USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 33 HIS : no HE2:sc= 0.0963 K(o=0.8,f=-0.35) USER MOD Set 1.2: A 37 TYR OH : rot 165:sc= 0.708 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 168:sc= 2.78 (180deg=1.08) USER MOD Set 2.2: A 17 ASN : amide:sc= 0.0953 K(o=3.8,f=-6.1!) USER MOD Set 2.3: A 82 THR OG1 : rot -96:sc= 0.928 USER MOD Single : A 15 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.8!) USER MOD Single : A 18 SER OG : rot 67:sc= 1.16 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.223 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.000181 USER MOD Single : A 28 ASN : amide:sc= -0.0878 K(o=-0.088,f=-2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.59) USER MOD Single : A 49 SER OG : rot 101:sc= 1.29 USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.382 F(o=-1.3,f=0.38) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00519) USER MOD Single : A 63 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.75) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0242 K(o=-0.024,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0274) USER MOD Single : A 74 GLN : amide:sc= -0.207 K(o=-0.21,f=-3.7!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 81 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.01) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= -1.5 (180deg=-1.84) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -5.870 -9.611 -8.585 1.00 2.42 N ATOM 61 CA GLY A 5 -4.593 -9.989 -9.151 1.00 45.12 C ATOM 62 C GLY A 5 -4.182 -8.973 -10.169 1.00 63.04 C ATOM 63 O GLY A 5 -3.041 -8.981 -10.612 1.00 64.14 O ATOM 0 HA2 GLY A 5 -3.841 -10.058 -8.365 1.00 45.12 H new ATOM 0 HA3 GLY A 5 -4.664 -10.974 -9.612 1.00 45.12 H new ATOM 67 N ASP A 6 -5.105 -8.075 -10.590 1.00 63.33 N ATOM 68 CA ASP A 6 -4.754 -7.099 -11.619 1.00 24.31 C ATOM 69 C ASP A 6 -4.062 -5.947 -10.930 1.00 12.34 C ATOM 70 O ASP A 6 -4.406 -5.597 -9.806 1.00 32.35 O ATOM 71 CB ASP A 6 -5.975 -6.554 -12.402 1.00 60.54 C ATOM 72 CG ASP A 6 -5.490 -5.780 -13.613 1.00 23.44 C ATOM 73 OD1 ASP A 6 -4.762 -6.372 -14.456 1.00 62.20 O ATOM 74 OD2 ASP A 6 -5.840 -4.589 -13.737 1.00 53.10 O ATOM 0 H ASP A 6 -6.061 -8.015 -10.241 1.00 63.33 H new ATOM 0 HA ASP A 6 -4.118 -7.597 -12.350 1.00 24.31 H new ATOM 0 HB2 ASP A 6 -6.617 -7.377 -12.716 1.00 60.54 H new ATOM 0 HB3 ASP A 6 -6.575 -5.909 -11.760 1.00 60.54 H new ATOM 79 N ILE A 7 -3.033 -5.384 -11.571 1.00 73.00 N ATOM 80 CA ILE A 7 -2.231 -4.394 -10.993 1.00 75.43 C ATOM 81 C ILE A 7 -2.592 -3.063 -11.585 1.00 43.50 C ATOM 82 O ILE A 7 -2.708 -2.922 -12.812 1.00 43.40 O ATOM 83 CB ILE A 7 -0.818 -4.697 -11.323 1.00 4.31 C ATOM 84 CG1 ILE A 7 -0.559 -6.161 -10.878 1.00 51.24 C ATOM 85 CG2 ILE A 7 0.113 -3.624 -10.688 1.00 31.43 C ATOM 86 CD1 ILE A 7 0.847 -6.560 -11.007 1.00 34.33 C ATOM 0 H ILE A 7 -2.760 -5.634 -12.521 1.00 73.00 H new ATOM 0 HA ILE A 7 -2.377 -4.368 -9.913 1.00 75.43 H new ATOM 0 HB ILE A 7 -0.599 -4.640 -12.389 1.00 4.31 H new ATOM 0 HG12 ILE A 7 -0.871 -6.280 -9.840 1.00 51.24 H new ATOM 0 HG13 ILE A 7 -1.177 -6.831 -11.475 1.00 51.24 H new ATOM 0 HG21 ILE A 7 1.150 -3.851 -10.933 1.00 31.43 H new ATOM 0 HG22 ILE A 7 -0.145 -2.640 -11.080 1.00 31.43 H new ATOM 0 HG23 ILE A 7 -0.013 -3.628 -9.605 1.00 31.43 H new ATOM 0 HD11 ILE A 7 0.963 -7.593 -10.680 1.00 34.33 H new ATOM 0 HD12 ILE A 7 1.156 -6.472 -12.048 1.00 34.33 H new ATOM 0 HD13 ILE A 7 1.467 -5.912 -10.388 1.00 34.33 H new ATOM 98 N PHE A 8 -2.726 -2.046 -10.712 1.00 32.34 N ATOM 99 CA PHE A 8 -2.851 -0.687 -11.171 1.00 52.44 C ATOM 100 C PHE A 8 -1.871 0.120 -10.384 1.00 64.01 C ATOM 101 O PHE A 8 -1.530 -0.223 -9.250 1.00 64.12 O ATOM 102 CB PHE A 8 -4.293 -0.035 -11.126 1.00 11.42 C ATOM 103 CG PHE A 8 -4.872 0.056 -9.719 1.00 71.03 C ATOM 104 CD1 PHE A 8 -5.158 -1.106 -8.955 1.00 65.33 C ATOM 105 CD2 PHE A 8 -5.206 1.324 -9.164 1.00 24.10 C ATOM 106 CE1 PHE A 8 -5.757 -0.996 -7.679 1.00 14.45 C ATOM 107 CE2 PHE A 8 -5.820 1.421 -7.900 1.00 51.13 C ATOM 108 CZ PHE A 8 -6.093 0.264 -7.159 1.00 72.13 C ATOM 0 H PHE A 8 -2.748 -2.158 -9.698 1.00 32.34 H new ATOM 0 HA PHE A 8 -2.645 -0.697 -12.241 1.00 52.44 H new ATOM 0 HB2 PHE A 8 -4.245 0.965 -11.557 1.00 11.42 H new ATOM 0 HB3 PHE A 8 -4.968 -0.619 -11.752 1.00 11.42 H new ATOM 0 HD1 PHE A 8 -4.916 -2.081 -9.351 1.00 65.33 H new ATOM 0 HD2 PHE A 8 -4.986 2.223 -9.720 1.00 24.10 H new ATOM 0 HE1 PHE A 8 -5.957 -1.886 -7.101 1.00 14.45 H new ATOM 0 HE2 PHE A 8 -6.081 2.390 -7.501 1.00 51.13 H new ATOM 0 HZ PHE A 8 -6.561 0.341 -6.189 1.00 72.13 H new ATOM 118 N GLU A 9 -1.355 1.178 -11.004 1.00 11.42 N ATOM 119 CA GLU A 9 -0.405 2.037 -10.367 1.00 64.41 C ATOM 120 C GLU A 9 -1.175 3.244 -9.993 1.00 42.30 C ATOM 121 O GLU A 9 -2.087 3.639 -10.726 1.00 11.12 O ATOM 122 CB GLU A 9 0.752 2.515 -11.315 1.00 52.40 C ATOM 123 CG GLU A 9 1.452 1.377 -12.112 1.00 10.14 C ATOM 124 CD GLU A 9 0.587 0.951 -13.294 1.00 14.15 C ATOM 125 OE1 GLU A 9 -0.413 1.643 -13.601 1.00 32.41 O ATOM 126 OE2 GLU A 9 0.912 -0.073 -13.930 1.00 4.41 O ATOM 0 H GLU A 9 -1.593 1.449 -11.958 1.00 11.42 H new ATOM 0 HA GLU A 9 0.059 1.498 -9.541 1.00 64.41 H new ATOM 0 HB2 GLU A 9 0.348 3.240 -12.022 1.00 52.40 H new ATOM 0 HB3 GLU A 9 1.501 3.036 -10.718 1.00 52.40 H new ATOM 0 HG2 GLU A 9 2.424 1.718 -12.468 1.00 10.14 H new ATOM 0 HG3 GLU A 9 1.633 0.524 -11.458 1.00 10.14 H new ATOM 133 N VAL A 10 -0.834 3.877 -8.868 1.00 21.34 N ATOM 134 CA VAL A 10 -1.454 5.119 -8.536 1.00 12.01 C ATOM 135 C VAL A 10 -0.401 5.975 -7.963 1.00 12.31 C ATOM 136 O VAL A 10 0.589 5.485 -7.377 1.00 72.30 O ATOM 137 CB VAL A 10 -2.602 5.035 -7.537 1.00 42.11 C ATOM 138 CG1 VAL A 10 -3.729 4.232 -8.191 1.00 32.21 C ATOM 139 CG2 VAL A 10 -2.104 4.416 -6.208 1.00 73.21 C ATOM 0 H VAL A 10 -0.143 3.542 -8.196 1.00 21.34 H new ATOM 0 HA VAL A 10 -1.901 5.507 -9.451 1.00 12.01 H new ATOM 0 HB VAL A 10 -2.987 6.023 -7.282 1.00 42.11 H new ATOM 0 HG11 VAL A 10 -4.568 4.153 -7.500 1.00 32.21 H new ATOM 0 HG12 VAL A 10 -4.054 4.736 -9.101 1.00 32.21 H new ATOM 0 HG13 VAL A 10 -3.368 3.234 -8.439 1.00 32.21 H new ATOM 0 HG21 VAL A 10 -2.931 4.360 -5.500 1.00 73.21 H new ATOM 0 HG22 VAL A 10 -1.718 3.414 -6.395 1.00 73.21 H new ATOM 0 HG23 VAL A 10 -1.312 5.038 -5.791 1.00 73.21 H new ATOM 149 N GLU A 11 -0.589 7.277 -8.117 1.00 25.15 N ATOM 150 CA GLU A 11 0.208 8.213 -7.425 1.00 25.42 C ATOM 151 C GLU A 11 -0.683 8.769 -6.384 1.00 13.04 C ATOM 152 O GLU A 11 -1.844 9.091 -6.655 1.00 44.35 O ATOM 153 CB GLU A 11 0.757 9.356 -8.316 1.00 61.31 C ATOM 154 CG GLU A 11 -0.308 10.087 -9.154 1.00 5.21 C ATOM 155 CD GLU A 11 0.377 11.211 -9.882 1.00 71.13 C ATOM 156 OE1 GLU A 11 1.327 10.938 -10.644 1.00 43.35 O ATOM 157 OE2 GLU A 11 -0.017 12.374 -9.692 1.00 24.34 O ATOM 0 H GLU A 11 -1.298 7.687 -8.725 1.00 25.15 H new ATOM 0 HA GLU A 11 1.097 7.721 -7.030 1.00 25.42 H new ATOM 0 HB2 GLU A 11 1.262 10.083 -7.680 1.00 61.31 H new ATOM 0 HB3 GLU A 11 1.509 8.944 -8.989 1.00 61.31 H new ATOM 0 HG2 GLU A 11 -0.775 9.402 -9.861 1.00 5.21 H new ATOM 0 HG3 GLU A 11 -1.101 10.473 -8.513 1.00 5.21 H new ATOM 164 N LEU A 12 -0.202 8.824 -5.146 1.00 21.15 N ATOM 165 CA LEU A 12 -1.022 9.326 -4.103 1.00 34.34 C ATOM 166 C LEU A 12 -0.172 10.097 -3.180 1.00 63.25 C ATOM 167 O LEU A 12 0.985 9.745 -2.922 1.00 24.31 O ATOM 168 CB LEU A 12 -1.774 8.227 -3.322 1.00 62.42 C ATOM 169 CG LEU A 12 -3.286 8.391 -3.420 1.00 2.31 C ATOM 170 CD1 LEU A 12 -3.989 7.086 -3.178 1.00 4.12 C ATOM 171 CD2 LEU A 12 -3.817 9.525 -2.528 1.00 5.44 C ATOM 0 H LEU A 12 0.733 8.529 -4.866 1.00 21.15 H new ATOM 0 HA LEU A 12 -1.790 9.950 -4.560 1.00 34.34 H new ATOM 0 HB2 LEU A 12 -1.490 7.248 -3.708 1.00 62.42 H new ATOM 0 HB3 LEU A 12 -1.473 8.256 -2.275 1.00 62.42 H new ATOM 0 HG LEU A 12 -3.513 8.694 -4.442 1.00 2.31 H new ATOM 0 HD11 LEU A 12 -5.066 7.233 -3.254 1.00 4.12 H new ATOM 0 HD12 LEU A 12 -3.669 6.357 -3.922 1.00 4.12 H new ATOM 0 HD13 LEU A 12 -3.743 6.719 -2.182 1.00 4.12 H new ATOM 0 HD21 LEU A 12 -4.899 9.597 -2.637 1.00 5.44 H new ATOM 0 HD22 LEU A 12 -3.570 9.315 -1.487 1.00 5.44 H new ATOM 0 HD23 LEU A 12 -3.359 10.468 -2.827 1.00 5.44 H new ATOM 183 N ALA A 13 -0.741 11.197 -2.677 1.00 1.23 N ATOM 184 CA ALA A 13 -0.073 12.029 -1.748 1.00 0.32 C ATOM 185 C ALA A 13 -0.430 11.493 -0.429 1.00 35.24 C ATOM 186 O ALA A 13 -1.494 10.925 -0.254 1.00 33.54 O ATOM 187 CB ALA A 13 -0.523 13.508 -1.785 1.00 72.10 C ATOM 0 H ALA A 13 -1.680 11.512 -2.921 1.00 1.23 H new ATOM 0 HA ALA A 13 0.992 12.026 -1.979 1.00 0.32 H new ATOM 0 HB1 ALA A 13 0.037 14.077 -1.043 1.00 72.10 H new ATOM 0 HB2 ALA A 13 -0.336 13.921 -2.776 1.00 72.10 H new ATOM 0 HB3 ALA A 13 -1.588 13.570 -1.562 1.00 72.10 H new ATOM 193 N LYS A 14 0.462 11.655 0.533 1.00 42.55 N ATOM 194 CA LYS A 14 0.143 11.241 1.890 1.00 52.41 C ATOM 195 C LYS A 14 -0.762 12.287 2.458 1.00 44.13 C ATOM 196 O LYS A 14 -1.657 11.979 3.211 1.00 3.34 O ATOM 197 CB LYS A 14 1.353 11.097 2.852 1.00 22.20 C ATOM 198 CG LYS A 14 2.200 9.814 2.696 1.00 13.45 C ATOM 199 CD LYS A 14 2.800 9.628 1.314 1.00 52.23 C ATOM 200 CE LYS A 14 3.830 10.717 0.943 1.00 43.42 C ATOM 201 NZ LYS A 14 5.058 10.598 1.749 1.00 4.21 N ATOM 0 H LYS A 14 1.390 12.059 0.407 1.00 42.55 H new ATOM 0 HA LYS A 14 -0.296 10.246 1.816 1.00 52.41 H new ATOM 0 HB2 LYS A 14 2.006 11.958 2.712 1.00 22.20 H new ATOM 0 HB3 LYS A 14 0.983 11.141 3.876 1.00 22.20 H new ATOM 0 HG2 LYS A 14 3.006 9.833 3.430 1.00 13.45 H new ATOM 0 HG3 LYS A 14 1.577 8.950 2.928 1.00 13.45 H new ATOM 0 HD2 LYS A 14 3.280 8.651 1.263 1.00 52.23 H new ATOM 0 HD3 LYS A 14 1.999 9.629 0.575 1.00 52.23 H new ATOM 0 HE2 LYS A 14 4.079 10.638 -0.115 1.00 43.42 H new ATOM 0 HE3 LYS A 14 3.389 11.702 1.094 1.00 43.42 H new ATOM 0 HZ1 LYS A 14 5.800 11.204 1.343 1.00 4.21 H new ATOM 0 HZ2 LYS A 14 4.862 10.897 2.726 1.00 4.21 H new ATOM 0 HZ3 LYS A 14 5.380 9.609 1.748 1.00 4.21 H new ATOM 215 N ASN A 15 -0.519 13.557 2.066 1.00 2.44 N ATOM 216 CA ASN A 15 -1.260 14.723 2.572 1.00 70.44 C ATOM 217 C ASN A 15 -0.726 15.037 3.945 1.00 42.05 C ATOM 218 O ASN A 15 -0.907 14.270 4.892 1.00 61.11 O ATOM 219 CB ASN A 15 -2.821 14.587 2.609 1.00 60.42 C ATOM 220 CG ASN A 15 -3.458 15.948 2.910 1.00 32.32 C ATOM 221 OD1 ASN A 15 -2.772 16.965 3.072 1.00 53.34 O ATOM 222 ND2 ASN A 15 -4.798 15.977 2.978 1.00 3.42 N ATOM 0 H ASN A 15 0.202 13.798 1.386 1.00 2.44 H new ATOM 0 HA ASN A 15 -1.094 15.531 1.860 1.00 70.44 H new ATOM 0 HB2 ASN A 15 -3.184 14.210 1.653 1.00 60.42 H new ATOM 0 HB3 ASN A 15 -3.113 13.863 3.370 1.00 60.42 H new ATOM 0 HD21 ASN A 15 -5.280 16.856 3.168 1.00 3.42 H new ATOM 0 HD22 ASN A 15 -5.334 15.120 2.840 1.00 3.42 H new ATOM 229 N ASP A 16 0.006 16.183 4.058 1.00 23.41 N ATOM 230 CA ASP A 16 0.700 16.575 5.306 1.00 40.11 C ATOM 231 C ASP A 16 1.653 15.460 5.675 1.00 23.41 C ATOM 232 O ASP A 16 1.839 15.126 6.851 1.00 24.11 O ATOM 233 CB ASP A 16 -0.240 16.895 6.510 1.00 71.03 C ATOM 234 CG ASP A 16 0.544 17.624 7.600 1.00 73.43 C ATOM 235 OD1 ASP A 16 1.721 18.000 7.368 1.00 74.23 O ATOM 236 OD2 ASP A 16 -0.028 17.852 8.691 1.00 1.41 O ATOM 0 H ASP A 16 0.126 16.848 3.294 1.00 23.41 H new ATOM 0 HA ASP A 16 1.218 17.512 5.103 1.00 40.11 H new ATOM 0 HB2 ASP A 16 -1.076 17.511 6.177 1.00 71.03 H new ATOM 0 HB3 ASP A 16 -0.662 15.973 6.908 1.00 71.03 H new ATOM 241 N ASN A 17 2.243 14.850 4.615 1.00 34.45 N ATOM 242 CA ASN A 17 3.131 13.677 4.682 1.00 2.25 C ATOM 243 C ASN A 17 2.519 12.502 5.475 1.00 21.55 C ATOM 244 O ASN A 17 3.170 11.463 5.643 1.00 60.42 O ATOM 245 CB ASN A 17 4.559 13.985 5.224 1.00 5.22 C ATOM 246 CG ASN A 17 5.492 12.826 4.844 1.00 61.15 C ATOM 247 OD1 ASN A 17 5.407 12.310 3.740 1.00 4.11 O ATOM 248 ND2 ASN A 17 6.386 12.405 5.755 1.00 75.34 N ATOM 0 H ASN A 17 2.104 15.179 3.660 1.00 34.45 H new ATOM 0 HA ASN A 17 3.237 13.379 3.639 1.00 2.25 H new ATOM 0 HB2 ASN A 17 4.929 14.921 4.804 1.00 5.22 H new ATOM 0 HB3 ASN A 17 4.533 14.110 6.307 1.00 5.22 H new ATOM 0 HD21 ASN A 17 7.017 11.635 5.532 1.00 75.34 H new ATOM 0 HD22 ASN A 17 6.434 12.856 6.669 1.00 75.34 H new ATOM 255 N SER A 18 1.278 12.615 5.978 1.00 10.33 N ATOM 256 CA SER A 18 0.791 11.645 6.900 1.00 74.33 C ATOM 257 C SER A 18 -0.373 10.939 6.293 1.00 41.44 C ATOM 258 O SER A 18 -1.451 11.506 6.143 1.00 64.42 O ATOM 259 CB SER A 18 0.293 12.320 8.191 1.00 33.14 C ATOM 260 OG SER A 18 1.339 13.148 8.725 1.00 34.23 O ATOM 0 H SER A 18 0.624 13.364 5.751 1.00 10.33 H new ATOM 0 HA SER A 18 1.604 10.956 7.130 1.00 74.33 H new ATOM 0 HB2 SER A 18 -0.592 12.921 7.983 1.00 33.14 H new ATOM 0 HB3 SER A 18 0.002 11.565 8.921 1.00 33.14 H new ATOM 0 HG SER A 18 1.504 13.899 8.118 1.00 34.23 H new ATOM 266 N LEU A 19 -0.184 9.632 6.032 1.00 35.51 N ATOM 267 CA LEU A 19 -1.290 8.739 5.794 1.00 50.22 C ATOM 268 C LEU A 19 -1.538 8.163 7.152 1.00 21.34 C ATOM 269 O LEU A 19 -1.181 8.779 8.166 1.00 52.11 O ATOM 270 CB LEU A 19 -0.946 7.565 4.832 1.00 15.10 C ATOM 271 CG LEU A 19 -0.841 7.963 3.357 1.00 44.32 C ATOM 272 CD1 LEU A 19 -0.150 6.881 2.501 1.00 23.33 C ATOM 273 CD2 LEU A 19 -2.164 8.426 2.738 1.00 11.43 C ATOM 0 H LEU A 19 0.733 9.188 5.985 1.00 35.51 H new ATOM 0 HA LEU A 19 -2.125 9.267 5.332 1.00 50.22 H new ATOM 0 HB2 LEU A 19 -0.000 7.122 5.144 1.00 15.10 H new ATOM 0 HB3 LEU A 19 -1.709 6.793 4.934 1.00 15.10 H new ATOM 0 HG LEU A 19 -0.196 8.841 3.351 1.00 44.32 H new ATOM 0 HD11 LEU A 19 -0.101 7.213 1.464 1.00 23.33 H new ATOM 0 HD12 LEU A 19 0.860 6.711 2.875 1.00 23.33 H new ATOM 0 HD13 LEU A 19 -0.719 5.953 2.558 1.00 23.33 H new ATOM 0 HD21 LEU A 19 -2.004 8.690 1.693 1.00 11.43 H new ATOM 0 HD22 LEU A 19 -2.897 7.621 2.801 1.00 11.43 H new ATOM 0 HD23 LEU A 19 -2.534 9.297 3.279 1.00 11.43 H new ATOM 285 N GLY A 20 -2.095 6.973 7.234 1.00 0.40 N ATOM 286 CA GLY A 20 -2.253 6.356 8.524 1.00 22.23 C ATOM 287 C GLY A 20 -3.302 5.307 8.400 1.00 71.15 C ATOM 288 O GLY A 20 -4.137 5.148 9.289 1.00 43.44 O ATOM 0 H GLY A 20 -2.437 6.429 6.442 1.00 0.40 H new ATOM 0 HA2 GLY A 20 -1.312 5.918 8.856 1.00 22.23 H new ATOM 0 HA3 GLY A 20 -2.540 7.097 9.270 1.00 22.23 H new ATOM 292 N ILE A 21 -3.264 4.531 7.292 1.00 74.32 N ATOM 293 CA ILE A 21 -4.179 3.424 7.106 1.00 42.42 C ATOM 294 C ILE A 21 -3.520 2.244 7.769 1.00 4.22 C ATOM 295 O ILE A 21 -2.426 2.375 8.321 1.00 15.34 O ATOM 296 CB ILE A 21 -4.537 3.100 5.634 1.00 12.33 C ATOM 297 CG1 ILE A 21 -3.363 3.383 4.655 1.00 10.01 C ATOM 298 CG2 ILE A 21 -5.808 3.898 5.271 1.00 23.32 C ATOM 299 CD1 ILE A 21 -3.281 4.840 4.205 1.00 72.25 C ATOM 0 H ILE A 21 -2.605 4.665 6.526 1.00 74.32 H new ATOM 0 HA ILE A 21 -5.142 3.687 7.544 1.00 42.42 H new ATOM 0 HB ILE A 21 -4.729 2.032 5.534 1.00 12.33 H new ATOM 0 HG12 ILE A 21 -2.425 3.107 5.136 1.00 10.01 H new ATOM 0 HG13 ILE A 21 -3.471 2.746 3.777 1.00 10.01 H new ATOM 0 HG21 ILE A 21 -6.085 3.690 4.238 1.00 23.32 H new ATOM 0 HG22 ILE A 21 -6.623 3.604 5.932 1.00 23.32 H new ATOM 0 HG23 ILE A 21 -5.614 4.964 5.387 1.00 23.32 H new ATOM 0 HD11 ILE A 21 -2.439 4.964 3.524 1.00 72.25 H new ATOM 0 HD12 ILE A 21 -4.204 5.116 3.695 1.00 72.25 H new ATOM 0 HD13 ILE A 21 -3.141 5.482 5.075 1.00 72.25 H new ATOM 311 N CYS A 22 -4.201 1.084 7.798 1.00 24.23 N ATOM 312 CA CYS A 22 -3.637 -0.020 8.590 1.00 24.54 C ATOM 313 C CYS A 22 -3.295 -1.062 7.592 1.00 14.44 C ATOM 314 O CYS A 22 -3.724 -1.008 6.441 1.00 30.12 O ATOM 315 CB CYS A 22 -4.728 -0.616 9.541 1.00 65.15 C ATOM 316 SG CYS A 22 -4.160 -1.943 10.675 1.00 20.21 S ATOM 0 H CYS A 22 -5.081 0.893 7.319 1.00 24.23 H new ATOM 0 HA CYS A 22 -2.791 0.312 9.191 1.00 24.54 H new ATOM 0 HB2 CYS A 22 -5.143 0.195 10.140 1.00 65.15 H new ATOM 0 HB3 CYS A 22 -5.540 -1.009 8.930 1.00 65.15 H new ATOM 0 HG CYS A 22 -5.157 -2.346 11.406 1.00 20.21 H new ATOM 321 N VAL A 23 -2.382 -1.956 7.972 1.00 65.20 N ATOM 322 CA VAL A 23 -1.831 -2.882 7.050 1.00 50.04 C ATOM 323 C VAL A 23 -1.584 -4.133 7.817 1.00 44.44 C ATOM 324 O VAL A 23 -1.745 -4.167 9.039 1.00 11.34 O ATOM 325 CB VAL A 23 -0.513 -2.422 6.412 1.00 31.25 C ATOM 326 CG1 VAL A 23 -0.829 -1.301 5.394 1.00 11.03 C ATOM 327 CG2 VAL A 23 0.481 -1.983 7.524 1.00 25.54 C ATOM 0 H VAL A 23 -2.023 -2.039 8.923 1.00 65.20 H new ATOM 0 HA VAL A 23 -2.532 -3.005 6.224 1.00 50.04 H new ATOM 0 HB VAL A 23 -0.027 -3.233 5.870 1.00 31.25 H new ATOM 0 HG11 VAL A 23 0.096 -0.960 4.929 1.00 11.03 H new ATOM 0 HG12 VAL A 23 -1.501 -1.685 4.626 1.00 11.03 H new ATOM 0 HG13 VAL A 23 -1.306 -0.466 5.908 1.00 11.03 H new ATOM 0 HG21 VAL A 23 1.416 -1.657 7.068 1.00 25.54 H new ATOM 0 HG22 VAL A 23 0.049 -1.161 8.094 1.00 25.54 H new ATOM 0 HG23 VAL A 23 0.676 -2.823 8.190 1.00 25.54 H new ATOM 337 N THR A 24 -1.211 -5.180 7.101 1.00 32.03 N ATOM 338 CA THR A 24 -0.920 -6.425 7.707 1.00 52.31 C ATOM 339 C THR A 24 -0.182 -7.194 6.644 1.00 63.42 C ATOM 340 O THR A 24 -0.170 -6.778 5.482 1.00 44.15 O ATOM 341 CB THR A 24 -2.190 -7.176 8.165 1.00 32.40 C ATOM 342 OG1 THR A 24 -1.881 -8.405 8.830 1.00 13.53 O ATOM 343 CG2 THR A 24 -3.139 -7.413 6.956 1.00 32.13 C ATOM 0 H THR A 24 -1.108 -5.170 6.086 1.00 32.03 H new ATOM 0 HA THR A 24 -0.336 -6.298 8.618 1.00 52.31 H new ATOM 0 HB THR A 24 -2.702 -6.548 8.894 1.00 32.40 H new ATOM 0 HG1 THR A 24 -2.712 -8.846 9.104 1.00 13.53 H new ATOM 0 HG21 THR A 24 -4.030 -7.943 7.292 1.00 32.13 H new ATOM 0 HG22 THR A 24 -3.427 -6.454 6.526 1.00 32.13 H new ATOM 0 HG23 THR A 24 -2.625 -8.009 6.201 1.00 32.13 H new ATOM 351 N GLY A 25 0.449 -8.321 7.024 1.00 64.13 N ATOM 352 CA GLY A 25 1.173 -9.141 6.076 1.00 50.33 C ATOM 353 C GLY A 25 2.586 -8.663 5.999 1.00 71.10 C ATOM 354 O GLY A 25 3.078 -7.974 6.906 1.00 22.41 O ATOM 0 H GLY A 25 0.463 -8.671 7.982 1.00 64.13 H new ATOM 0 HA2 GLY A 25 1.145 -10.186 6.384 1.00 50.33 H new ATOM 0 HA3 GLY A 25 0.703 -9.086 5.094 1.00 50.33 H new ATOM 358 N GLY A 26 3.282 -9.020 4.896 1.00 33.21 N ATOM 359 CA GLY A 26 4.618 -8.537 4.681 1.00 23.15 C ATOM 360 C GLY A 26 5.507 -9.689 4.369 1.00 43.34 C ATOM 361 O GLY A 26 5.687 -10.042 3.212 1.00 60.00 O ATOM 0 H GLY A 26 2.926 -9.634 4.164 1.00 33.21 H new ATOM 0 HA2 GLY A 26 4.631 -7.819 3.861 1.00 23.15 H new ATOM 0 HA3 GLY A 26 4.976 -8.015 5.568 1.00 23.15 H new ATOM 365 N VAL A 27 6.123 -10.263 5.436 1.00 24.42 N ATOM 366 CA VAL A 27 7.304 -11.149 5.345 1.00 21.23 C ATOM 367 C VAL A 27 7.021 -12.505 4.656 1.00 22.42 C ATOM 368 O VAL A 27 7.807 -13.442 4.793 1.00 4.32 O ATOM 369 CB VAL A 27 7.969 -11.398 6.696 1.00 50.44 C ATOM 370 CG1 VAL A 27 9.499 -11.458 6.469 1.00 63.11 C ATOM 371 CG2 VAL A 27 7.537 -10.290 7.685 1.00 35.15 C ATOM 0 H VAL A 27 5.805 -10.118 6.394 1.00 24.42 H new ATOM 0 HA VAL A 27 7.994 -10.592 4.711 1.00 21.23 H new ATOM 0 HB VAL A 27 7.661 -12.345 7.138 1.00 50.44 H new ATOM 0 HG11 VAL A 27 10.001 -11.635 7.420 1.00 63.11 H new ATOM 0 HG12 VAL A 27 9.733 -12.268 5.778 1.00 63.11 H new ATOM 0 HG13 VAL A 27 9.842 -10.513 6.048 1.00 63.11 H new ATOM 0 HG21 VAL A 27 8.009 -10.462 8.653 1.00 35.15 H new ATOM 0 HG22 VAL A 27 7.844 -9.318 7.299 1.00 35.15 H new ATOM 0 HG23 VAL A 27 6.453 -10.308 7.801 1.00 35.15 H new ATOM 381 N ASN A 28 5.898 -12.622 3.937 1.00 31.43 N ATOM 382 CA ASN A 28 5.474 -13.863 3.230 1.00 40.43 C ATOM 383 C ASN A 28 4.741 -14.735 4.192 1.00 74.53 C ATOM 384 O ASN A 28 4.374 -15.860 3.866 1.00 43.42 O ATOM 385 CB ASN A 28 6.574 -14.696 2.484 1.00 44.01 C ATOM 386 CG ASN A 28 7.115 -13.862 1.320 1.00 4.10 C ATOM 387 OD1 ASN A 28 6.360 -13.465 0.427 1.00 62.33 O ATOM 388 ND2 ASN A 28 8.437 -13.588 1.300 1.00 31.30 N ATOM 0 H ASN A 28 5.240 -11.852 3.821 1.00 31.43 H new ATOM 0 HA ASN A 28 4.847 -13.504 2.413 1.00 40.43 H new ATOM 0 HB2 ASN A 28 7.381 -14.956 3.169 1.00 44.01 H new ATOM 0 HB3 ASN A 28 6.154 -15.632 2.115 1.00 44.01 H new ATOM 0 HD21 ASN A 28 8.833 -13.042 0.535 1.00 31.30 H new ATOM 0 HD22 ASN A 28 9.040 -13.927 2.050 1.00 31.30 H new ATOM 395 N THR A 29 4.501 -14.180 5.389 1.00 33.14 N ATOM 396 CA THR A 29 3.502 -14.603 6.383 1.00 61.21 C ATOM 397 C THR A 29 2.149 -15.082 5.758 1.00 15.01 C ATOM 398 O THR A 29 2.014 -15.331 4.564 1.00 54.13 O ATOM 399 CB THR A 29 3.236 -13.512 7.410 1.00 52.11 C ATOM 400 OG1 THR A 29 2.858 -12.292 6.750 1.00 13.02 O ATOM 401 CG2 THR A 29 4.533 -13.280 8.205 1.00 51.55 C ATOM 0 H THR A 29 5.034 -13.371 5.710 1.00 33.14 H new ATOM 0 HA THR A 29 3.947 -15.466 6.877 1.00 61.21 H new ATOM 0 HB THR A 29 2.426 -13.815 8.073 1.00 52.11 H new ATOM 0 HG1 THR A 29 2.687 -11.597 7.420 1.00 13.02 H new ATOM 0 HG21 THR A 29 4.369 -12.501 8.949 1.00 51.55 H new ATOM 0 HG22 THR A 29 4.824 -14.204 8.705 1.00 51.55 H new ATOM 0 HG23 THR A 29 5.326 -12.970 7.525 1.00 51.55 H new ATOM 409 N SER A 30 1.138 -15.278 6.641 1.00 13.02 N ATOM 410 CA SER A 30 -0.113 -15.947 6.315 1.00 20.22 C ATOM 411 C SER A 30 -0.847 -15.272 5.169 1.00 24.24 C ATOM 412 O SER A 30 -1.694 -15.897 4.523 1.00 45.30 O ATOM 413 CB SER A 30 -1.056 -15.988 7.524 1.00 32.23 C ATOM 414 OG SER A 30 -0.335 -16.440 8.678 1.00 73.42 O ATOM 0 H SER A 30 1.186 -14.965 7.611 1.00 13.02 H new ATOM 0 HA SER A 30 0.162 -16.959 6.018 1.00 20.22 H new ATOM 0 HB2 SER A 30 -1.473 -14.998 7.707 1.00 32.23 H new ATOM 0 HB3 SER A 30 -1.895 -16.654 7.322 1.00 32.23 H new ATOM 0 HG SER A 30 -0.937 -16.465 9.451 1.00 73.42 H new ATOM 420 N VAL A 31 -0.553 -13.992 4.899 1.00 45.21 N ATOM 421 CA VAL A 31 -1.220 -13.299 3.830 1.00 51.24 C ATOM 422 C VAL A 31 -0.803 -13.927 2.486 1.00 13.02 C ATOM 423 O VAL A 31 0.364 -14.266 2.272 1.00 70.24 O ATOM 424 CB VAL A 31 -0.968 -11.808 3.821 1.00 31.50 C ATOM 425 CG1 VAL A 31 -1.556 -11.216 5.125 1.00 53.24 C ATOM 426 CG2 VAL A 31 0.546 -11.540 3.663 1.00 42.43 C ATOM 0 H VAL A 31 0.135 -13.437 5.408 1.00 45.21 H new ATOM 0 HA VAL A 31 -2.292 -13.414 3.990 1.00 51.24 H new ATOM 0 HB VAL A 31 -1.458 -11.322 2.977 1.00 31.50 H new ATOM 0 HG11 VAL A 31 -1.387 -10.139 5.144 1.00 53.24 H new ATOM 0 HG12 VAL A 31 -2.627 -11.416 5.165 1.00 53.24 H new ATOM 0 HG13 VAL A 31 -1.068 -11.675 5.985 1.00 53.24 H new ATOM 0 HG21 VAL A 31 0.727 -10.465 3.657 1.00 42.43 H new ATOM 0 HG22 VAL A 31 1.085 -11.993 4.495 1.00 42.43 H new ATOM 0 HG23 VAL A 31 0.896 -11.972 2.726 1.00 42.43 H new ATOM 436 N ARG A 32 -1.814 -14.131 1.602 1.00 64.12 N ATOM 437 CA ARG A 32 -1.678 -14.866 0.346 1.00 10.43 C ATOM 438 C ARG A 32 -0.420 -14.454 -0.406 1.00 32.10 C ATOM 439 O ARG A 32 0.514 -15.228 -0.524 1.00 52.52 O ATOM 440 CB ARG A 32 -2.922 -14.708 -0.584 1.00 21.21 C ATOM 441 CG ARG A 32 -3.129 -15.833 -1.629 1.00 41.45 C ATOM 442 CD ARG A 32 -2.006 -15.975 -2.696 1.00 12.42 C ATOM 443 NE ARG A 32 -2.486 -16.878 -3.811 1.00 22.22 N ATOM 444 CZ ARG A 32 -2.417 -18.265 -3.738 1.00 42.30 C ATOM 445 NH1 ARG A 32 -1.992 -18.895 -2.610 1.00 65.00 N ATOM 446 NH2 ARG A 32 -2.792 -19.012 -4.807 1.00 21.21 N ATOM 0 H ARG A 32 -2.758 -13.777 1.758 1.00 64.12 H new ATOM 0 HA ARG A 32 -1.602 -15.917 0.623 1.00 10.43 H new ATOM 0 HB2 ARG A 32 -3.814 -14.649 0.040 1.00 21.21 H new ATOM 0 HB3 ARG A 32 -2.839 -13.758 -1.112 1.00 21.21 H new ATOM 0 HG2 ARG A 32 -3.225 -16.782 -1.101 1.00 41.45 H new ATOM 0 HG3 ARG A 32 -4.074 -15.657 -2.143 1.00 41.45 H new ATOM 0 HD2 ARG A 32 -1.741 -14.996 -3.094 1.00 12.42 H new ATOM 0 HD3 ARG A 32 -1.106 -16.388 -2.240 1.00 12.42 H new ATOM 0 HE ARG A 32 -2.877 -16.452 -4.651 1.00 22.22 H new ATOM 0 HH11 ARG A 32 -1.716 -18.349 -1.794 1.00 65.00 H new ATOM 0 HH12 ARG A 32 -1.950 -19.914 -2.580 1.00 65.00 H new ATOM 0 HH21 ARG A 32 -3.122 -18.556 -5.657 1.00 21.21 H new ATOM 0 HH22 ARG A 32 -2.744 -20.030 -4.760 1.00 21.21 H new ATOM 460 N HIS A 33 -0.391 -13.228 -0.959 1.00 41.13 N ATOM 461 CA HIS A 33 0.685 -12.854 -1.886 1.00 52.00 C ATOM 462 C HIS A 33 1.886 -12.332 -1.137 1.00 63.03 C ATOM 463 O HIS A 33 2.762 -11.733 -1.747 1.00 32.11 O ATOM 464 CB HIS A 33 0.289 -11.767 -2.911 1.00 62.23 C ATOM 465 CG HIS A 33 -0.630 -12.248 -3.993 1.00 41.31 C ATOM 466 ND1 HIS A 33 -1.987 -12.346 -3.840 1.00 52.44 N ATOM 467 CD2 HIS A 33 -0.342 -12.624 -5.253 1.00 55.31 C ATOM 468 CE1 HIS A 33 -2.499 -12.773 -4.988 1.00 23.41 C ATOM 469 NE2 HIS A 33 -1.514 -12.942 -5.855 1.00 21.23 N ATOM 0 H HIS A 33 -1.082 -12.498 -0.785 1.00 41.13 H new ATOM 0 HA HIS A 33 0.908 -13.775 -2.424 1.00 52.00 H new ATOM 0 HB2 HIS A 33 -0.190 -10.943 -2.383 1.00 62.23 H new ATOM 0 HB3 HIS A 33 1.194 -11.369 -3.369 1.00 62.23 H new ATOM 0 HD1 HIS A 33 -2.512 -12.129 -2.993 1.00 52.44 H new ATOM 0 HD2 HIS A 33 0.640 -12.665 -5.701 1.00 55.31 H new ATOM 0 HE1 HIS A 33 -3.546 -12.953 -5.182 1.00 23.41 H new ATOM 478 N GLY A 34 1.972 -12.568 0.195 1.00 51.33 N ATOM 479 CA GLY A 34 3.134 -12.119 0.994 1.00 62.33 C ATOM 480 C GLY A 34 3.423 -10.664 0.721 1.00 34.32 C ATOM 481 O GLY A 34 4.470 -10.312 0.196 1.00 31.25 O ATOM 0 H GLY A 34 1.258 -13.061 0.732 1.00 51.33 H new ATOM 0 HA2 GLY A 34 2.933 -12.264 2.055 1.00 62.33 H new ATOM 0 HA3 GLY A 34 4.008 -12.723 0.750 1.00 62.33 H new ATOM 485 N GLY A 35 2.481 -9.801 1.044 1.00 22.41 N ATOM 486 CA GLY A 35 2.606 -8.421 0.720 1.00 61.41 C ATOM 487 C GLY A 35 1.829 -7.750 1.750 1.00 43.10 C ATOM 488 O GLY A 35 1.264 -8.414 2.615 1.00 35.21 O ATOM 0 H GLY A 35 1.621 -10.047 1.534 1.00 22.41 H new ATOM 0 HA2 GLY A 35 3.648 -8.100 0.732 1.00 61.41 H new ATOM 0 HA3 GLY A 35 2.218 -8.207 -0.276 1.00 61.41 H new ATOM 492 N ILE A 36 1.769 -6.418 1.702 1.00 3.34 N ATOM 493 CA ILE A 36 1.007 -5.702 2.635 1.00 22.45 C ATOM 494 C ILE A 36 -0.349 -5.672 2.087 1.00 64.43 C ATOM 495 O ILE A 36 -0.547 -5.398 0.906 1.00 51.13 O ATOM 496 CB ILE A 36 1.537 -4.291 2.885 1.00 2.42 C ATOM 497 CG1 ILE A 36 2.256 -4.309 4.201 1.00 24.34 C ATOM 498 CG2 ILE A 36 0.405 -3.226 2.867 1.00 33.10 C ATOM 499 CD1 ILE A 36 3.384 -5.308 4.295 1.00 31.53 C ATOM 0 H ILE A 36 2.253 -5.843 1.012 1.00 3.34 H new ATOM 0 HA ILE A 36 1.047 -6.184 3.612 1.00 22.45 H new ATOM 0 HB ILE A 36 2.217 -4.005 2.083 1.00 2.42 H new ATOM 0 HG12 ILE A 36 2.655 -3.313 4.394 1.00 24.34 H new ATOM 0 HG13 ILE A 36 1.535 -4.522 4.990 1.00 24.34 H new ATOM 0 HG21 ILE A 36 0.831 -2.239 3.049 1.00 33.10 H new ATOM 0 HG22 ILE A 36 -0.087 -3.235 1.895 1.00 33.10 H new ATOM 0 HG23 ILE A 36 -0.323 -3.456 3.645 1.00 33.10 H new ATOM 0 HD11 ILE A 36 3.843 -5.247 5.282 1.00 31.53 H new ATOM 0 HD12 ILE A 36 2.994 -6.313 4.138 1.00 31.53 H new ATOM 0 HD13 ILE A 36 4.131 -5.086 3.533 1.00 31.53 H new ATOM 511 N TYR A 37 -1.316 -5.986 2.921 1.00 4.14 N ATOM 512 CA TYR A 37 -2.698 -5.876 2.522 1.00 62.03 C ATOM 513 C TYR A 37 -3.205 -4.745 3.314 1.00 61.13 C ATOM 514 O TYR A 37 -2.736 -4.519 4.433 1.00 71.33 O ATOM 515 CB TYR A 37 -3.574 -7.114 2.890 1.00 44.00 C ATOM 516 CG TYR A 37 -3.301 -8.222 1.906 1.00 24.32 C ATOM 517 CD1 TYR A 37 -2.027 -8.852 1.834 1.00 53.03 C ATOM 518 CD2 TYR A 37 -4.320 -8.656 1.030 1.00 33.23 C ATOM 519 CE1 TYR A 37 -1.784 -9.864 0.886 1.00 53.14 C ATOM 520 CE2 TYR A 37 -4.078 -9.668 0.093 1.00 23.20 C ATOM 521 CZ TYR A 37 -2.807 -10.268 0.015 1.00 61.04 C ATOM 522 OH TYR A 37 -2.567 -11.269 -0.939 1.00 11.34 O ATOM 0 H TYR A 37 -1.170 -6.318 3.874 1.00 4.14 H new ATOM 0 HA TYR A 37 -2.752 -5.772 1.438 1.00 62.03 H new ATOM 0 HB2 TYR A 37 -3.348 -7.447 3.903 1.00 44.00 H new ATOM 0 HB3 TYR A 37 -4.630 -6.846 2.871 1.00 44.00 H new ATOM 0 HD1 TYR A 37 -1.241 -8.552 2.511 1.00 53.03 H new ATOM 0 HD2 TYR A 37 -5.298 -8.202 1.083 1.00 33.23 H new ATOM 0 HE1 TYR A 37 -0.811 -10.329 0.829 1.00 53.14 H new ATOM 0 HE2 TYR A 37 -4.867 -9.989 -0.571 1.00 23.20 H new ATOM 0 HH TYR A 37 -3.421 -11.595 -1.293 1.00 11.34 H new ATOM 532 N VAL A 38 -4.172 -3.984 2.770 1.00 62.43 N ATOM 533 CA VAL A 38 -4.711 -2.885 3.509 1.00 23.41 C ATOM 534 C VAL A 38 -5.744 -3.474 4.439 1.00 34.53 C ATOM 535 O VAL A 38 -6.837 -3.865 4.031 1.00 5.43 O ATOM 536 CB VAL A 38 -5.337 -1.824 2.625 1.00 22.43 C ATOM 537 CG1 VAL A 38 -5.771 -0.631 3.505 1.00 2.43 C ATOM 538 CG2 VAL A 38 -4.288 -1.430 1.555 1.00 11.33 C ATOM 0 H VAL A 38 -4.572 -4.124 1.842 1.00 62.43 H new ATOM 0 HA VAL A 38 -3.911 -2.375 4.046 1.00 23.41 H new ATOM 0 HB VAL A 38 -6.230 -2.185 2.115 1.00 22.43 H new ATOM 0 HG11 VAL A 38 -6.223 0.138 2.878 1.00 2.43 H new ATOM 0 HG12 VAL A 38 -6.497 -0.969 4.244 1.00 2.43 H new ATOM 0 HG13 VAL A 38 -4.900 -0.219 4.014 1.00 2.43 H new ATOM 0 HG21 VAL A 38 -4.706 -0.666 0.900 1.00 11.33 H new ATOM 0 HG22 VAL A 38 -3.397 -1.039 2.046 1.00 11.33 H new ATOM 0 HG23 VAL A 38 -4.022 -2.308 0.966 1.00 11.33 H new ATOM 548 N LYS A 39 -5.339 -3.598 5.712 1.00 4.30 N ATOM 549 CA LYS A 39 -6.113 -4.292 6.717 1.00 63.33 C ATOM 550 C LYS A 39 -7.330 -3.483 7.094 1.00 63.01 C ATOM 551 O LYS A 39 -8.380 -4.049 7.402 1.00 5.33 O ATOM 552 CB LYS A 39 -5.291 -4.523 8.009 1.00 40.25 C ATOM 553 CG LYS A 39 -5.887 -5.579 8.947 1.00 3.24 C ATOM 554 CD LYS A 39 -5.230 -5.601 10.325 1.00 5.34 C ATOM 555 CE LYS A 39 -5.819 -6.665 11.264 1.00 24.10 C ATOM 556 NZ LYS A 39 -5.226 -6.548 12.605 1.00 51.03 N ATOM 0 H LYS A 39 -4.461 -3.214 6.061 1.00 4.30 H new ATOM 0 HA LYS A 39 -6.400 -5.251 6.286 1.00 63.33 H new ATOM 0 HB2 LYS A 39 -4.280 -4.824 7.735 1.00 40.25 H new ATOM 0 HB3 LYS A 39 -5.207 -3.579 8.548 1.00 40.25 H new ATOM 0 HG2 LYS A 39 -6.954 -5.391 9.064 1.00 3.24 H new ATOM 0 HG3 LYS A 39 -5.785 -6.562 8.488 1.00 3.24 H new ATOM 0 HD2 LYS A 39 -4.162 -5.782 10.207 1.00 5.34 H new ATOM 0 HD3 LYS A 39 -5.338 -4.620 10.787 1.00 5.34 H new ATOM 0 HE2 LYS A 39 -6.901 -6.546 11.326 1.00 24.10 H new ATOM 0 HE3 LYS A 39 -5.630 -7.660 10.861 1.00 24.10 H new ATOM 0 HZ1 LYS A 39 -5.633 -7.273 13.229 1.00 51.03 H new ATOM 0 HZ2 LYS A 39 -4.197 -6.683 12.542 1.00 51.03 H new ATOM 0 HZ3 LYS A 39 -5.428 -5.604 12.993 1.00 51.03 H new ATOM 570 N ALA A 40 -7.213 -2.158 7.083 1.00 63.30 N ATOM 571 CA ALA A 40 -8.327 -1.331 7.487 1.00 23.55 C ATOM 572 C ALA A 40 -8.112 -0.022 6.866 1.00 41.45 C ATOM 573 O ALA A 40 -6.964 0.398 6.688 1.00 55.30 O ATOM 574 CB ALA A 40 -8.444 -1.099 9.015 1.00 74.21 C ATOM 0 H ALA A 40 -6.374 -1.650 6.804 1.00 63.30 H new ATOM 0 HA ALA A 40 -9.240 -1.842 7.181 1.00 23.55 H new ATOM 0 HB1 ALA A 40 -9.308 -0.468 9.222 1.00 74.21 H new ATOM 0 HB2 ALA A 40 -8.565 -2.057 9.520 1.00 74.21 H new ATOM 0 HB3 ALA A 40 -7.541 -0.609 9.379 1.00 74.21 H new ATOM 580 N VAL A 41 -9.207 0.662 6.500 1.00 33.03 N ATOM 581 CA VAL A 41 -9.109 1.957 5.925 1.00 62.02 C ATOM 582 C VAL A 41 -9.910 2.858 6.854 1.00 14.41 C ATOM 583 O VAL A 41 -11.069 2.556 7.172 1.00 61.42 O ATOM 584 CB VAL A 41 -9.711 2.009 4.520 1.00 3.33 C ATOM 585 CG1 VAL A 41 -9.474 3.392 3.920 1.00 60.11 C ATOM 586 CG2 VAL A 41 -9.077 0.885 3.672 1.00 65.53 C ATOM 0 H VAL A 41 -10.160 0.315 6.604 1.00 33.03 H new ATOM 0 HA VAL A 41 -8.066 2.258 5.823 1.00 62.02 H new ATOM 0 HB VAL A 41 -10.789 1.847 4.547 1.00 3.33 H new ATOM 0 HG11 VAL A 41 -9.902 3.432 2.918 1.00 60.11 H new ATOM 0 HG12 VAL A 41 -9.948 4.147 4.548 1.00 60.11 H new ATOM 0 HG13 VAL A 41 -8.403 3.586 3.865 1.00 60.11 H new ATOM 0 HG21 VAL A 41 -9.496 0.908 2.666 1.00 65.53 H new ATOM 0 HG22 VAL A 41 -7.998 1.033 3.620 1.00 65.53 H new ATOM 0 HG23 VAL A 41 -9.289 -0.081 4.131 1.00 65.53 H new ATOM 596 N ILE A 42 -9.285 3.942 7.339 1.00 11.24 N ATOM 597 CA ILE A 42 -9.932 4.908 8.229 1.00 2.14 C ATOM 598 C ILE A 42 -10.371 6.076 7.327 1.00 5.42 C ATOM 599 O ILE A 42 -10.118 6.032 6.141 1.00 21.25 O ATOM 600 CB ILE A 42 -9.032 5.347 9.409 1.00 53.32 C ATOM 601 CG1 ILE A 42 -7.885 6.289 8.991 1.00 51.32 C ATOM 602 CG2 ILE A 42 -8.541 4.069 10.125 1.00 74.13 C ATOM 603 CD1 ILE A 42 -6.935 5.673 7.999 1.00 14.42 C ATOM 0 H ILE A 42 -8.315 4.170 7.122 1.00 11.24 H new ATOM 0 HA ILE A 42 -10.791 4.463 8.731 1.00 2.14 H new ATOM 0 HB ILE A 42 -9.615 5.954 10.101 1.00 53.32 H new ATOM 0 HG12 ILE A 42 -8.309 7.197 8.561 1.00 51.32 H new ATOM 0 HG13 ILE A 42 -7.328 6.587 9.879 1.00 51.32 H new ATOM 0 HG21 ILE A 42 -7.902 4.345 10.964 1.00 74.13 H new ATOM 0 HG22 ILE A 42 -9.399 3.505 10.492 1.00 74.13 H new ATOM 0 HG23 ILE A 42 -7.975 3.454 9.425 1.00 74.13 H new ATOM 0 HD11 ILE A 42 -6.154 6.391 7.749 1.00 14.42 H new ATOM 0 HD12 ILE A 42 -6.483 4.781 8.433 1.00 14.42 H new ATOM 0 HD13 ILE A 42 -7.479 5.400 7.095 1.00 14.42 H new ATOM 615 N PRO A 43 -11.163 7.055 7.834 1.00 64.34 N ATOM 616 CA PRO A 43 -11.592 8.187 7.016 1.00 22.32 C ATOM 617 C PRO A 43 -10.522 9.267 7.015 1.00 72.25 C ATOM 618 O PRO A 43 -9.545 9.178 7.763 1.00 30.11 O ATOM 619 CB PRO A 43 -12.814 8.722 7.775 1.00 24.34 C ATOM 620 CG PRO A 43 -12.448 8.479 9.239 1.00 64.10 C ATOM 621 CD PRO A 43 -11.727 7.116 9.199 1.00 54.00 C ATOM 0 HA PRO A 43 -11.790 7.908 5.981 1.00 22.32 H new ATOM 0 HB2 PRO A 43 -12.983 9.780 7.572 1.00 24.34 H new ATOM 0 HB3 PRO A 43 -13.725 8.194 7.495 1.00 24.34 H new ATOM 0 HG2 PRO A 43 -11.802 9.265 9.629 1.00 64.10 H new ATOM 0 HG3 PRO A 43 -13.332 8.449 9.876 1.00 64.10 H new ATOM 0 HD2 PRO A 43 -10.947 7.054 9.957 1.00 54.00 H new ATOM 0 HD3 PRO A 43 -12.417 6.293 9.384 1.00 54.00 H new ATOM 629 N GLN A 44 -10.831 10.359 6.271 1.00 15.11 N ATOM 630 CA GLN A 44 -10.201 11.670 6.399 1.00 32.41 C ATOM 631 C GLN A 44 -8.820 11.727 5.780 1.00 24.00 C ATOM 632 O GLN A 44 -8.293 12.806 5.515 1.00 3.12 O ATOM 633 CB GLN A 44 -10.147 12.133 7.890 1.00 72.02 C ATOM 634 CG GLN A 44 -10.473 13.616 8.142 1.00 61.01 C ATOM 635 CD GLN A 44 -9.337 14.494 7.638 1.00 14.44 C ATOM 636 OE1 GLN A 44 -8.165 14.300 8.003 1.00 11.02 O ATOM 637 NE2 GLN A 44 -9.675 15.480 6.791 1.00 50.00 N ATOM 0 H GLN A 44 -11.549 10.336 5.547 1.00 15.11 H new ATOM 0 HA GLN A 44 -10.831 12.360 5.838 1.00 32.41 H new ATOM 0 HB2 GLN A 44 -10.844 11.524 8.466 1.00 72.02 H new ATOM 0 HB3 GLN A 44 -9.149 11.928 8.279 1.00 72.02 H new ATOM 0 HG2 GLN A 44 -11.401 13.883 7.637 1.00 61.01 H new ATOM 0 HG3 GLN A 44 -10.629 13.786 9.207 1.00 61.01 H new ATOM 0 HE21 GLN A 44 -10.649 15.605 6.517 1.00 50.00 H new ATOM 0 HE22 GLN A 44 -8.957 16.104 6.422 1.00 50.00 H new ATOM 646 N GLY A 45 -8.243 10.608 5.477 1.00 61.15 N ATOM 647 CA GLY A 45 -6.898 10.593 4.921 1.00 12.33 C ATOM 648 C GLY A 45 -6.971 10.677 3.434 1.00 74.11 C ATOM 649 O GLY A 45 -8.040 10.779 2.844 1.00 12.54 O ATOM 0 H GLY A 45 -8.667 9.688 5.599 1.00 61.15 H new ATOM 0 HA2 GLY A 45 -6.321 11.430 5.315 1.00 12.33 H new ATOM 0 HA3 GLY A 45 -6.380 9.681 5.219 1.00 12.33 H new ATOM 653 N ALA A 46 -5.794 10.661 2.810 1.00 33.14 N ATOM 654 CA ALA A 46 -5.693 10.762 1.372 1.00 24.52 C ATOM 655 C ALA A 46 -6.163 9.477 0.742 1.00 5.34 C ATOM 656 O ALA A 46 -7.015 9.499 -0.121 1.00 21.35 O ATOM 657 CB ALA A 46 -4.266 11.018 0.883 1.00 41.04 C ATOM 0 H ALA A 46 -4.898 10.578 3.289 1.00 33.14 H new ATOM 0 HA ALA A 46 -6.312 11.611 1.083 1.00 24.52 H new ATOM 0 HB1 ALA A 46 -4.260 11.083 -0.205 1.00 41.04 H new ATOM 0 HB2 ALA A 46 -3.899 11.954 1.304 1.00 41.04 H new ATOM 0 HB3 ALA A 46 -3.620 10.199 1.201 1.00 41.04 H new ATOM 663 N ALA A 47 -5.576 8.319 1.176 1.00 41.24 N ATOM 664 CA ALA A 47 -5.802 7.029 0.498 1.00 11.55 C ATOM 665 C ALA A 47 -7.276 6.743 0.402 1.00 34.35 C ATOM 666 O ALA A 47 -7.804 6.456 -0.685 1.00 14.21 O ATOM 667 CB ALA A 47 -5.179 5.854 1.281 1.00 54.05 C ATOM 0 H ALA A 47 -4.953 8.266 1.982 1.00 41.24 H new ATOM 0 HA ALA A 47 -5.341 7.113 -0.486 1.00 11.55 H new ATOM 0 HB1 ALA A 47 -5.367 4.922 0.749 1.00 54.05 H new ATOM 0 HB2 ALA A 47 -4.104 6.008 1.374 1.00 54.05 H new ATOM 0 HB3 ALA A 47 -5.625 5.801 2.274 1.00 54.05 H new ATOM 673 N GLU A 48 -7.955 6.849 1.531 1.00 70.43 N ATOM 674 CA GLU A 48 -9.358 6.605 1.643 1.00 65.35 C ATOM 675 C GLU A 48 -10.146 7.578 0.772 1.00 24.35 C ATOM 676 O GLU A 48 -10.934 7.161 -0.065 1.00 23.20 O ATOM 677 CB GLU A 48 -9.829 6.739 3.103 1.00 30.22 C ATOM 678 CG GLU A 48 -9.216 7.915 3.870 1.00 1.23 C ATOM 679 CD GLU A 48 -7.924 7.499 4.606 1.00 24.53 C ATOM 680 OE1 GLU A 48 -6.981 7.014 3.959 1.00 22.12 O ATOM 681 OE2 GLU A 48 -7.845 7.721 5.821 1.00 21.31 O ATOM 0 H GLU A 48 -7.520 7.116 2.414 1.00 70.43 H new ATOM 0 HA GLU A 48 -9.540 5.585 1.303 1.00 65.35 H new ATOM 0 HB2 GLU A 48 -10.914 6.844 3.112 1.00 30.22 H new ATOM 0 HB3 GLU A 48 -9.593 5.816 3.632 1.00 30.22 H new ATOM 0 HG2 GLU A 48 -8.996 8.727 3.177 1.00 1.23 H new ATOM 0 HG3 GLU A 48 -9.939 8.297 4.590 1.00 1.23 H new ATOM 688 N SER A 49 -9.942 8.890 0.975 1.00 14.43 N ATOM 689 CA SER A 49 -10.700 9.930 0.280 1.00 52.11 C ATOM 690 C SER A 49 -10.465 9.861 -1.214 1.00 65.21 C ATOM 691 O SER A 49 -11.298 10.304 -2.003 1.00 43.53 O ATOM 692 CB SER A 49 -10.314 11.348 0.754 1.00 2.53 C ATOM 693 OG SER A 49 -10.455 11.448 2.176 1.00 11.21 O ATOM 0 H SER A 49 -9.246 9.254 1.626 1.00 14.43 H new ATOM 0 HA SER A 49 -11.749 9.746 0.512 1.00 52.11 H new ATOM 0 HB2 SER A 49 -9.286 11.569 0.466 1.00 2.53 H new ATOM 0 HB3 SER A 49 -10.947 12.088 0.265 1.00 2.53 H new ATOM 0 HG SER A 49 -9.575 11.361 2.599 1.00 11.21 H new ATOM 699 N ASP A 50 -9.321 9.313 -1.635 1.00 12.34 N ATOM 700 CA ASP A 50 -9.012 9.276 -3.053 1.00 44.34 C ATOM 701 C ASP A 50 -9.694 8.052 -3.620 1.00 15.44 C ATOM 702 O ASP A 50 -10.107 8.024 -4.771 1.00 31.01 O ATOM 703 CB ASP A 50 -7.497 9.226 -3.372 1.00 13.21 C ATOM 704 CG ASP A 50 -7.242 9.760 -4.792 1.00 31.12 C ATOM 705 OD1 ASP A 50 -8.213 10.064 -5.532 1.00 71.13 O ATOM 706 OD2 ASP A 50 -6.059 9.906 -5.167 1.00 33.43 O ATOM 0 H ASP A 50 -8.614 8.901 -1.026 1.00 12.34 H new ATOM 0 HA ASP A 50 -9.368 10.203 -3.502 1.00 44.34 H new ATOM 0 HB2 ASP A 50 -6.944 9.821 -2.646 1.00 13.21 H new ATOM 0 HB3 ASP A 50 -7.133 8.202 -3.288 1.00 13.21 H new ATOM 711 N GLY A 51 -9.883 7.015 -2.772 1.00 22.23 N ATOM 712 CA GLY A 51 -10.649 5.841 -3.176 1.00 31.25 C ATOM 713 C GLY A 51 -9.812 4.956 -4.041 1.00 52.33 C ATOM 714 O GLY A 51 -10.325 4.064 -4.709 1.00 22.01 O ATOM 0 H GLY A 51 -9.517 6.978 -1.821 1.00 22.23 H new ATOM 0 HA2 GLY A 51 -10.981 5.293 -2.295 1.00 31.25 H new ATOM 0 HA3 GLY A 51 -11.544 6.149 -3.716 1.00 31.25 H new ATOM 718 N ARG A 52 -8.492 5.175 -4.049 1.00 41.34 N ATOM 719 CA ARG A 52 -7.615 4.406 -4.911 1.00 33.44 C ATOM 720 C ARG A 52 -7.004 3.329 -4.075 1.00 42.54 C ATOM 721 O ARG A 52 -6.134 2.598 -4.521 1.00 4.13 O ATOM 722 CB ARG A 52 -6.495 5.251 -5.521 1.00 1.32 C ATOM 723 CG ARG A 52 -7.037 6.418 -6.348 1.00 25.23 C ATOM 724 CD ARG A 52 -5.949 7.225 -7.064 1.00 41.14 C ATOM 725 NE ARG A 52 -6.596 8.462 -7.626 1.00 23.13 N ATOM 726 CZ ARG A 52 -7.003 8.554 -8.949 1.00 0.30 C ATOM 727 NH1 ARG A 52 -6.848 7.496 -9.804 1.00 20.42 N ATOM 728 NH2 ARG A 52 -7.562 9.709 -9.400 1.00 74.44 N ATOM 0 H ARG A 52 -8.021 5.872 -3.472 1.00 41.34 H new ATOM 0 HA ARG A 52 -8.203 4.010 -5.739 1.00 33.44 H new ATOM 0 HB2 ARG A 52 -5.858 5.637 -4.725 1.00 1.32 H new ATOM 0 HB3 ARG A 52 -5.869 4.620 -6.152 1.00 1.32 H new ATOM 0 HG2 ARG A 52 -7.737 6.032 -7.089 1.00 25.23 H new ATOM 0 HG3 ARG A 52 -7.600 7.084 -5.694 1.00 25.23 H new ATOM 0 HD2 ARG A 52 -5.151 7.491 -6.371 1.00 41.14 H new ATOM 0 HD3 ARG A 52 -5.496 6.635 -7.860 1.00 41.14 H new ATOM 0 HE ARG A 52 -6.741 9.263 -7.011 1.00 23.13 H new ATOM 0 HH11 ARG A 52 -6.429 6.628 -9.470 1.00 20.42 H new ATOM 0 HH12 ARG A 52 -7.151 7.576 -10.775 1.00 20.42 H new ATOM 0 HH21 ARG A 52 -7.679 10.500 -8.767 1.00 74.44 H new ATOM 0 HH22 ARG A 52 -7.864 9.784 -10.371 1.00 74.44 H new ATOM 742 N ILE A 53 -7.475 3.221 -2.838 1.00 3.20 N ATOM 743 CA ILE A 53 -7.003 2.246 -1.932 1.00 23.54 C ATOM 744 C ILE A 53 -8.276 1.673 -1.397 1.00 4.03 C ATOM 745 O ILE A 53 -9.254 2.404 -1.168 1.00 70.52 O ATOM 746 CB ILE A 53 -6.105 2.793 -0.789 1.00 14.40 C ATOM 747 CG1 ILE A 53 -4.615 2.900 -1.272 1.00 73.15 C ATOM 748 CG2 ILE A 53 -6.212 1.875 0.459 1.00 73.24 C ATOM 749 CD1 ILE A 53 -4.250 4.140 -2.078 1.00 42.13 C ATOM 0 H ILE A 53 -8.202 3.826 -2.456 1.00 3.20 H new ATOM 0 HA ILE A 53 -6.344 1.530 -2.423 1.00 23.54 H new ATOM 0 HB ILE A 53 -6.449 3.790 -0.516 1.00 14.40 H new ATOM 0 HG12 ILE A 53 -3.968 2.860 -0.395 1.00 73.15 H new ATOM 0 HG13 ILE A 53 -4.388 2.021 -1.876 1.00 73.15 H new ATOM 0 HG21 ILE A 53 -5.579 2.267 1.255 1.00 73.24 H new ATOM 0 HG22 ILE A 53 -7.247 1.844 0.801 1.00 73.24 H new ATOM 0 HG23 ILE A 53 -5.886 0.868 0.199 1.00 73.24 H new ATOM 0 HD11 ILE A 53 -3.196 4.098 -2.353 1.00 42.13 H new ATOM 0 HD12 ILE A 53 -4.859 4.179 -2.981 1.00 42.13 H new ATOM 0 HD13 ILE A 53 -4.433 5.031 -1.478 1.00 42.13 H new ATOM 761 N HIS A 54 -8.307 0.348 -1.270 1.00 62.44 N ATOM 762 CA HIS A 54 -9.485 -0.347 -0.850 1.00 71.01 C ATOM 763 C HIS A 54 -9.017 -1.294 0.168 1.00 5.34 C ATOM 764 O HIS A 54 -7.871 -1.720 0.124 1.00 14.13 O ATOM 765 CB HIS A 54 -10.135 -1.169 -1.984 1.00 20.52 C ATOM 766 CG HIS A 54 -10.453 -0.319 -3.179 1.00 3.34 C ATOM 767 ND1 HIS A 54 -9.730 -0.086 -4.291 1.00 12.53 N flip ATOM 768 CD2 HIS A 54 -11.559 0.474 -3.239 1.00 12.21 C flip ATOM 769 CE1 HIS A 54 -10.399 0.844 -5.023 1.00 64.54 C flip ATOM 770 NE2 HIS A 54 -11.517 1.168 -4.374 1.00 14.22 N flip ATOM 0 H HIS A 54 -7.509 -0.258 -1.459 1.00 62.44 H new ATOM 0 HA HIS A 54 -10.231 0.369 -0.505 1.00 71.01 H new ATOM 0 HB2 HIS A 54 -9.463 -1.974 -2.280 1.00 20.52 H new ATOM 0 HB3 HIS A 54 -11.049 -1.635 -1.616 1.00 20.52 H new ATOM 0 HD1 HIS A 54 -8.844 -0.526 -4.538 1.00 12.53 H new ATOM 0 HD2 HIS A 54 -12.338 0.530 -2.493 1.00 12.21 H new ATOM 0 HE1 HIS A 54 -10.079 1.251 -5.970 1.00 64.54 H new ATOM 779 N LYS A 55 -9.884 -1.648 1.128 1.00 1.32 N ATOM 780 CA LYS A 55 -9.536 -2.642 2.117 1.00 31.34 C ATOM 781 C LYS A 55 -9.430 -3.954 1.393 1.00 73.04 C ATOM 782 O LYS A 55 -10.259 -4.261 0.530 1.00 44.51 O ATOM 783 CB LYS A 55 -10.585 -2.769 3.255 1.00 22.45 C ATOM 784 CG LYS A 55 -10.270 -3.866 4.292 1.00 63.45 C ATOM 785 CD LYS A 55 -11.176 -3.831 5.530 1.00 53.21 C ATOM 786 CE LYS A 55 -12.680 -3.999 5.246 1.00 44.24 C ATOM 787 NZ LYS A 55 -12.964 -5.285 4.577 1.00 52.15 N ATOM 0 H LYS A 55 -10.820 -1.256 1.229 1.00 1.32 H new ATOM 0 HA LYS A 55 -8.602 -2.347 2.596 1.00 31.34 H new ATOM 0 HB2 LYS A 55 -10.663 -1.811 3.770 1.00 22.45 H new ATOM 0 HB3 LYS A 55 -11.560 -2.973 2.813 1.00 22.45 H new ATOM 0 HG2 LYS A 55 -10.362 -4.841 3.814 1.00 63.45 H new ATOM 0 HG3 LYS A 55 -9.233 -3.764 4.610 1.00 63.45 H new ATOM 0 HD2 LYS A 55 -10.861 -4.620 6.213 1.00 53.21 H new ATOM 0 HD3 LYS A 55 -11.023 -2.883 6.046 1.00 53.21 H new ATOM 0 HE2 LYS A 55 -13.236 -3.944 6.182 1.00 44.24 H new ATOM 0 HE3 LYS A 55 -13.027 -3.177 4.620 1.00 44.24 H new ATOM 0 HZ1 LYS A 55 -13.989 -5.381 4.431 1.00 52.15 H new ATOM 0 HZ2 LYS A 55 -12.479 -5.312 3.657 1.00 52.15 H new ATOM 0 HZ3 LYS A 55 -12.624 -6.068 5.171 1.00 52.15 H new ATOM 801 N GLY A 56 -8.416 -4.757 1.722 1.00 64.55 N ATOM 802 CA GLY A 56 -8.288 -6.067 1.128 1.00 2.01 C ATOM 803 C GLY A 56 -7.397 -5.986 -0.075 1.00 75.42 C ATOM 804 O GLY A 56 -6.753 -6.969 -0.425 1.00 23.22 O ATOM 0 H GLY A 56 -7.684 -4.517 2.391 1.00 64.55 H new ATOM 0 HA2 GLY A 56 -7.875 -6.768 1.853 1.00 2.01 H new ATOM 0 HA3 GLY A 56 -9.269 -6.446 0.842 1.00 2.01 H new ATOM 808 N ASP A 57 -7.336 -4.798 -0.757 1.00 1.13 N ATOM 809 CA ASP A 57 -6.398 -4.631 -1.873 1.00 12.42 C ATOM 810 C ASP A 57 -5.013 -4.736 -1.306 1.00 13.13 C ATOM 811 O ASP A 57 -4.787 -4.535 -0.098 1.00 34.21 O ATOM 812 CB ASP A 57 -6.499 -3.286 -2.670 1.00 1.23 C ATOM 813 CG ASP A 57 -7.586 -3.368 -3.754 1.00 45.34 C ATOM 814 OD1 ASP A 57 -8.169 -4.469 -4.001 1.00 73.42 O ATOM 815 OD2 ASP A 57 -7.847 -2.327 -4.410 1.00 65.31 O ATOM 0 H ASP A 57 -7.910 -3.981 -0.550 1.00 1.13 H new ATOM 0 HA ASP A 57 -6.650 -5.406 -2.597 1.00 12.42 H new ATOM 0 HB2 ASP A 57 -6.725 -2.469 -1.985 1.00 1.23 H new ATOM 0 HB3 ASP A 57 -5.538 -3.059 -3.131 1.00 1.23 H new ATOM 820 N ARG A 58 -4.083 -5.130 -2.160 1.00 52.35 N ATOM 821 CA ARG A 58 -2.798 -5.554 -1.730 1.00 35.31 C ATOM 822 C ARG A 58 -1.815 -4.596 -2.323 1.00 64.14 C ATOM 823 O ARG A 58 -1.957 -4.187 -3.454 1.00 31.43 O ATOM 824 CB ARG A 58 -2.519 -7.016 -2.216 1.00 42.13 C ATOM 825 CG ARG A 58 -1.091 -7.529 -2.064 1.00 21.42 C ATOM 826 CD ARG A 58 -0.242 -7.269 -3.312 1.00 12.01 C ATOM 827 NE ARG A 58 1.137 -7.767 -3.043 1.00 53.32 N ATOM 828 CZ ARG A 58 1.748 -8.715 -3.849 1.00 23.14 C ATOM 829 NH1 ARG A 58 1.072 -9.326 -4.879 1.00 42.03 N ATOM 830 NH2 ARG A 58 3.033 -9.033 -3.613 1.00 11.41 N ATOM 0 H ARG A 58 -4.217 -5.158 -3.171 1.00 52.35 H new ATOM 0 HA ARG A 58 -2.723 -5.560 -0.643 1.00 35.31 H new ATOM 0 HB2 ARG A 58 -3.181 -7.688 -1.670 1.00 42.13 H new ATOM 0 HB3 ARG A 58 -2.794 -7.083 -3.269 1.00 42.13 H new ATOM 0 HG2 ARG A 58 -0.625 -7.048 -1.204 1.00 21.42 H new ATOM 0 HG3 ARG A 58 -1.112 -8.599 -1.859 1.00 21.42 H new ATOM 0 HD2 ARG A 58 -0.669 -7.778 -4.176 1.00 12.01 H new ATOM 0 HD3 ARG A 58 -0.224 -6.204 -3.546 1.00 12.01 H new ATOM 0 HE ARG A 58 1.647 -7.399 -2.240 1.00 53.32 H new ATOM 0 HH11 ARG A 58 0.098 -9.085 -5.064 1.00 42.03 H new ATOM 0 HH12 ARG A 58 1.544 -10.021 -5.458 1.00 42.03 H new ATOM 0 HH21 ARG A 58 3.539 -8.579 -2.853 1.00 11.41 H new ATOM 0 HH22 ARG A 58 3.501 -9.728 -4.194 1.00 11.41 H new ATOM 844 N VAL A 59 -0.800 -4.203 -1.535 1.00 14.01 N ATOM 845 CA VAL A 59 0.208 -3.290 -1.991 1.00 11.02 C ATOM 846 C VAL A 59 1.331 -4.146 -2.512 1.00 61.44 C ATOM 847 O VAL A 59 1.755 -5.122 -1.862 1.00 21.13 O ATOM 848 CB VAL A 59 0.732 -2.359 -0.892 1.00 4.41 C ATOM 849 CG1 VAL A 59 1.790 -1.399 -1.492 1.00 4.24 C ATOM 850 CG2 VAL A 59 -0.485 -1.609 -0.297 1.00 32.24 C ATOM 0 H VAL A 59 -0.674 -4.519 -0.573 1.00 14.01 H new ATOM 0 HA VAL A 59 -0.216 -2.632 -2.749 1.00 11.02 H new ATOM 0 HB VAL A 59 1.226 -2.910 -0.092 1.00 4.41 H new ATOM 0 HG11 VAL A 59 2.164 -0.736 -0.712 1.00 4.24 H new ATOM 0 HG12 VAL A 59 2.617 -1.979 -1.902 1.00 4.24 H new ATOM 0 HG13 VAL A 59 1.335 -0.806 -2.285 1.00 4.24 H new ATOM 0 HG21 VAL A 59 -0.148 -0.935 0.491 1.00 32.24 H new ATOM 0 HG22 VAL A 59 -0.976 -1.033 -1.081 1.00 32.24 H new ATOM 0 HG23 VAL A 59 -1.189 -2.330 0.119 1.00 32.24 H new ATOM 860 N LEU A 60 1.801 -3.827 -3.722 1.00 24.33 N ATOM 861 CA LEU A 60 2.879 -4.564 -4.334 1.00 61.43 C ATOM 862 C LEU A 60 4.128 -3.865 -3.961 1.00 71.22 C ATOM 863 O LEU A 60 4.996 -4.435 -3.328 1.00 51.00 O ATOM 864 CB LEU A 60 2.812 -4.512 -5.882 1.00 0.23 C ATOM 865 CG LEU A 60 1.736 -5.411 -6.493 1.00 4.20 C ATOM 866 CD1 LEU A 60 1.155 -4.811 -7.756 1.00 31.34 C ATOM 867 CD2 LEU A 60 2.233 -6.839 -6.733 1.00 62.12 C ATOM 0 H LEU A 60 1.442 -3.058 -4.288 1.00 24.33 H new ATOM 0 HA LEU A 60 2.824 -5.602 -4.005 1.00 61.43 H new ATOM 0 HB2 LEU A 60 2.629 -3.483 -6.192 1.00 0.23 H new ATOM 0 HB3 LEU A 60 3.783 -4.799 -6.286 1.00 0.23 H new ATOM 0 HG LEU A 60 0.934 -5.475 -5.757 1.00 4.20 H new ATOM 0 HD11 LEU A 60 0.394 -5.479 -8.160 1.00 31.34 H new ATOM 0 HD12 LEU A 60 0.705 -3.845 -7.526 1.00 31.34 H new ATOM 0 HD13 LEU A 60 1.947 -4.676 -8.492 1.00 31.34 H new ATOM 0 HD21 LEU A 60 1.431 -7.435 -7.168 1.00 62.12 H new ATOM 0 HD22 LEU A 60 3.081 -6.819 -7.417 1.00 62.12 H new ATOM 0 HD23 LEU A 60 2.541 -7.281 -5.786 1.00 62.12 H new ATOM 879 N ALA A 61 4.241 -2.588 -4.350 1.00 52.30 N ATOM 880 CA ALA A 61 5.471 -1.882 -4.157 1.00 22.13 C ATOM 881 C ALA A 61 5.135 -0.589 -3.544 1.00 12.54 C ATOM 882 O ALA A 61 4.076 -0.040 -3.814 1.00 34.41 O ATOM 883 CB ALA A 61 6.184 -1.569 -5.497 1.00 64.00 C ATOM 0 H ALA A 61 3.497 -2.048 -4.791 1.00 52.30 H new ATOM 0 HA ALA A 61 6.130 -2.499 -3.546 1.00 22.13 H new ATOM 0 HB1 ALA A 61 7.112 -1.033 -5.299 1.00 64.00 H new ATOM 0 HB2 ALA A 61 6.407 -2.501 -6.017 1.00 64.00 H new ATOM 0 HB3 ALA A 61 5.535 -0.953 -6.119 1.00 64.00 H new ATOM 889 N VAL A 62 6.066 -0.032 -2.738 1.00 21.45 N ATOM 890 CA VAL A 62 5.931 1.324 -2.285 1.00 73.01 C ATOM 891 C VAL A 62 7.153 1.987 -2.795 1.00 33.02 C ATOM 892 O VAL A 62 8.251 1.490 -2.616 1.00 31.54 O ATOM 893 CB VAL A 62 5.875 1.549 -0.768 1.00 4.54 C ATOM 894 CG1 VAL A 62 5.603 3.040 -0.508 1.00 75.41 C ATOM 895 CG2 VAL A 62 4.802 0.643 -0.159 1.00 40.30 C ATOM 0 H VAL A 62 6.901 -0.513 -2.404 1.00 21.45 H new ATOM 0 HA VAL A 62 4.973 1.704 -2.642 1.00 73.01 H new ATOM 0 HB VAL A 62 6.821 1.289 -0.294 1.00 4.54 H new ATOM 0 HG11 VAL A 62 5.560 3.220 0.566 1.00 75.41 H new ATOM 0 HG12 VAL A 62 6.404 3.637 -0.944 1.00 75.41 H new ATOM 0 HG13 VAL A 62 4.653 3.321 -0.962 1.00 75.41 H new ATOM 0 HG21 VAL A 62 4.761 0.801 0.919 1.00 40.30 H new ATOM 0 HG22 VAL A 62 3.833 0.881 -0.598 1.00 40.30 H new ATOM 0 HG23 VAL A 62 5.047 -0.399 -0.363 1.00 40.30 H new ATOM 905 N ASN A 63 6.957 3.115 -3.470 1.00 12.42 N ATOM 906 CA ASN A 63 8.044 3.947 -3.982 1.00 42.40 C ATOM 907 C ASN A 63 8.875 3.132 -4.965 1.00 22.44 C ATOM 908 O ASN A 63 10.064 3.353 -5.136 1.00 64.12 O ATOM 909 CB ASN A 63 8.966 4.519 -2.850 1.00 20.31 C ATOM 910 CG ASN A 63 9.887 5.585 -3.437 1.00 32.02 C ATOM 911 OD1 ASN A 63 9.423 6.528 -4.073 1.00 64.30 O ATOM 912 ND2 ASN A 63 11.206 5.445 -3.227 1.00 5.51 N ATOM 0 H ASN A 63 6.029 3.483 -3.680 1.00 12.42 H new ATOM 0 HA ASN A 63 7.591 4.806 -4.478 1.00 42.40 H new ATOM 0 HB2 ASN A 63 8.359 4.947 -2.052 1.00 20.31 H new ATOM 0 HB3 ASN A 63 9.556 3.717 -2.406 1.00 20.31 H new ATOM 0 HD21 ASN A 63 11.858 6.135 -3.601 1.00 5.51 H new ATOM 0 HD22 ASN A 63 11.556 4.649 -2.694 1.00 5.51 H new ATOM 919 N GLY A 64 8.231 2.171 -5.656 1.00 13.21 N ATOM 920 CA GLY A 64 8.887 1.456 -6.728 1.00 4.34 C ATOM 921 C GLY A 64 9.589 0.274 -6.172 1.00 41.12 C ATOM 922 O GLY A 64 10.076 -0.564 -6.909 1.00 51.24 O ATOM 0 H GLY A 64 7.267 1.886 -5.481 1.00 13.21 H new ATOM 0 HA2 GLY A 64 8.155 1.142 -7.472 1.00 4.34 H new ATOM 0 HA3 GLY A 64 9.597 2.109 -7.235 1.00 4.34 H new ATOM 926 N VAL A 65 9.676 0.176 -4.847 1.00 22.44 N ATOM 927 CA VAL A 65 10.399 -0.849 -4.238 1.00 45.04 C ATOM 928 C VAL A 65 9.456 -2.003 -4.070 1.00 11.11 C ATOM 929 O VAL A 65 8.421 -1.855 -3.424 1.00 64.11 O ATOM 930 CB VAL A 65 10.869 -0.404 -2.873 1.00 24.01 C ATOM 931 CG1 VAL A 65 11.571 -1.546 -2.198 1.00 11.14 C ATOM 932 CG2 VAL A 65 11.758 0.839 -3.058 1.00 71.31 C ATOM 0 H VAL A 65 9.233 0.825 -4.197 1.00 22.44 H new ATOM 0 HA VAL A 65 11.267 -1.119 -4.839 1.00 45.04 H new ATOM 0 HB VAL A 65 10.039 -0.124 -2.224 1.00 24.01 H new ATOM 0 HG11 VAL A 65 11.913 -1.231 -1.212 1.00 11.14 H new ATOM 0 HG12 VAL A 65 10.883 -2.385 -2.093 1.00 11.14 H new ATOM 0 HG13 VAL A 65 12.428 -1.852 -2.798 1.00 11.14 H new ATOM 0 HG21 VAL A 65 12.111 1.182 -2.085 1.00 71.31 H new ATOM 0 HG22 VAL A 65 12.612 0.585 -3.686 1.00 71.31 H new ATOM 0 HG23 VAL A 65 11.181 1.632 -3.534 1.00 71.31 H new ATOM 942 N SER A 66 9.823 -3.188 -4.657 1.00 25.45 N ATOM 943 CA SER A 66 9.064 -4.423 -4.471 1.00 10.10 C ATOM 944 C SER A 66 8.945 -4.665 -2.986 1.00 24.32 C ATOM 945 O SER A 66 9.942 -4.877 -2.295 1.00 23.31 O ATOM 946 CB SER A 66 9.733 -5.664 -5.102 1.00 21.13 C ATOM 947 OG SER A 66 9.921 -5.481 -6.511 1.00 25.01 O ATOM 0 H SER A 66 10.641 -3.290 -5.257 1.00 25.45 H new ATOM 0 HA SER A 66 8.101 -4.292 -4.965 1.00 10.10 H new ATOM 0 HB2 SER A 66 10.695 -5.847 -4.623 1.00 21.13 H new ATOM 0 HB3 SER A 66 9.116 -6.545 -4.924 1.00 21.13 H new ATOM 0 HG SER A 66 10.347 -6.278 -6.890 1.00 25.01 H new ATOM 953 N LEU A 67 7.719 -4.544 -2.461 1.00 74.31 N ATOM 954 CA LEU A 67 7.522 -4.486 -1.037 1.00 43.25 C ATOM 955 C LEU A 67 7.150 -5.855 -0.608 1.00 53.02 C ATOM 956 O LEU A 67 7.131 -6.173 0.547 1.00 53.51 O ATOM 957 CB LEU A 67 6.383 -3.488 -0.653 1.00 11.41 C ATOM 958 CG LEU A 67 6.511 -2.812 0.734 1.00 35.51 C ATOM 959 CD1 LEU A 67 6.055 -3.699 1.906 1.00 13.20 C ATOM 960 CD2 LEU A 67 7.887 -2.133 0.955 1.00 72.13 C ATOM 0 H LEU A 67 6.862 -4.486 -3.012 1.00 74.31 H new ATOM 0 HA LEU A 67 8.431 -4.136 -0.547 1.00 43.25 H new ATOM 0 HB2 LEU A 67 6.340 -2.708 -1.413 1.00 11.41 H new ATOM 0 HB3 LEU A 67 5.433 -4.021 -0.689 1.00 11.41 H new ATOM 0 HG LEU A 67 5.789 -1.996 0.722 1.00 35.51 H new ATOM 0 HD11 LEU A 67 6.175 -3.155 2.843 1.00 13.20 H new ATOM 0 HD12 LEU A 67 5.007 -3.966 1.774 1.00 13.20 H new ATOM 0 HD13 LEU A 67 6.660 -4.606 1.933 1.00 13.20 H new ATOM 0 HD21 LEU A 67 7.913 -1.678 1.945 1.00 72.13 H new ATOM 0 HD22 LEU A 67 8.678 -2.879 0.878 1.00 72.13 H new ATOM 0 HD23 LEU A 67 8.039 -1.364 0.198 1.00 72.13 H new ATOM 972 N GLU A 68 6.862 -6.724 -1.565 1.00 74.34 N ATOM 973 CA GLU A 68 6.506 -8.072 -1.222 1.00 73.12 C ATOM 974 C GLU A 68 7.694 -8.730 -0.531 1.00 0.30 C ATOM 975 O GLU A 68 8.844 -8.590 -0.968 1.00 74.12 O ATOM 976 CB GLU A 68 6.038 -8.918 -2.416 1.00 42.03 C ATOM 977 CG GLU A 68 7.076 -9.122 -3.525 1.00 21.55 C ATOM 978 CD GLU A 68 6.453 -9.962 -4.625 1.00 21.34 C ATOM 979 OE1 GLU A 68 5.236 -10.270 -4.545 1.00 13.43 O ATOM 980 OE2 GLU A 68 7.179 -10.342 -5.564 1.00 0.44 O ATOM 0 H GLU A 68 6.870 -6.516 -2.564 1.00 74.34 H new ATOM 0 HA GLU A 68 5.647 -8.020 -0.553 1.00 73.12 H new ATOM 0 HB2 GLU A 68 5.728 -9.896 -2.047 1.00 42.03 H new ATOM 0 HB3 GLU A 68 5.156 -8.447 -2.850 1.00 42.03 H new ATOM 0 HG2 GLU A 68 7.400 -8.160 -3.922 1.00 21.55 H new ATOM 0 HG3 GLU A 68 7.962 -9.617 -3.127 1.00 21.55 H new ATOM 987 N GLY A 69 7.431 -9.385 0.614 1.00 51.41 N ATOM 988 CA GLY A 69 8.480 -10.013 1.392 1.00 40.24 C ATOM 989 C GLY A 69 9.029 -9.022 2.378 1.00 73.22 C ATOM 990 O GLY A 69 9.654 -9.416 3.363 1.00 23.53 O ATOM 0 H GLY A 69 6.496 -9.486 1.010 1.00 51.41 H new ATOM 0 HA2 GLY A 69 8.088 -10.885 1.916 1.00 40.24 H new ATOM 0 HA3 GLY A 69 9.274 -10.367 0.734 1.00 40.24 H new ATOM 994 N ALA A 70 8.817 -7.705 2.145 1.00 4.43 N ATOM 995 CA ALA A 70 9.302 -6.693 3.064 1.00 41.10 C ATOM 996 C ALA A 70 8.301 -6.632 4.164 1.00 32.03 C ATOM 997 O ALA A 70 7.160 -7.050 4.001 1.00 31.40 O ATOM 998 CB ALA A 70 9.458 -5.285 2.448 1.00 74.22 C ATOM 0 H ALA A 70 8.318 -7.339 1.334 1.00 4.43 H new ATOM 0 HA ALA A 70 10.304 -6.975 3.388 1.00 41.10 H new ATOM 0 HB1 ALA A 70 9.825 -4.594 3.207 1.00 74.22 H new ATOM 0 HB2 ALA A 70 10.167 -5.326 1.621 1.00 74.22 H new ATOM 0 HB3 ALA A 70 8.492 -4.940 2.080 1.00 74.22 H new ATOM 1004 N THR A 71 8.733 -6.198 5.345 1.00 21.41 N ATOM 1005 CA THR A 71 7.924 -6.377 6.507 1.00 13.43 C ATOM 1006 C THR A 71 6.940 -5.217 6.632 1.00 72.41 C ATOM 1007 O THR A 71 6.929 -4.283 5.819 1.00 34.52 O ATOM 1008 CB THR A 71 8.745 -6.548 7.795 1.00 2.35 C ATOM 1009 OG1 THR A 71 9.292 -5.303 8.268 1.00 43.02 O ATOM 1010 CG2 THR A 71 9.915 -7.510 7.493 1.00 75.12 C ATOM 0 H THR A 71 9.625 -5.730 5.504 1.00 21.41 H new ATOM 0 HA THR A 71 7.374 -7.310 6.380 1.00 13.43 H new ATOM 0 HB THR A 71 8.083 -6.936 8.569 1.00 2.35 H new ATOM 0 HG1 THR A 71 9.804 -5.461 9.089 1.00 43.02 H new ATOM 0 HG21 THR A 71 10.514 -7.648 8.393 1.00 75.12 H new ATOM 0 HG22 THR A 71 9.520 -8.473 7.169 1.00 75.12 H new ATOM 0 HG23 THR A 71 10.538 -7.089 6.704 1.00 75.12 H new ATOM 1018 N HIS A 72 6.097 -5.281 7.684 1.00 13.32 N ATOM 1019 CA HIS A 72 5.114 -4.253 7.961 1.00 24.52 C ATOM 1020 C HIS A 72 5.841 -2.965 8.279 1.00 30.25 C ATOM 1021 O HIS A 72 5.475 -1.917 7.772 1.00 12.42 O ATOM 1022 CB HIS A 72 4.149 -4.596 9.126 1.00 43.04 C ATOM 1023 CG HIS A 72 4.829 -4.964 10.421 1.00 65.20 C ATOM 1024 ND1 HIS A 72 5.399 -6.190 10.626 1.00 44.12 N ATOM 1025 CD2 HIS A 72 5.010 -4.246 11.548 1.00 73.22 C ATOM 1026 CE1 HIS A 72 5.923 -6.215 11.841 1.00 14.30 C ATOM 1027 NE2 HIS A 72 5.700 -5.038 12.420 1.00 62.13 N ATOM 0 H HIS A 72 6.091 -6.050 8.354 1.00 13.32 H new ATOM 0 HA HIS A 72 4.493 -4.161 7.070 1.00 24.52 H new ATOM 0 HB2 HIS A 72 3.498 -3.740 9.304 1.00 43.04 H new ATOM 0 HB3 HIS A 72 3.510 -5.424 8.819 1.00 43.04 H new ATOM 0 HD2 HIS A 72 4.673 -3.236 11.727 1.00 73.22 H new ATOM 0 HE1 HIS A 72 6.444 -7.050 12.287 1.00 14.30 H new ATOM 0 HE2 HIS A 72 5.995 -4.772 13.359 1.00 62.13 H new ATOM 1036 N LYS A 73 6.912 -3.029 9.137 1.00 3.41 N ATOM 1037 CA LYS A 73 7.755 -1.852 9.440 1.00 52.22 C ATOM 1038 C LYS A 73 8.195 -1.187 8.153 1.00 33.42 C ATOM 1039 O LYS A 73 7.949 -0.004 7.945 1.00 41.24 O ATOM 1040 CB LYS A 73 9.048 -2.229 10.216 1.00 4.13 C ATOM 1041 CG LYS A 73 8.799 -3.047 11.493 1.00 71.31 C ATOM 1042 CD LYS A 73 10.097 -3.537 12.158 1.00 1.13 C ATOM 1043 CE LYS A 73 10.938 -2.440 12.829 1.00 73.42 C ATOM 1044 NZ LYS A 73 10.254 -1.901 14.019 1.00 73.44 N ATOM 0 H LYS A 73 7.198 -3.881 9.619 1.00 3.41 H new ATOM 0 HA LYS A 73 7.144 -1.190 10.054 1.00 52.22 H new ATOM 0 HB2 LYS A 73 9.702 -2.798 9.555 1.00 4.13 H new ATOM 0 HB3 LYS A 73 9.579 -1.315 10.481 1.00 4.13 H new ATOM 0 HG2 LYS A 73 8.241 -2.438 12.204 1.00 71.31 H new ATOM 0 HG3 LYS A 73 8.175 -3.907 11.251 1.00 71.31 H new ATOM 0 HD2 LYS A 73 9.843 -4.288 12.906 1.00 1.13 H new ATOM 0 HD3 LYS A 73 10.709 -4.033 11.404 1.00 1.13 H new ATOM 0 HE2 LYS A 73 11.908 -2.845 13.116 1.00 73.42 H new ATOM 0 HE3 LYS A 73 11.126 -1.635 12.118 1.00 73.42 H new ATOM 0 HZ1 LYS A 73 10.878 -1.223 14.501 1.00 73.44 H new ATOM 0 HZ2 LYS A 73 9.379 -1.419 13.728 1.00 73.44 H new ATOM 0 HZ3 LYS A 73 10.021 -2.680 14.668 1.00 73.44 H new ATOM 1058 N GLN A 74 8.852 -1.974 7.265 1.00 44.21 N ATOM 1059 CA GLN A 74 9.391 -1.445 6.007 1.00 63.05 C ATOM 1060 C GLN A 74 8.280 -0.808 5.195 1.00 53.03 C ATOM 1061 O GLN A 74 8.443 0.293 4.664 1.00 23.34 O ATOM 1062 CB GLN A 74 10.066 -2.524 5.139 1.00 33.34 C ATOM 1063 CG GLN A 74 11.216 -3.246 5.863 1.00 11.43 C ATOM 1064 CD GLN A 74 11.862 -4.226 4.893 1.00 24.31 C ATOM 1065 OE1 GLN A 74 11.726 -5.438 5.048 1.00 54.24 O ATOM 1066 NE2 GLN A 74 12.562 -3.705 3.873 1.00 62.00 N ATOM 0 H GLN A 74 9.016 -2.971 7.404 1.00 44.21 H new ATOM 0 HA GLN A 74 10.148 -0.712 6.283 1.00 63.05 H new ATOM 0 HB2 GLN A 74 9.319 -3.257 4.834 1.00 33.34 H new ATOM 0 HB3 GLN A 74 10.450 -2.063 4.229 1.00 33.34 H new ATOM 0 HG2 GLN A 74 11.952 -2.524 6.218 1.00 11.43 H new ATOM 0 HG3 GLN A 74 10.839 -3.774 6.739 1.00 11.43 H new ATOM 0 HE21 GLN A 74 12.651 -2.693 3.780 1.00 62.00 H new ATOM 0 HE22 GLN A 74 13.005 -4.321 3.191 1.00 62.00 H new ATOM 1075 N ALA A 75 7.121 -1.508 5.100 1.00 50.33 N ATOM 1076 CA ALA A 75 5.968 -1.030 4.322 1.00 22.44 C ATOM 1077 C ALA A 75 5.615 0.378 4.698 1.00 75.13 C ATOM 1078 O ALA A 75 5.549 1.264 3.841 1.00 75.01 O ATOM 1079 CB ALA A 75 4.694 -1.867 4.543 1.00 72.12 C ATOM 0 H ALA A 75 6.968 -2.407 5.557 1.00 50.33 H new ATOM 0 HA ALA A 75 6.282 -1.110 3.281 1.00 22.44 H new ATOM 0 HB1 ALA A 75 3.882 -1.460 3.940 1.00 72.12 H new ATOM 0 HB2 ALA A 75 4.882 -2.900 4.250 1.00 72.12 H new ATOM 0 HB3 ALA A 75 4.415 -1.834 5.596 1.00 72.12 H new ATOM 1085 N VAL A 76 5.351 0.608 5.991 1.00 32.21 N ATOM 1086 CA VAL A 76 4.809 1.869 6.408 1.00 62.11 C ATOM 1087 C VAL A 76 5.887 2.926 6.349 1.00 75.12 C ATOM 1088 O VAL A 76 5.612 4.056 5.968 1.00 12.41 O ATOM 1089 CB VAL A 76 4.167 1.837 7.792 1.00 45.34 C ATOM 1090 CG1 VAL A 76 2.915 0.934 7.710 1.00 51.33 C ATOM 1091 CG2 VAL A 76 5.185 1.348 8.844 1.00 52.24 C ATOM 0 H VAL A 76 5.508 -0.064 6.742 1.00 32.21 H new ATOM 0 HA VAL A 76 4.003 2.110 5.715 1.00 62.11 H new ATOM 0 HB VAL A 76 3.861 2.834 8.108 1.00 45.34 H new ATOM 0 HG11 VAL A 76 2.433 0.891 8.687 1.00 51.33 H new ATOM 0 HG12 VAL A 76 2.218 1.344 6.979 1.00 51.33 H new ATOM 0 HG13 VAL A 76 3.210 -0.070 7.406 1.00 51.33 H new ATOM 0 HG21 VAL A 76 4.713 1.330 9.826 1.00 52.24 H new ATOM 0 HG22 VAL A 76 5.522 0.344 8.585 1.00 52.24 H new ATOM 0 HG23 VAL A 76 6.040 2.024 8.864 1.00 52.24 H new ATOM 1101 N CYS A 77 7.161 2.586 6.747 1.00 65.30 N ATOM 1102 CA CYS A 77 8.162 3.695 6.844 1.00 63.54 C ATOM 1103 C CYS A 77 8.397 4.198 5.410 1.00 35.33 C ATOM 1104 O CYS A 77 8.868 5.264 5.192 1.00 74.44 O ATOM 1105 CB CYS A 77 9.525 3.298 7.484 1.00 2.14 C ATOM 1106 SG CYS A 77 10.552 4.771 7.911 1.00 54.42 S ATOM 0 H CYS A 77 7.491 1.650 6.983 1.00 65.30 H new ATOM 0 HA CYS A 77 7.754 4.455 7.510 1.00 63.54 H new ATOM 0 HB2 CYS A 77 9.344 2.710 8.384 1.00 2.14 H new ATOM 0 HB3 CYS A 77 10.077 2.661 6.793 1.00 2.14 H new ATOM 0 HG CYS A 77 11.673 4.380 8.441 1.00 54.42 H new ATOM 1111 N THR A 78 8.242 3.296 4.409 1.00 30.52 N ATOM 1112 CA THR A 78 8.471 3.677 3.026 1.00 22.31 C ATOM 1113 C THR A 78 7.371 4.666 2.626 1.00 12.02 C ATOM 1114 O THR A 78 7.636 5.693 2.014 1.00 22.22 O ATOM 1115 CB THR A 78 8.485 2.481 2.079 1.00 3.31 C ATOM 1116 OG1 THR A 78 9.453 1.521 2.526 1.00 32.41 O ATOM 1117 CG2 THR A 78 8.895 2.955 0.668 1.00 33.43 C ATOM 0 H THR A 78 7.965 2.324 4.546 1.00 30.52 H new ATOM 0 HA THR A 78 9.458 4.133 2.946 1.00 22.31 H new ATOM 0 HB THR A 78 7.492 2.031 2.059 1.00 3.31 H new ATOM 0 HG1 THR A 78 9.227 1.227 3.433 1.00 32.41 H new ATOM 0 HG21 THR A 78 8.907 2.104 -0.013 1.00 33.43 H new ATOM 0 HG22 THR A 78 8.179 3.696 0.311 1.00 33.43 H new ATOM 0 HG23 THR A 78 9.889 3.401 0.708 1.00 33.43 H new ATOM 1125 N LEU A 79 6.108 4.379 3.016 1.00 60.02 N ATOM 1126 CA LEU A 79 4.998 5.271 2.682 1.00 64.03 C ATOM 1127 C LEU A 79 5.186 6.598 3.411 1.00 63.35 C ATOM 1128 O LEU A 79 4.859 7.653 2.885 1.00 74.01 O ATOM 1129 CB LEU A 79 3.601 4.719 3.092 1.00 21.30 C ATOM 1130 CG LEU A 79 3.041 3.645 2.131 1.00 31.43 C ATOM 1131 CD1 LEU A 79 1.843 2.887 2.736 1.00 24.44 C ATOM 1132 CD2 LEU A 79 2.713 4.221 0.721 1.00 34.24 C ATOM 0 H LEU A 79 5.845 3.551 3.551 1.00 60.02 H new ATOM 0 HA LEU A 79 5.015 5.377 1.597 1.00 64.03 H new ATOM 0 HB2 LEU A 79 3.669 4.295 4.094 1.00 21.30 H new ATOM 0 HB3 LEU A 79 2.895 5.548 3.144 1.00 21.30 H new ATOM 0 HG LEU A 79 3.838 2.915 1.992 1.00 31.43 H new ATOM 0 HD11 LEU A 79 1.485 2.144 2.023 1.00 24.44 H new ATOM 0 HD12 LEU A 79 2.154 2.389 3.654 1.00 24.44 H new ATOM 0 HD13 LEU A 79 1.042 3.591 2.959 1.00 24.44 H new ATOM 0 HD21 LEU A 79 2.323 3.426 0.085 1.00 34.24 H new ATOM 0 HD22 LEU A 79 1.967 5.010 0.815 1.00 34.24 H new ATOM 0 HD23 LEU A 79 3.620 4.631 0.275 1.00 34.24 H new ATOM 1144 N ARG A 80 5.695 6.559 4.652 1.00 22.51 N ATOM 1145 CA ARG A 80 5.852 7.776 5.428 1.00 71.22 C ATOM 1146 C ARG A 80 7.071 8.518 4.938 1.00 30.35 C ATOM 1147 O ARG A 80 6.955 9.645 4.477 1.00 23.32 O ATOM 1148 CB ARG A 80 6.036 7.483 6.934 1.00 4.42 C ATOM 1149 CG ARG A 80 4.733 7.020 7.598 1.00 23.24 C ATOM 1150 CD ARG A 80 3.778 8.186 7.929 1.00 72.30 C ATOM 1151 NE ARG A 80 4.360 8.920 9.117 1.00 10.14 N ATOM 1152 CZ ARG A 80 4.399 10.304 9.225 1.00 1.02 C ATOM 1153 NH1 ARG A 80 4.041 11.116 8.194 1.00 4.54 N ATOM 1154 NH2 ARG A 80 4.812 10.868 10.384 1.00 21.43 N ATOM 0 H ARG A 80 5.998 5.707 5.125 1.00 22.51 H new ATOM 0 HA ARG A 80 4.946 8.369 5.300 1.00 71.22 H new ATOM 0 HB2 ARG A 80 6.800 6.716 7.062 1.00 4.42 H new ATOM 0 HB3 ARG A 80 6.398 8.381 7.435 1.00 4.42 H new ATOM 0 HG2 ARG A 80 4.225 6.318 6.938 1.00 23.24 H new ATOM 0 HG3 ARG A 80 4.971 6.481 8.515 1.00 23.24 H new ATOM 0 HD2 ARG A 80 3.678 8.856 7.075 1.00 72.30 H new ATOM 0 HD3 ARG A 80 2.780 7.812 8.159 1.00 72.30 H new ATOM 0 HE ARG A 80 4.746 8.367 9.882 1.00 10.14 H new ATOM 0 HH11 ARG A 80 3.733 10.712 7.310 1.00 4.54 H new ATOM 0 HH12 ARG A 80 4.081 12.129 8.305 1.00 4.54 H new ATOM 0 HH21 ARG A 80 5.091 10.278 11.168 1.00 21.43 H new ATOM 0 HH22 ARG A 80 4.844 11.884 10.474 1.00 21.43 H new ATOM 1168 N ASN A 81 8.272 7.892 5.050 1.00 54.34 N ATOM 1169 CA ASN A 81 9.556 8.550 4.702 1.00 4.32 C ATOM 1170 C ASN A 81 9.718 8.653 3.187 1.00 11.04 C ATOM 1171 O ASN A 81 10.644 8.096 2.588 1.00 33.33 O ATOM 1172 CB ASN A 81 10.802 7.834 5.309 1.00 53.13 C ATOM 1173 CG ASN A 81 12.032 8.746 5.202 1.00 15.41 C ATOM 1174 OD1 ASN A 81 13.045 8.383 4.590 1.00 24.40 O ATOM 1175 ND2 ASN A 81 11.964 9.943 5.820 1.00 21.31 N ATOM 0 H ASN A 81 8.376 6.932 5.379 1.00 54.34 H new ATOM 0 HA ASN A 81 9.509 9.546 5.142 1.00 4.32 H new ATOM 0 HB2 ASN A 81 10.615 7.582 6.353 1.00 53.13 H new ATOM 0 HB3 ASN A 81 10.986 6.897 4.783 1.00 53.13 H new ATOM 0 HD21 ASN A 81 12.762 10.578 5.791 1.00 21.31 H new ATOM 0 HD22 ASN A 81 11.115 10.213 6.316 1.00 21.31 H new ATOM 1182 N THR A 82 8.808 9.388 2.589 1.00 50.54 N ATOM 1183 CA THR A 82 8.869 9.749 1.206 1.00 32.45 C ATOM 1184 C THR A 82 8.528 11.222 1.136 1.00 64.33 C ATOM 1185 O THR A 82 8.359 11.890 2.171 1.00 34.03 O ATOM 1186 CB THR A 82 7.916 8.939 0.335 1.00 73.31 C ATOM 1187 OG1 THR A 82 6.775 8.534 1.089 1.00 64.32 O ATOM 1188 CG2 THR A 82 8.655 7.697 -0.196 1.00 4.33 C ATOM 0 H THR A 82 7.988 9.756 3.070 1.00 50.54 H new ATOM 0 HA THR A 82 9.865 9.538 0.817 1.00 32.45 H new ATOM 0 HB THR A 82 7.579 9.556 -0.498 1.00 73.31 H new ATOM 0 HG1 THR A 82 6.914 7.626 1.430 1.00 64.32 H new ATOM 0 HG21 THR A 82 7.980 7.111 -0.820 1.00 4.33 H new ATOM 0 HG22 THR A 82 9.516 8.011 -0.787 1.00 4.33 H new ATOM 0 HG23 THR A 82 8.993 7.088 0.643 1.00 4.33 H new ATOM 1196 N GLY A 83 8.459 11.757 -0.088 1.00 60.23 N ATOM 1197 CA GLY A 83 8.226 13.151 -0.309 1.00 1.12 C ATOM 1198 C GLY A 83 6.752 13.376 -0.280 1.00 34.35 C ATOM 1199 O GLY A 83 6.044 12.844 0.575 1.00 32.45 O ATOM 0 H GLY A 83 8.567 11.215 -0.945 1.00 60.23 H new ATOM 0 HA2 GLY A 83 8.719 13.747 0.459 1.00 1.12 H new ATOM 0 HA3 GLY A 83 8.641 13.461 -1.268 1.00 1.12 H new ATOM 1203 N GLN A 84 6.267 14.209 -1.205 1.00 72.22 N ATOM 1204 CA GLN A 84 4.884 14.581 -1.196 1.00 1.25 C ATOM 1205 C GLN A 84 4.060 13.417 -1.710 1.00 53.40 C ATOM 1206 O GLN A 84 3.143 12.942 -1.022 1.00 71.34 O ATOM 1207 CB GLN A 84 4.608 15.796 -2.104 1.00 25.31 C ATOM 1208 CG GLN A 84 3.163 16.275 -2.046 1.00 34.31 C ATOM 1209 CD GLN A 84 2.996 17.380 -3.068 1.00 22.21 C ATOM 1210 OE1 GLN A 84 2.382 17.177 -4.115 1.00 12.05 O ATOM 1211 NE2 GLN A 84 3.550 18.559 -2.781 1.00 34.21 N ATOM 0 H GLN A 84 6.819 14.625 -1.955 1.00 72.22 H new ATOM 0 HA GLN A 84 4.618 14.843 -0.172 1.00 1.25 H new ATOM 0 HB2 GLN A 84 5.267 16.615 -1.814 1.00 25.31 H new ATOM 0 HB3 GLN A 84 4.856 15.536 -3.133 1.00 25.31 H new ATOM 0 HG2 GLN A 84 2.480 15.453 -2.259 1.00 34.31 H new ATOM 0 HG3 GLN A 84 2.922 16.640 -1.047 1.00 34.31 H new ATOM 0 HE21 GLN A 84 4.051 18.687 -1.902 1.00 34.21 H new ATOM 0 HE22 GLN A 84 3.473 19.333 -3.441 1.00 34.21 H new ATOM 1220 N VAL A 85 4.363 12.929 -2.921 1.00 71.25 N ATOM 1221 CA VAL A 85 3.578 11.888 -3.526 1.00 54.21 C ATOM 1222 C VAL A 85 4.455 10.675 -3.650 1.00 41.51 C ATOM 1223 O VAL A 85 5.676 10.784 -3.762 1.00 14.42 O ATOM 1224 CB VAL A 85 3.083 12.333 -4.904 1.00 52.03 C ATOM 1225 CG1 VAL A 85 2.401 11.187 -5.655 1.00 34.42 C ATOM 1226 CG2 VAL A 85 2.139 13.528 -4.677 1.00 70.30 C ATOM 0 H VAL A 85 5.149 13.250 -3.486 1.00 71.25 H new ATOM 0 HA VAL A 85 2.703 11.663 -2.916 1.00 54.21 H new ATOM 0 HB VAL A 85 3.918 12.632 -5.537 1.00 52.03 H new ATOM 0 HG11 VAL A 85 2.063 11.541 -6.629 1.00 34.42 H new ATOM 0 HG12 VAL A 85 3.109 10.369 -5.792 1.00 34.42 H new ATOM 0 HG13 VAL A 85 1.545 10.834 -5.080 1.00 34.42 H new ATOM 0 HG21 VAL A 85 1.760 13.880 -5.637 1.00 70.30 H new ATOM 0 HG22 VAL A 85 1.304 13.218 -4.049 1.00 70.30 H new ATOM 0 HG23 VAL A 85 2.684 14.333 -4.184 1.00 70.30 H new ATOM 1236 N VAL A 86 3.832 9.478 -3.601 1.00 40.22 N ATOM 1237 CA VAL A 86 4.546 8.241 -3.705 1.00 20.53 C ATOM 1238 C VAL A 86 3.897 7.513 -4.839 1.00 53.15 C ATOM 1239 O VAL A 86 2.708 7.708 -5.110 1.00 63.41 O ATOM 1240 CB VAL A 86 4.400 7.369 -2.457 1.00 65.43 C ATOM 1241 CG1 VAL A 86 5.385 6.175 -2.513 1.00 53.34 C ATOM 1242 CG2 VAL A 86 4.635 8.245 -1.241 1.00 41.23 C ATOM 0 H VAL A 86 2.824 9.370 -3.488 1.00 40.22 H new ATOM 0 HA VAL A 86 5.609 8.441 -3.840 1.00 20.53 H new ATOM 0 HB VAL A 86 3.398 6.943 -2.400 1.00 65.43 H new ATOM 0 HG11 VAL A 86 5.268 5.565 -1.618 1.00 53.34 H new ATOM 0 HG12 VAL A 86 5.174 5.570 -3.395 1.00 53.34 H new ATOM 0 HG13 VAL A 86 6.407 6.549 -2.566 1.00 53.34 H new ATOM 0 HG21 VAL A 86 4.536 7.645 -0.336 1.00 41.23 H new ATOM 0 HG22 VAL A 86 5.638 8.670 -1.287 1.00 41.23 H new ATOM 0 HG23 VAL A 86 3.900 9.050 -1.225 1.00 41.23 H new ATOM 1252 N HIS A 87 4.657 6.647 -5.505 1.00 73.12 N ATOM 1253 CA HIS A 87 4.106 5.758 -6.490 1.00 61.43 C ATOM 1254 C HIS A 87 4.025 4.447 -5.794 1.00 21.14 C ATOM 1255 O HIS A 87 5.038 3.911 -5.358 1.00 1.35 O ATOM 1256 CB HIS A 87 4.995 5.586 -7.740 1.00 31.12 C ATOM 1257 CG HIS A 87 5.100 6.851 -8.550 1.00 23.23 C ATOM 1258 ND1 HIS A 87 4.120 7.256 -9.417 1.00 12.14 N ATOM 1259 CD2 HIS A 87 6.056 7.801 -8.557 1.00 5.43 C ATOM 1260 CE1 HIS A 87 4.485 8.427 -9.936 1.00 15.23 C ATOM 1261 NE2 HIS A 87 5.656 8.769 -9.425 1.00 53.11 N ATOM 0 H HIS A 87 5.663 6.552 -5.369 1.00 73.12 H new ATOM 0 HA HIS A 87 3.156 6.151 -6.851 1.00 61.43 H new ATOM 0 HB2 HIS A 87 5.992 5.271 -7.432 1.00 31.12 H new ATOM 0 HB3 HIS A 87 4.588 4.791 -8.365 1.00 31.12 H new ATOM 0 HD2 HIS A 87 6.969 7.795 -7.981 1.00 5.43 H new ATOM 0 HE1 HIS A 87 3.919 9.002 -10.654 1.00 15.23 H new ATOM 0 HE2 HIS A 87 6.174 9.619 -9.646 1.00 53.11 H new ATOM 1270 N LEU A 88 2.821 3.935 -5.618 1.00 51.21 N ATOM 1271 CA LEU A 88 2.649 2.718 -4.893 1.00 31.00 C ATOM 1272 C LEU A 88 1.698 1.875 -5.656 1.00 33.44 C ATOM 1273 O LEU A 88 0.592 2.270 -5.949 1.00 25.51 O ATOM 1274 CB LEU A 88 2.274 2.871 -3.375 1.00 31.11 C ATOM 1275 CG LEU A 88 1.066 3.790 -2.981 1.00 64.13 C ATOM 1276 CD1 LEU A 88 1.091 5.226 -3.551 1.00 52.54 C ATOM 1277 CD2 LEU A 88 -0.283 3.116 -3.119 1.00 63.43 C ATOM 0 H LEU A 88 1.959 4.351 -5.971 1.00 51.21 H new ATOM 0 HA LEU A 88 3.621 2.230 -4.821 1.00 31.00 H new ATOM 0 HB2 LEU A 88 2.071 1.874 -2.984 1.00 31.11 H new ATOM 0 HB3 LEU A 88 3.156 3.244 -2.854 1.00 31.11 H new ATOM 0 HG LEU A 88 1.223 3.943 -1.913 1.00 64.13 H new ATOM 0 HD11 LEU A 88 0.208 5.767 -3.212 1.00 52.54 H new ATOM 0 HD12 LEU A 88 1.987 5.740 -3.203 1.00 52.54 H new ATOM 0 HD13 LEU A 88 1.096 5.185 -4.640 1.00 52.54 H new ATOM 0 HD21 LEU A 88 -1.069 3.813 -2.829 1.00 63.43 H new ATOM 0 HD22 LEU A 88 -0.433 2.810 -4.154 1.00 63.43 H new ATOM 0 HD23 LEU A 88 -0.319 2.239 -2.473 1.00 63.43 H new ATOM 1289 N LEU A 89 2.186 0.710 -6.129 1.00 21.14 N ATOM 1290 CA LEU A 89 1.393 -0.155 -6.953 1.00 12.53 C ATOM 1291 C LEU A 89 0.516 -0.958 -6.077 1.00 31.12 C ATOM 1292 O LEU A 89 0.925 -1.417 -5.001 1.00 62.50 O ATOM 1293 CB LEU A 89 2.248 -1.153 -7.774 1.00 62.13 C ATOM 1294 CG LEU A 89 2.793 -0.585 -9.096 1.00 41.23 C ATOM 1295 CD1 LEU A 89 3.470 0.789 -8.951 1.00 3.42 C ATOM 1296 CD2 LEU A 89 3.663 -1.597 -9.856 1.00 11.53 C ATOM 0 H LEU A 89 3.128 0.368 -5.941 1.00 21.14 H new ATOM 0 HA LEU A 89 0.839 0.479 -7.645 1.00 12.53 H new ATOM 0 HB2 LEU A 89 3.087 -1.484 -7.161 1.00 62.13 H new ATOM 0 HB3 LEU A 89 1.646 -2.035 -7.992 1.00 62.13 H new ATOM 0 HG LEU A 89 1.914 -0.403 -9.714 1.00 41.23 H new ATOM 0 HD11 LEU A 89 3.828 1.123 -9.925 1.00 3.42 H new ATOM 0 HD12 LEU A 89 2.751 1.510 -8.562 1.00 3.42 H new ATOM 0 HD13 LEU A 89 4.312 0.709 -8.263 1.00 3.42 H new ATOM 0 HD21 LEU A 89 4.022 -1.146 -10.781 1.00 11.53 H new ATOM 0 HD22 LEU A 89 4.514 -1.882 -9.237 1.00 11.53 H new ATOM 0 HD23 LEU A 89 3.071 -2.482 -10.090 1.00 11.53 H new ATOM 1308 N LEU A 90 -0.702 -1.161 -6.551 1.00 21.22 N ATOM 1309 CA LEU A 90 -1.661 -1.949 -5.845 1.00 71.35 C ATOM 1310 C LEU A 90 -1.915 -3.122 -6.714 1.00 75.01 C ATOM 1311 O LEU A 90 -1.771 -3.040 -7.932 1.00 34.12 O ATOM 1312 CB LEU A 90 -3.050 -1.283 -5.626 1.00 54.14 C ATOM 1313 CG LEU A 90 -3.070 0.246 -5.381 1.00 54.22 C ATOM 1314 CD1 LEU A 90 -2.225 0.720 -4.211 1.00 61.55 C ATOM 1315 CD2 LEU A 90 -2.807 1.064 -6.645 1.00 21.41 C ATOM 0 H LEU A 90 -1.040 -0.779 -7.435 1.00 21.22 H new ATOM 0 HA LEU A 90 -1.248 -2.147 -4.856 1.00 71.35 H new ATOM 0 HB2 LEU A 90 -3.667 -1.493 -6.499 1.00 54.14 H new ATOM 0 HB3 LEU A 90 -3.527 -1.768 -4.774 1.00 54.14 H new ATOM 0 HG LEU A 90 -4.100 0.441 -5.082 1.00 54.22 H new ATOM 0 HD11 LEU A 90 -2.304 1.803 -4.121 1.00 61.55 H new ATOM 0 HD12 LEU A 90 -2.580 0.252 -3.293 1.00 61.55 H new ATOM 0 HD13 LEU A 90 -1.184 0.445 -4.379 1.00 61.55 H new ATOM 0 HD21 LEU A 90 -2.835 2.126 -6.403 1.00 21.41 H new ATOM 0 HD22 LEU A 90 -1.826 0.809 -7.046 1.00 21.41 H new ATOM 0 HD23 LEU A 90 -3.572 0.841 -7.389 1.00 21.41 H new ATOM 1327 N GLU A 91 -2.337 -4.220 -6.123 1.00 2.13 N ATOM 1328 CA GLU A 91 -2.793 -5.344 -6.852 1.00 41.10 C ATOM 1329 C GLU A 91 -4.173 -5.527 -6.304 1.00 34.42 C ATOM 1330 O GLU A 91 -4.356 -5.445 -5.084 1.00 24.00 O ATOM 1331 CB GLU A 91 -1.983 -6.621 -6.527 1.00 73.21 C ATOM 1332 CG GLU A 91 -2.348 -7.841 -7.377 1.00 33.22 C ATOM 1333 CD GLU A 91 -1.447 -8.979 -6.951 1.00 34.54 C ATOM 1334 OE1 GLU A 91 -1.476 -9.331 -5.743 1.00 12.45 O ATOM 1335 OE2 GLU A 91 -0.689 -9.510 -7.802 1.00 32.41 O ATOM 0 H GLU A 91 -2.366 -4.341 -5.111 1.00 2.13 H new ATOM 0 HA GLU A 91 -2.718 -5.192 -7.929 1.00 41.10 H new ATOM 0 HB2 GLU A 91 -0.923 -6.406 -6.660 1.00 73.21 H new ATOM 0 HB3 GLU A 91 -2.129 -6.870 -5.476 1.00 73.21 H new ATOM 0 HG2 GLU A 91 -3.395 -8.108 -7.235 1.00 33.22 H new ATOM 0 HG3 GLU A 91 -2.215 -7.623 -8.437 1.00 33.22 H new ATOM 1342 N LYS A 92 -5.195 -5.717 -7.171 1.00 12.30 N ATOM 1343 CA LYS A 92 -6.562 -5.884 -6.678 1.00 44.21 C ATOM 1344 C LYS A 92 -6.604 -7.083 -5.771 1.00 21.30 C ATOM 1345 O LYS A 92 -5.974 -8.104 -6.057 1.00 44.52 O ATOM 1346 CB LYS A 92 -7.652 -6.103 -7.770 1.00 74.04 C ATOM 1347 CG LYS A 92 -7.594 -5.149 -8.966 1.00 51.43 C ATOM 1348 CD LYS A 92 -7.472 -3.649 -8.640 1.00 43.02 C ATOM 1349 CE LYS A 92 -8.705 -3.004 -7.981 1.00 64.12 C ATOM 1350 NZ LYS A 92 -8.845 -3.413 -6.573 1.00 51.23 N ATOM 0 H LYS A 92 -5.094 -5.756 -8.185 1.00 12.30 H new ATOM 0 HA LYS A 92 -6.799 -4.943 -6.181 1.00 44.21 H new ATOM 0 HB2 LYS A 92 -7.570 -7.125 -8.140 1.00 74.04 H new ATOM 0 HB3 LYS A 92 -8.632 -6.011 -7.302 1.00 74.04 H new ATOM 0 HG2 LYS A 92 -6.746 -5.433 -9.589 1.00 51.43 H new ATOM 0 HG3 LYS A 92 -8.493 -5.297 -9.565 1.00 51.43 H new ATOM 0 HD2 LYS A 92 -6.616 -3.508 -7.980 1.00 43.02 H new ATOM 0 HD3 LYS A 92 -7.255 -3.112 -9.563 1.00 43.02 H new ATOM 0 HE2 LYS A 92 -8.623 -1.919 -8.038 1.00 64.12 H new ATOM 0 HE3 LYS A 92 -9.602 -3.285 -8.533 1.00 64.12 H new ATOM 0 HZ1 LYS A 92 -9.713 -3.000 -6.176 1.00 51.23 H new ATOM 0 HZ2 LYS A 92 -8.897 -4.450 -6.516 1.00 51.23 H new ATOM 0 HZ3 LYS A 92 -8.023 -3.078 -6.031 1.00 51.23 H new ATOM 1364 N GLY A 93 -7.347 -6.966 -4.668 1.00 54.21 N ATOM 1365 CA GLY A 93 -7.425 -8.040 -3.712 1.00 32.35 C ATOM 1366 C GLY A 93 -8.845 -8.153 -3.255 1.00 52.12 C ATOM 1367 O GLY A 93 -9.202 -9.130 -2.601 1.00 4.14 O ATOM 0 H GLY A 93 -7.894 -6.139 -4.428 1.00 54.21 H new ATOM 0 HA2 GLY A 93 -7.095 -8.976 -4.163 1.00 32.35 H new ATOM 0 HA3 GLY A 93 -6.767 -7.844 -2.865 1.00 32.35 H new