71 -2.675 5.052 5.461 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.311 6.487 5.786 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.512 5.109 3.341 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.250 3.601 5.236 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.090 3.208 3.982 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.792 4.965 2.480 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.250 6.651 2.650 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.359 5.947 3.851 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.941 3.087 6.198 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.684 4.386 5.235 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.506 4.785 6.508 1.00 10.00 H new ATOM 873 N ALA A 72 -0.385 8.622 4.571 1.00 10.00 N ATOM 874 CA ALA A 72 -0.422 9.931 3.938 1.00 10.00 C ATOM 875 C ALA A 72 0.380 9.909 2.643 1.00 10.00 C ATOM 876 O ALA A 72 1.189 9.009 2.424 1.00 10.00 O ATOM 877 CB ALA A 72 0.122 10.998 4.876 1.00 10.00 C ATOM 0 H ALA A 72 0.390 8.494 5.221 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.459 10.174 3.708 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.085 11.969 4.383 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.483 11.028 5.782 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.154 10.762 5.136 1.00 10.00 H new ATOM 883 N ASP A 73 0.172 10.907 1.799 1.00 10.00 N ATOM 884 CA ASP A 73 0.873 10.981 0.518 1.00 10.00 C ATOM 885 C ASP A 73 2.362 11.264 0.709 1.00 10.00 C ATOM 886 O ASP A 73 3.198 10.788 -0.054 1.00 10.00 O ATOM 887 CB ASP A 73 0.250 12.060 -0.372 1.00 10.00 C ATOM 888 CG ASP A 73 -0.684 11.487 -1.423 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.651 10.794 -1.046 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.460 11.739 -2.627 1.00 10.00 O ATOM 0 H ASP A 73 -0.474 11.677 1.973 1.00 10.00 H new ATOM 0 HA ASP A 73 0.771 10.010 0.032 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.300 12.766 0.251 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.044 12.621 -0.865 1.00 10.00 H new ATOM 895 N ASN A 74 2.698 12.026 1.741 1.00 10.00 N ATOM 896 CA ASN A 74 4.093 12.371 2.004 1.00 10.00 C ATOM 897 C ASN A 74 4.758 11.353 2.927 1.00 10.00 C ATOM 898 O ASN A 74 5.917 11.518 3.309 1.00 10.00 O ATOM 899 CB ASN A 74 4.196 13.776 2.615 1.00 10.00 C ATOM 900 CG ASN A 74 3.845 13.810 4.094 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.672 13.833 4.465 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.859 13.839 4.948 1.00 10.00 N ATOM 0 H ASN A 74 2.031 12.416 2.407 1.00 10.00 H new ATOM 0 HA ASN A 74 4.618 12.357 1.049 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.210 14.151 2.480 1.00 10.00 H new ATOM 0 HB3 ASN A 74 3.532 14.450 2.074 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.680 13.882 5.951 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.818 13.818 4.602 1.00 10.00 H new ATOM 909 N HIS A 75 4.031 10.298 3.269 1.00 10.00 N ATOM 910 CA HIS A 75 4.558 9.271 4.156 1.00 10.00 C ATOM 911 C HIS A 75 5.607 8.416 3.456 1.00 10.00 C ATOM 912 O HIS A 75 5.512 8.142 2.258 1.00 10.00 O ATOM 913 CB HIS A 75 3.433 8.373 4.674 1.00 10.00 C ATOM 914 CG HIS A 75 2.866 8.806 5.994 1.00 10.00 C ATOM 915 ND1 HIS A 75 1.738 8.218 6.518 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.302 9.762 6.850 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.519 8.822 7.675 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.441 9.764 7.915 1.00 10.00 N ATOM 0 H HIS A 75 3.078 10.131 2.947 1.00 10.00 H new ATOM 0 HA HIS A 75 5.029 9.781 4.997 1.00 10.00 H new ATOM 0 HB2 HIS A 75 2.631 8.350 3.936 1.00 10.00 H new ATOM 0 HB3 HIS A 75 3.809 7.354 4.768 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.163 10.400 6.718 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.702 8.586 8.340 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.492 10.368 8.735 1.00 10.00 H new ATOM 926 N THR A 76 6.613 8.018 4.212 1.00 10.00 N ATOM 927 CA THR A 76 7.680 7.178 3.702 1.00 10.00 C ATOM 928 C THR A 76 7.701 5.863 4.476 1.00 10.00 C ATOM 929 O THR A 76 7.180 5.796 5.589 1.00 10.00 O ATOM 930 CB THR A 76 9.053 7.873 3.836 1.00 10.00 C ATOM 931 OG1 THR A 76 9.272 8.274 5.195 1.00 10.00 O ATOM 932 CG2 THR A 76 9.144 9.086 2.921 1.00 10.00 C ATOM 0 H THR A 76 6.713 8.268 5.196 1.00 10.00 H new ATOM 0 HA THR A 76 7.493 6.991 2.645 1.00 10.00 H new ATOM 0 HB THR A 76 9.823 7.160 3.540 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.574 8.907 5.466 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.121 9.556 3.036 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.012 8.772 1.886 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.364 9.800 3.185 1.00 10.00 H new ATOM 940 N PRO A 77 8.290 4.796 3.912 1.00 10.00 N ATOM 941 CA PRO A 77 8.366 3.497 4.590 1.00 10.00 C ATOM 942 C PRO A 77 9.339 3.526 5.766 1.00 10.00 C ATOM 943 O PRO A 77 9.406 2.587 6.559 1.00 10.00 O ATOM 944 CB PRO A 77 8.874 2.539 3.499 1.00 10.00 C ATOM 945 CG PRO A 77 8.794 3.298 2.218 1.00 10.00 C ATOM 946 CD PRO A 77 8.908 4.749 2.582 1.00 10.00 C ATOM 0 HA PRO A 77 7.405 3.202 5.011 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.897 2.223 3.702 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.264 1.637 3.457 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.595 3.003 1.540 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.853 3.098 1.706 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.946 5.080 2.606 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.386 5.388 1.870 1.00 10.00 H new ATOM 954 N LYS A 78 10.090 4.618 5.870 1.00 10.00 N ATOM 955 CA LYS A 78 11.071 4.783 6.932 1.00 10.00 C ATOM 956 C LYS A 78 10.394 5.171 8.244 1.00 10.00 C ATOM 957 O LYS A 78 10.770 4.687 9.314 1.00 10.00 O ATOM 958 CB LYS A 78 12.108 5.838 6.531 1.00 10.00 C ATOM 959 CG LYS A 78 13.112 6.180 7.628 1.00 10.00 C ATOM 960 CD LYS A 78 13.900 4.959 8.088 1.00 10.00 C ATOM 961 CE LYS A 78 14.720 4.360 6.960 1.00 10.00 C ATOM 962 NZ LYS A 78 15.700 3.360 7.457 1.00 10.00 N ATOM 0 H LYS A 78 10.035 5.406 5.225 1.00 10.00 H new ATOM 0 HA LYS A 78 11.578 3.830 7.084 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.651 5.482 5.656 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.587 6.748 6.235 1.00 10.00 H new ATOM 0 HG2 LYS A 78 13.803 6.939 7.262 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.585 6.612 8.479 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.561 5.240 8.908 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.212 4.208 8.476 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.054 3.887 6.238 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.248 5.155 6.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.240 2.975 6.656 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.352 3.816 8.126 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.195 2.588 7.937 1.00 10.00 H new ATOM 976 N GLU A 79 9.403 6.044 8.165 1.00 10.00 N ATOM 977 CA GLU A 79 8.689 6.479 9.354 1.00 10.00 C ATOM 978 C GLU A 79 7.632 5.451 9.733 1.00 10.00 C ATOM 979 O GLU A 79 7.349 4.537 8.953 1.00 10.00 O ATOM 980 CB GLU A 79 8.053 7.851 9.133 1.00 10.00 C ATOM 981 CG GLU A 79 7.057 7.892 7.990 1.00 10.00 C ATOM 982 CD GLU A 79 6.818 9.297 7.493 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.227 10.101 8.241 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.233 9.606 6.356 1.00 10.00 O ATOM 0 H GLU A 79 9.076 6.464 7.295 1.00 10.00 H new ATOM 0 HA GLU A 79 9.401 6.567 10.175 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.551 8.159 10.050 1.00 10.00 H new ATOM 0 HB3 GLU A 79 8.841 8.579 8.941 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.423 7.275 7.169 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.112 7.459 8.318 1.00 10.00 H new ATOM 991 N LEU A 80 7.079 5.595 10.938 1.00 10.00 N ATOM 992 CA LEU A 80 6.054 4.689 11.462 1.00 10.00 C ATOM 993 C LEU A 80 6.655 3.341 11.856 1.00 10.00 C ATOM 994 O LEU A 80 6.492 2.893 12.988 1.00 10.00 O ATOM 995 CB LEU A 80 4.911 4.492 10.456 1.00 10.00 C ATOM 996 CG LEU A 80 3.659 5.328 10.722 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.782 5.380 9.481 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.882 4.758 11.901 1.00 10.00 C ATOM 0 H LEU A 80 7.330 6.346 11.581 1.00 10.00 H new ATOM 0 HA LEU A 80 5.641 5.154 12.357 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.281 4.729 9.459 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.631 3.439 10.450 1.00 10.00 H new ATOM 0 HG LEU A 80 3.966 6.344 10.969 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.895 5.979 9.687 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.340 5.829 8.660 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.481 4.369 9.205 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.993 5.364 12.078 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.584 3.733 11.679 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.512 4.768 12.791 1.00 10.00 H new ATOM 1010 N GLY A 81 7.348 2.707 10.923 1.00 10.00 N ATOM 1011 CA GLY A 81 7.959 1.422 11.192 1.00 10.00 C ATOM 1012 C GLY A 81 7.399 0.339 10.301 1.00 10.00 C ATOM 1013 O GLY A 81 6.541 -0.435 10.721 1.00 10.00 O ATOM 0 H GLY A 81 7.499 3.062 9.979 1.00 10.00 H new ATOM 0 HA2 GLY A 81 9.037 1.494 11.044 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.797 1.154 12.236 1.00 10.00 H new ATOM 1017 N MET A 82 7.874 0.290 9.067 1.00 10.00 N ATOM 1018 CA MET A 82 7.405 -0.698 8.106 1.00 10.00 C ATOM 1019 C MET A 82 8.535 -1.642 7.718 1.00 10.00 C ATOM 1020 O MET A 82 9.586 -1.202 7.244 1.00 10.00 O ATOM 1021 CB MET A 82 6.846 0.003 6.865 1.00 10.00 C ATOM 1022 CG MET A 82 5.863 1.112 7.197 1.00 10.00 C ATOM 1023 SD MET A 82 5.325 2.039 5.747 1.00 10.00 S ATOM 1024 CE MET A 82 4.494 3.415 6.537 1.00 10.00 C ATOM 0 H MET A 82 8.586 0.924 8.705 1.00 10.00 H new ATOM 0 HA MET A 82 6.610 -1.285 8.567 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.672 0.419 6.288 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.353 -0.733 6.231 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.991 0.681 7.689 1.00 10.00 H new ATOM 0 HG3 MET A 82 6.324 1.797 7.908 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.419 3.334 6.373 1.00 10.00 H new ATOM 0 HE2 MET A 82 4.700 3.399 7.607 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.856 4.351 6.112 1.00 10.00 H new ATOM 1034 N GLU A 83 8.323 -2.935 7.930 1.00 10.00 N ATOM 1035 CA GLU A 83 9.331 -3.932 7.610 1.00 10.00 C ATOM 1036 C GLU A 83 8.768 -5.000 6.675 1.00 10.00 C ATOM 1037 O GLU A 83 7.623 -4.917 6.236 1.00 10.00 O ATOM 1038 CB GLU A 83 9.854 -4.582 8.894 1.00 10.00 C ATOM 1039 CG GLU A 83 11.339 -4.348 9.135 1.00 10.00 C ATOM 1040 CD GLU A 83 12.206 -5.001 8.080 1.00 10.00 C ATOM 1041 OE1 GLU A 83 12.203 -6.249 7.995 1.00 10.00 O ATOM 1042 OE2 GLU A 83 12.893 -4.277 7.334 1.00 10.00 O ATOM 0 H GLU A 83 7.462 -3.315 8.322 1.00 10.00 H new ATOM 0 HA GLU A 83 10.154 -3.432 7.100 1.00 10.00 H new ATOM 0 HB2 GLU A 83 9.291 -4.194 9.743 1.00 10.00 H new ATOM 0 HB3 GLU A 83 9.666 -5.655 8.851 1.00 10.00 H new ATOM 0 HG2 GLU A 83 11.537 -3.276 9.151 1.00 10.00 H new ATOM 0 HG3 GLU A 83 11.611 -4.737 10.116 1.00 10.00 H new ATOM 1049 N GLU A 84 9.587 -5.997 6.374 1.00 10.00 N ATOM 1050 CA GLU A 84 9.185 -7.088 5.500 1.00 10.00 C ATOM 1051 C GLU A 84 8.121 -7.946 6.186 1.00 10.00 C ATOM 1052 O GLU A 84 8.148 -8.111 7.410 1.00 10.00 O ATOM 1053 CB GLU A 84 10.418 -7.925 5.133 1.00 10.00 C ATOM 1054 CG GLU A 84 10.108 -9.307 4.576 1.00 10.00 C ATOM 1055 CD GLU A 84 9.629 -9.273 3.140 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.407 -9.658 2.241 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.472 -8.873 2.904 1.00 10.00 O ATOM 0 H GLU A 84 10.541 -6.072 6.726 1.00 10.00 H new ATOM 0 HA GLU A 84 8.751 -6.685 4.585 1.00 10.00 H new ATOM 0 HB2 GLU A 84 11.007 -7.376 4.398 1.00 10.00 H new ATOM 0 HB3 GLU A 84 11.041 -8.038 6.021 1.00 10.00 H new ATOM 0 HG2 GLU A 84 11.002 -9.927 4.640 1.00 10.00 H new ATOM 0 HG3 GLU A 84 9.346 -9.780 5.196 1.00 10.00 H new ATOM 1064 N GLU A 85 7.185 -8.470 5.394 1.00 10.00 N ATOM 1065 CA GLU A 85 6.101 -9.317 5.898 1.00 10.00 C ATOM 1066 C GLU A 85 5.127 -8.526 6.766 1.00 10.00 C ATOM 1067 O GLU A 85 4.406 -9.102 7.583 1.00 10.00 O ATOM 1068 CB GLU A 85 6.653 -10.510 6.687 1.00 10.00 C ATOM 1069 CG GLU A 85 7.099 -11.666 5.810 1.00 10.00 C ATOM 1070 CD GLU A 85 5.957 -12.248 5.008 1.00 10.00 C ATOM 1071 OE1 GLU A 85 5.414 -13.297 5.407 1.00 10.00 O ATOM 1072 OE2 GLU A 85 5.592 -11.659 3.976 1.00 10.00 O ATOM 0 H GLU A 85 7.156 -8.320 4.386 1.00 10.00 H new ATOM 0 HA GLU A 85 5.559 -9.691 5.029 1.00 10.00 H new ATOM 0 HB2 GLU A 85 7.497 -10.176 7.290 1.00 10.00 H new ATOM 0 HB3 GLU A 85 5.887 -10.863 7.378 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.880 -11.324 5.131 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.537 -12.445 6.434 1.00 10.00 H new ATOM 1079 N ASP A 86 5.101 -7.210 6.591 1.00 10.00 N ATOM 1080 CA ASP A 86 4.199 -6.370 7.366 1.00 10.00 C ATOM 1081 C ASP A 86 2.795 -6.439 6.788 1.00 10.00 C ATOM 1082 O ASP A 86 2.613 -6.810 5.627 1.00 10.00 O ATOM 1083 CB ASP A 86 4.683 -4.924 7.409 1.00 10.00 C ATOM 1084 CG ASP A 86 4.822 -4.421 8.830 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.785 -4.218 9.496 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.971 -4.254 9.296 1.00 10.00 O ATOM 0 H ASP A 86 5.688 -6.706 5.926 1.00 10.00 H new ATOM 0 HA ASP A 86 4.184 -6.747 8.389 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.644 -4.847 6.900 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.983 -4.290 6.866 1.00 10.00 H new ATOM 1091 N VAL A 87 1.808 -6.071 7.588 1.00 10.00 N ATOM 1092 CA VAL A 87 0.417 -6.129 7.163 1.00 10.00 C ATOM 1093 C VAL A 87 -0.230 -4.749 7.150 1.00 10.00 C ATOM 1094 O VAL A 87 -0.061 -3.960 8.079 1.00 10.00 O ATOM 1095 CB VAL A 87 -0.400 -7.062 8.084 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -1.854 -7.131 7.648 1.00 10.00 C ATOM 1097 CG2 VAL A 87 0.209 -8.455 8.111 1.00 10.00 C ATOM 0 H VAL A 87 1.944 -5.728 8.539 1.00 10.00 H new ATOM 0 HA VAL A 87 0.414 -6.523 6.147 1.00 10.00 H new ATOM 0 HB VAL A 87 -0.368 -6.646 9.091 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.403 -7.795 8.316 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -2.293 -6.134 7.686 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -1.910 -7.513 6.629 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -0.381 -9.097 8.765 1.00 10.00 H new ATOM 0 HG22 VAL A 87 0.213 -8.870 7.103 1.00 10.00 H new ATOM 0 HG23 VAL A 87 1.232 -8.398 8.484 1.00 10.00 H new ATOM 1107 N ILE A 88 -0.969 -4.469 6.086 1.00 10.00 N ATOM 1108 CA ILE A 88 -1.666 -3.205 5.938 1.00 10.00 C ATOM 1109 C ILE A 88 -3.088 -3.466 5.439 1.00 10.00 C ATOM 1110 O ILE A 88 -3.314 -4.363 4.623 1.00 10.00 O ATOM 1111 CB ILE A 88 -0.908 -2.250 4.980 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.590 -0.881 4.917 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.790 -2.857 3.588 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.766 0.176 4.217 1.00 10.00 C ATOM 0 H ILE A 88 -1.100 -5.111 5.305 1.00 10.00 H new ATOM 0 HA ILE A 88 -1.712 -2.714 6.910 1.00 10.00 H new ATOM 0 HB ILE A 88 0.098 -2.109 5.376 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.545 -0.984 4.403 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.808 -0.547 5.931 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.255 -2.168 2.935 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.245 -3.799 3.647 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.786 -3.039 3.185 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.313 1.119 4.211 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.179 0.308 4.743 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.569 -0.136 3.191 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.046 -2.710 5.951 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.441 -2.879 5.565 1.00 10.00 C ATOM 1128 C GLU A 89 -5.852 -1.855 4.517 1.00 10.00 C ATOM 1129 O GLU A 89 -5.339 -0.736 4.493 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.355 -2.744 6.785 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.313 -3.936 7.728 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.093 -3.695 9.006 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.276 -4.103 9.079 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.525 -3.109 9.947 1.00 10.00 O ATOM 0 H GLU A 89 -3.884 -1.972 6.636 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.543 -3.877 5.140 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.075 -1.847 7.338 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.380 -2.601 6.443 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.717 -4.811 7.220 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.276 -4.162 7.976 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.777 -2.241 3.655 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.271 -1.353 2.618 1.00 10.00 C ATOM 1143 C VAL A 90 -8.800 -1.335 2.623 1.00 10.00 C ATOM 1144 O VAL A 90 -9.447 -2.377 2.520 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.734 -1.750 1.218 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.098 -3.189 0.866 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.244 -0.791 0.154 1.00 10.00 C ATOM 0 H VAL A 90 -7.202 -3.168 3.654 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.904 -0.350 2.835 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.647 -1.683 1.251 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.706 -3.432 -0.121 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.666 -3.865 1.605 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.182 -3.300 0.863 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.855 -1.088 -0.820 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.333 -0.817 0.133 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.909 0.220 0.385 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.372 -0.149 2.784 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.821 0.009 2.810 1.00 10.00 C ATOM 1159 C TYR A 91 -11.231 1.162 1.907 1.00 10.00 C ATOM 1160 O TYR A 91 -10.423 2.037 1.617 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.306 0.259 4.243 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.097 -0.923 5.167 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -11.927 -2.032 5.097 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.071 -0.929 6.105 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.742 -3.114 5.936 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -9.880 -2.010 6.947 1.00 10.00 C ATOM 1167 CZ TYR A 91 -10.718 -3.100 6.858 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.534 -4.180 7.694 1.00 10.00 O ATOM 0 H TYR A 91 -8.853 0.721 2.899 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.282 -0.909 2.445 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.783 1.125 4.649 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.367 0.509 4.221 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.730 -2.050 4.375 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.412 -0.076 6.178 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.399 -3.969 5.869 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.078 -2.000 7.670 1.00 10.00 H new ATOM 0 HH TYR A 91 -9.916 -3.935 8.414 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.474 1.160 1.454 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.957 2.217 0.576 1.00 10.00 C ATOM 1180 C GLN A 92 -13.392 3.434 1.384 1.00 10.00 C ATOM 1181 O GLN A 92 -13.944 3.297 2.477 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.126 1.718 -0.277 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.444 2.625 -1.457 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.863 2.459 -1.959 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.137 1.616 -2.814 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.769 3.270 -1.440 1.00 10.00 N ATOM 0 H GLN A 92 -13.165 0.443 1.677 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.137 2.506 -0.082 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.895 0.719 -0.648 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.012 1.628 0.351 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.286 3.663 -1.164 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.749 2.414 -2.270 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.497 3.954 -0.734 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.740 3.212 -1.746 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.128 4.618 0.849 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.507 5.852 1.516 1.00 10.00 C ATOM 1197 C GLU A 93 -14.999 6.103 1.338 1.00 10.00 C ATOM 1198 O GLU A 93 -15.606 5.628 0.374 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.703 7.030 0.961 1.00 10.00 C ATOM 1200 CG GLU A 93 -11.300 7.131 1.536 1.00 10.00 C ATOM 1201 CD GLU A 93 -11.286 7.728 2.926 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.787 7.078 3.869 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.770 8.850 3.087 1.00 10.00 O ATOM 0 H GLU A 93 -12.653 4.748 -0.044 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.288 5.755 2.579 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.637 6.936 -0.123 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -13.240 7.956 1.169 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.851 6.138 1.566 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.683 7.741 0.876 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.584 6.857 2.261 1.00 10.00 N ATOM 1211 CA GLN A 94 -17.005 7.164 2.206 1.00 10.00 C ATOM 1212 C GLN A 94 -17.295 8.128 1.060 1.00 10.00 C ATOM 1213 O GLN A 94 -18.420 8.215 0.574 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.468 7.763 3.536 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.895 7.393 3.911 1.00 10.00 C ATOM 1216 CD GLN A 94 -19.834 8.582 3.880 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -20.511 8.831 2.884 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.875 9.330 4.970 1.00 10.00 N ATOM 0 H GLN A 94 -15.094 7.267 3.057 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.556 6.240 2.029 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.796 7.430 4.327 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -17.386 8.849 3.483 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -19.260 6.629 3.225 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.902 6.955 4.909 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.297 9.089 5.776 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.484 10.147 5.005 1.00 10.00 H new ATOM 1227 N THR A 95 -16.264 8.841 0.623 1.00 10.00 N ATOM 1228 CA THR A 95 -16.392 9.789 -0.470 1.00 10.00 C ATOM 1229 C THR A 95 -16.421 9.080 -1.823 1.00 10.00 C ATOM 1230 O THR A 95 -16.623 9.710 -2.863 1.00 10.00 O ATOM 1231 CB THR A 95 -15.228 10.787 -0.447 1.00 10.00 C ATOM 1232 OG1 THR A 95 -14.397 10.515 0.693 1.00 10.00 O ATOM 1233 CG2 THR A 95 -15.740 12.221 -0.387 1.00 10.00 C ATOM 0 H THR A 95 -15.324 8.777 1.014 1.00 10.00 H new ATOM 0 HA THR A 95 -17.335 10.319 -0.336 1.00 10.00 H new ATOM 0 HB THR A 95 -14.649 10.674 -1.364 1.00 10.00 H new ATOM 0 HG1 THR A 95 -13.650 11.149 0.712 1.00 10.00 H new ATOM 0 HG21 THR A 95 -14.895 12.909 -0.372 1.00 10.00 H new ATOM 0 HG22 THR A 95 -16.357 12.424 -1.262 1.00 10.00 H new ATOM 0 HG23 THR A 95 -16.335 12.357 0.516 1.00 10.00 H new ATOM 1241 N GLY A 96 -16.208 7.769 -1.808 1.00 10.00 N ATOM 1242 CA GLY A 96 -16.218 6.999 -3.035 1.00 10.00 C ATOM 1243 C GLY A 96 -14.879 7.023 -3.745 1.00 10.00 C ATOM 1244 O GLY A 96 -14.224 5.992 -3.891 1.00 10.00 O ATOM 0 H GLY A 96 -16.028 7.225 -0.964 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -16.488 5.967 -2.811 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.986 7.392 -3.701 1.00 10.00 H new ATOM 1248 N GLY A 97 -14.470 8.203 -4.177 1.00 10.00 N ATOM 1249 CA GLY A 97 -13.208 8.348 -4.864 1.00 10.00 C ATOM 1250 C GLY A 97 -13.243 9.499 -5.835 1.00 10.00 C ATOM 1251 O GLY A 97 -12.553 9.436 -6.869 1.00 10.00 O ATOM 0 H GLY A 97 -14.995 9.070 -4.063 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.412 8.507 -4.137 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.974 7.427 -5.397 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.185 -18.483 -5.483 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.448 -17.264 -5.886 1.00 10.00 C ATOM 1258 C ASN B 357 -4.008 -16.037 -5.172 1.00 10.00 C ATOM 1259 O ASN B 357 -4.476 -15.083 -5.797 1.00 10.00 O ATOM 1260 CB ASN B 357 -3.516 -17.082 -7.413 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.939 -17.015 -7.954 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -5.873 -17.574 -7.378 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -5.108 -16.334 -9.075 1.00 10.00 N ATOM 0 HA ASN B 357 -2.403 -17.378 -5.596 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -2.989 -16.168 -7.686 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -2.992 -17.908 -7.893 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -6.036 -16.259 -9.491 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -4.310 -15.884 -9.524 1.00 10.00 H new ATOM 1272 N ASN B 358 -3.935 -16.060 -3.847 1.00 10.00 N ATOM 1273 CA ASN B 358 -4.442 -14.967 -3.026 1.00 10.00 C ATOM 1274 C ASN B 358 -3.430 -13.825 -2.938 1.00 10.00 C ATOM 1275 O ASN B 358 -3.749 -12.745 -2.437 1.00 10.00 O ATOM 1276 CB ASN B 358 -4.778 -15.468 -1.610 1.00 10.00 C ATOM 1277 CG ASN B 358 -3.547 -15.855 -0.803 1.00 10.00 C ATOM 1278 OD1 ASN B 358 -2.524 -16.253 -1.357 1.00 10.00 O ATOM 1279 ND2 ASN B 358 -3.646 -15.759 0.514 1.00 10.00 N ATOM 0 H ASN B 358 -3.527 -16.829 -3.315 1.00 10.00 H new ATOM 0 HA ASN B 358 -5.348 -14.591 -3.501 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -5.324 -14.690 -1.077 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -5.441 -16.330 -1.684 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -2.857 -16.020 1.105 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -4.512 -15.424 0.937 1.00 10.00 H new ATOM 1286 N ARG B 359 -2.220 -14.066 -3.430 1.00 10.00 N ATOM 1287 CA ARG B 359 -1.166 -13.060 -3.384 1.00 10.00 C ATOM 1288 C ARG B 359 -0.804 -12.552 -4.773 1.00 10.00 C ATOM 1289 O ARG B 359 -0.491 -13.331 -5.675 1.00 10.00 O ATOM 1290 CB ARG B 359 0.075 -13.616 -2.677 1.00 10.00 C ATOM 1291 CG ARG B 359 0.469 -15.015 -3.116 1.00 10.00 C ATOM 1292 CD ARG B 359 1.460 -15.638 -2.149 1.00 10.00 C ATOM 1293 NE ARG B 359 0.898 -15.779 -0.802 1.00 10.00 N ATOM 1294 CZ ARG B 359 0.419 -16.916 -0.302 1.00 10.00 C ATOM 1295 NH1 ARG B 359 0.425 -18.018 -1.034 1.00 10.00 N ATOM 1296 NH2 ARG B 359 -0.088 -16.941 0.922 1.00 10.00 N ATOM 0 H ARG B 359 -1.945 -14.947 -3.864 1.00 10.00 H new ATOM 0 HA ARG B 359 -1.548 -12.212 -2.815 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.913 -12.942 -2.855 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.106 -13.622 -1.602 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -0.420 -15.642 -3.183 1.00 10.00 H new ATOM 0 HG3 ARG B 359 0.907 -14.976 -4.114 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.762 -16.617 -2.520 1.00 10.00 H new ATOM 0 HD3 ARG B 359 2.359 -15.023 -2.104 1.00 10.00 H new ATOM 0 HE ARG B 359 0.872 -14.950 -0.208 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.797 -17.998 -1.983 1.00 10.00 H new ATOM 0 HH12 ARG B 359 0.058 -18.888 -0.649 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -0.111 -16.089 1.482 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -0.455 -17.813 1.304 1.00 10.00 H new ATOM 1310 N ASP B 360 -0.853 -11.232 -4.925 1.00 10.00 N ATOM 1311 CA ASP B 360 -0.519 -10.577 -6.186 1.00 10.00 C ATOM 1312 C ASP B 360 0.666 -9.642 -5.972 1.00 10.00 C ATOM 1313 O ASP B 360 0.560 -8.667 -5.229 1.00 10.00 O ATOM 1314 CB ASP B 360 -1.720 -9.789 -6.726 1.00 10.00 C ATOM 1315 CG ASP B 360 -1.410 -9.040 -8.013 1.00 10.00 C ATOM 1316 OD1 ASP B 360 -1.734 -7.832 -8.105 1.00 10.00 O ATOM 1317 OD2 ASP B 360 -0.857 -9.660 -8.949 1.00 10.00 O ATOM 0 H ASP B 360 -1.124 -10.589 -4.181 1.00 10.00 H new ATOM 0 HA ASP B 360 -0.256 -11.339 -6.919 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -2.548 -10.475 -6.902 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -2.051 -9.078 -5.969 1.00 10.00 H new ATOM 1322 N PRO B 361 1.819 -9.944 -6.588 1.00 10.00 N ATOM 1323 CA PRO B 361 3.026 -9.130 -6.447 1.00 10.00 C ATOM 1324 C PRO B 361 3.023 -7.880 -7.330 1.00 10.00 C ATOM 1325 O PRO B 361 2.878 -7.962 -8.552 1.00 10.00 O ATOM 1326 CB PRO B 361 4.135 -10.090 -6.877 1.00 10.00 C ATOM 1327 CG PRO B 361 3.490 -11.010 -7.857 1.00 10.00 C ATOM 1328 CD PRO B 361 2.038 -11.113 -7.463 1.00 10.00 C ATOM 0 HA PRO B 361 3.134 -8.740 -5.435 1.00 10.00 H new ATOM 0 HB2 PRO B 361 4.969 -9.553 -7.329 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.535 -10.639 -6.024 1.00 10.00 H new ATOM 0 HG2 PRO B 361 3.589 -10.626 -8.872 1.00 10.00 H new ATOM 0 HG3 PRO B 361 3.966 -11.990 -7.839 1.00 10.00 H new ATOM 0 HD2 PRO B 361 1.385 -11.086 -8.335 1.00 10.00 H new ATOM 0 HD3 PRO B 361 1.832 -12.047 -6.940 1.00 10.00 H new ATOM 1336 N ILE B 362 3.180 -6.721 -6.701 1.00 10.00 N ATOM 1337 CA ILE B 362 3.213 -5.459 -7.424 1.00 10.00 C ATOM 1338 C ILE B 362 4.584 -4.812 -7.314 1.00 10.00 C ATOM 1339 O ILE B 362 5.073 -4.563 -6.215 1.00 10.00 O ATOM 1340 CB ILE B 362 2.149 -4.464 -6.915 1.00 10.00 C ATOM 1341 CG1 ILE B 362 0.865 -5.194 -6.516 1.00 10.00 C ATOM 1342 CG2 ILE B 362 1.857 -3.423 -7.986 1.00 10.00 C ATOM 1343 CD1 ILE B 362 -0.136 -4.308 -5.803 1.00 10.00 C ATOM 0 H ILE B 362 3.286 -6.631 -5.691 1.00 10.00 H new ATOM 0 HA ILE B 362 2.993 -5.694 -8.465 1.00 10.00 H new ATOM 0 HB ILE B 362 2.540 -3.962 -6.030 1.00 10.00 H new ATOM 0 HG12 ILE B 362 0.399 -5.609 -7.410 1.00 10.00 H new ATOM 0 HG13 ILE B 362 1.120 -6.034 -5.870 1.00 10.00 H new ATOM 0 HG21 ILE B 362 1.105 -2.724 -7.619 1.00 10.00 H new ATOM 0 HG22 ILE B 362 2.771 -2.880 -8.224 1.00 10.00 H new ATOM 0 HG23 ILE B 362 1.485 -3.918 -8.883 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -1.022 -4.890 -5.550 1.00 10.00 H new ATOM 0 HD12 ILE B 362 0.312 -3.914 -4.891 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -0.419 -3.482 -6.455 1.00 10.00 H new ATOM 1355 N VAL B 363 5.201 -4.547 -8.458 1.00 10.00 N ATOM 1356 CA VAL B 363 6.517 -3.925 -8.495 1.00 10.00 C ATOM 1357 C VAL B 363 6.429 -2.544 -9.133 1.00 10.00 C ATOM 1358 O VAL B 363 6.019 -2.411 -10.285 1.00 10.00 O ATOM 1359 CB VAL B 363 7.533 -4.781 -9.285 1.00 10.00 C ATOM 1360 CG1 VAL B 363 8.938 -4.211 -9.143 1.00 10.00 C ATOM 1361 CG2 VAL B 363 7.490 -6.233 -8.828 1.00 10.00 C ATOM 0 H VAL B 363 4.809 -4.754 -9.376 1.00 10.00 H new ATOM 0 HA VAL B 363 6.863 -3.840 -7.465 1.00 10.00 H new ATOM 0 HB VAL B 363 7.257 -4.751 -10.339 1.00 10.00 H new ATOM 0 HG11 VAL B 363 9.639 -4.827 -9.706 1.00 10.00 H new ATOM 0 HG12 VAL B 363 8.958 -3.192 -9.530 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.224 -4.205 -8.091 1.00 10.00 H new ATOM 0 HG21 VAL B 363 8.214 -6.816 -9.398 1.00 10.00 H new ATOM 0 HG22 VAL B 363 7.735 -6.288 -7.767 1.00 10.00 H new ATOM 0 HG23 VAL B 363 6.490 -6.636 -8.991 1.00 10.00 H new ATOM 1371 N ILE B 364 6.796 -1.521 -8.376 1.00 10.00 N ATOM 1372 CA ILE B 364 6.759 -0.151 -8.873 1.00 10.00 C ATOM 1373 C ILE B 364 8.142 0.309 -9.318 1.00 10.00 C ATOM 1374 O ILE B 364 9.108 -0.453 -9.265 1.00 10.00 O ATOM 1375 CB ILE B 364 6.222 0.824 -7.810 1.00 10.00 C ATOM 1376 CG1 ILE B 364 7.042 0.713 -6.522 1.00 10.00 C ATOM 1377 CG2 ILE B 364 4.751 0.545 -7.534 1.00 10.00 C ATOM 1378 CD1 ILE B 364 7.667 2.020 -6.085 1.00 10.00 C ATOM 0 H ILE B 364 7.123 -1.612 -7.414 1.00 10.00 H new ATOM 0 HA ILE B 364 6.083 -0.146 -9.728 1.00 10.00 H new ATOM 0 HB ILE B 364 6.315 1.841 -8.190 1.00 10.00 H new ATOM 0 HG12 ILE B 364 6.399 0.343 -5.723 1.00 10.00 H new ATOM 0 HG13 ILE B 364 7.830 -0.026 -6.666 1.00 10.00 H new ATOM 0 HG21 ILE B 364 4.384 1.242 -6.780 1.00 10.00 H new ATOM 0 HG22 ILE B 364 4.178 0.670 -8.453 1.00 10.00 H new ATOM 0 HG23 ILE B 364 4.636 -0.476 -7.171 1.00 10.00 H new ATOM 0 HD11 ILE B 364 8.232 1.864 -5.166 1.00 10.00 H new ATOM 0 HD12 ILE B 364 8.336 2.382 -6.865 1.00 10.00 H new ATOM 0 HD13 ILE B 364 6.883 2.757 -5.908 1.00 10.00 H new ATOM 1390 N SER B 365 8.234 1.555 -9.753 1.00 10.00 N ATOM 1391 CA SER B 365 9.497 2.112 -10.206 1.00 10.00 C ATOM 1392 C SER B 365 9.914 3.288 -9.327 1.00 10.00 C ATOM 1393 O SER B 365 9.085 4.119 -8.955 1.00 10.00 O ATOM 1394 CB SER B 365 9.373 2.554 -11.662 1.00 10.00 C ATOM 1395 OG SER B 365 8.800 1.526 -12.452 1.00 10.00 O ATOM 0 H SER B 365 7.446 2.201 -9.802 1.00 10.00 H new ATOM 0 HA SER B 365 10.266 1.343 -10.131 1.00 10.00 H new ATOM 0 HB2 SER B 365 8.758 3.452 -11.723 1.00 10.00 H new ATOM 0 HB3 SER B 365 10.357 2.814 -12.053 1.00 10.00 H new ATOM 0 HG SER B 365 8.727 1.829 -13.381 1.00 10.00 H new ATOM 1401 N ASP B 366 11.199 3.344 -8.999 1.00 10.00 N ATOM 1402 CA ASP B 366 11.741 4.411 -8.162 1.00 10.00 C ATOM 1403 C ASP B 366 12.708 5.273 -8.963 1.00 10.00 C ATOM 1404 O ASP B 366 13.582 4.754 -9.664 1.00 10.00 O ATOM 1405 CB ASP B 366 12.454 3.817 -6.942 1.00 10.00 C ATOM 1406 CG ASP B 366 13.398 4.798 -6.272 1.00 10.00 C ATOM 1407 OD1 ASP B 366 14.627 4.693 -6.500 1.00 10.00 O ATOM 1408 OD2 ASP B 366 12.922 5.661 -5.512 1.00 10.00 O ATOM 0 H ASP B 366 11.891 2.658 -9.302 1.00 10.00 H new ATOM 0 HA ASP B 366 10.916 5.036 -7.819 1.00 10.00 H new ATOM 0 HB2 ASP B 366 11.709 3.486 -6.218 1.00 10.00 H new ATOM 0 HB3 ASP B 366 13.014 2.934 -7.250 1.00 10.00 H new ATOM 1413 N SER B 367 12.543 6.585 -8.875 1.00 10.00 N ATOM 1414 CA SER B 367 13.400 7.518 -9.595 1.00 10.00 C ATOM 1415 C SER B 367 13.496 8.850 -8.850 1.00 10.00 C ATOM 1416 O SER B 367 12.757 9.790 -9.146 1.00 10.00 O ATOM 1417 CB SER B 367 12.865 7.746 -11.017 1.00 10.00 C ATOM 1418 OG SER B 367 12.633 6.513 -11.681 1.00 10.00 O ATOM 0 H SER B 367 11.820 7.030 -8.309 1.00 10.00 H new ATOM 0 HA SER B 367 14.398 7.085 -9.659 1.00 10.00 H new ATOM 0 HB2 SER B 367 11.938 8.318 -10.973 1.00 10.00 H new ATOM 0 HB3 SER B 367 13.580 8.340 -11.587 1.00 10.00 H new ATOM 0 HG SER B 367 12.292 6.686 -12.583 1.00 10.00 H new ATOM 1424 N PRO B 368 14.396 8.941 -7.859 1.00 10.00 N ATOM 1425 CA PRO B 368 14.588 10.162 -7.082 1.00 10.00 C ATOM 1426 C PRO B 368 15.525 11.144 -7.783 1.00 10.00 C ATOM 1427 O PRO B 368 16.345 10.692 -8.613 1.00 10.00 O ATOM 1428 CB PRO B 368 15.218 9.647 -5.792 1.00 10.00 C ATOM 1429 CG PRO B 368 15.993 8.440 -6.201 1.00 10.00 C ATOM 1430 CD PRO B 368 15.293 7.861 -7.409 1.00 10.00 C ATOM 1431 OXT PRO B 368 15.451 12.356 -7.497 1.00 10.00 O ATOM 0 HA PRO B 368 13.660 10.713 -6.931 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.866 10.399 -5.341 1.00 10.00 H new ATOM 0 HB3 PRO B 368 14.457 9.397 -5.053 1.00 10.00 H new ATOM 0 HG2 PRO B 368 17.023 8.705 -6.441 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.031 7.712 -5.391 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.005 7.584 -8.187 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.735 6.961 -7.152 1.00 10.00 H new TER 1439 PRO B 368