USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 634 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 80 GLN : amide:sc= 1.48 K(o=2.7,f=-0.96) USER MOD Set 1.2: A 102 THR OG1 : rot 119:sc= 1.21 USER MOD Set 2.1: A 30 THR OG1 : rot -168:sc= 1.56 USER MOD Set 2.2: A 63 TYR OH : rot 150:sc= 1.18 USER MOD Single : A 29 GLN : amide:sc= 0.611 K(o=0.61,f=-0.45) USER MOD Single : A 37 THR OG1 : rot 61:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0.263 X(o=0.26,f=-0.23) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 120:sc= 0.663 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0924 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.13) USER MOD Single : A 69 SER OG : rot -170:sc= 1.29 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=1.03e-05 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.16) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 83 MET CE :methyl 169:sc= -0.0214 (180deg=-0.252) USER MOD Single : A 85 ASN : amide:sc= 0.285 X(o=0.29,f=-0.15) USER MOD Single : A 86 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.39) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -173:sc= -0.627 (180deg=-0.822) USER MOD Single : A 96 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.56) USER MOD Single : A 103 SER OG : rot 128:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 14.802 2.789 5.080 1.00 0.72 N ATOM 28 CA GLN A 29 14.414 1.864 4.004 1.00 0.57 C ATOM 29 C GLN A 29 14.746 0.388 4.283 1.00 0.54 C ATOM 30 O GLN A 29 15.684 0.065 5.019 1.00 0.78 O ATOM 31 CB GLN A 29 15.066 2.309 2.687 1.00 0.70 C ATOM 32 CG GLN A 29 14.090 3.160 1.867 1.00 0.82 C ATOM 33 CD GLN A 29 14.012 4.637 2.248 1.00 1.75 C ATOM 34 OE1 GLN A 29 14.962 5.268 2.701 1.00 2.48 O ATOM 35 NE2 GLN A 29 12.882 5.258 2.026 1.00 2.18 N ATOM 0 HA GLN A 29 13.327 1.913 3.938 1.00 0.57 H new ATOM 0 HB2 GLN A 29 15.970 2.881 2.897 1.00 0.70 H new ATOM 0 HB3 GLN A 29 15.369 1.435 2.111 1.00 0.70 H new ATOM 0 HG2 GLN A 29 14.371 3.090 0.816 1.00 0.82 H new ATOM 0 HG3 GLN A 29 13.094 2.727 1.960 1.00 0.82 H new ATOM 0 HE21 GLN A 29 12.084 4.746 1.650 1.00 2.18 H new ATOM 0 HE22 GLN A 29 12.799 6.254 2.229 1.00 2.18 H new ATOM 44 N THR A 30 14.031 -0.504 3.591 1.00 0.39 N ATOM 45 CA THR A 30 14.420 -1.898 3.300 1.00 0.37 C ATOM 46 C THR A 30 14.471 -2.131 1.781 1.00 0.39 C ATOM 47 O THR A 30 14.164 -1.230 0.996 1.00 0.48 O ATOM 48 CB THR A 30 13.447 -2.920 3.910 1.00 0.41 C ATOM 49 OG1 THR A 30 12.166 -2.679 3.393 1.00 0.46 O ATOM 50 CG2 THR A 30 13.397 -2.894 5.432 1.00 0.53 C ATOM 0 H THR A 30 13.120 -0.268 3.197 1.00 0.39 H new ATOM 0 HA THR A 30 15.403 -2.044 3.748 1.00 0.37 H new ATOM 0 HB THR A 30 13.811 -3.911 3.639 1.00 0.41 H new ATOM 0 HG1 THR A 30 11.506 -3.194 3.902 1.00 0.46 H new ATOM 0 HG21 THR A 30 12.688 -3.643 5.786 1.00 0.53 H new ATOM 0 HG22 THR A 30 14.387 -3.113 5.832 1.00 0.53 H new ATOM 0 HG23 THR A 30 13.080 -1.907 5.769 1.00 0.53 H new ATOM 58 N GLU A 31 14.817 -3.340 1.336 1.00 0.45 N ATOM 59 CA GLU A 31 14.600 -3.791 -0.051 1.00 0.50 C ATOM 60 C GLU A 31 13.107 -3.996 -0.374 1.00 0.39 C ATOM 61 O GLU A 31 12.679 -3.734 -1.503 1.00 0.37 O ATOM 62 CB GLU A 31 15.379 -5.097 -0.282 1.00 0.69 C ATOM 63 CG GLU A 31 16.824 -4.875 -0.748 1.00 0.89 C ATOM 64 CD GLU A 31 17.622 -3.927 0.151 1.00 2.35 C ATOM 65 OE1 GLU A 31 18.244 -4.379 1.144 1.00 3.38 O ATOM 66 OE2 GLU A 31 17.659 -2.708 -0.142 1.00 3.68 O ATOM 0 H GLU A 31 15.259 -4.043 1.928 1.00 0.45 H new ATOM 0 HA GLU A 31 14.963 -3.011 -0.721 1.00 0.50 H new ATOM 0 HB2 GLU A 31 15.389 -5.673 0.643 1.00 0.69 H new ATOM 0 HB3 GLU A 31 14.854 -5.697 -1.026 1.00 0.69 H new ATOM 0 HG2 GLU A 31 17.335 -5.837 -0.790 1.00 0.89 H new ATOM 0 HG3 GLU A 31 16.812 -4.476 -1.762 1.00 0.89 H new ATOM 73 N GLY A 32 12.310 -4.413 0.617 1.00 0.36 N ATOM 74 CA GLY A 32 10.860 -4.561 0.525 1.00 0.31 C ATOM 75 C GLY A 32 10.142 -3.239 0.266 1.00 0.25 C ATOM 76 O GLY A 32 9.226 -3.196 -0.549 1.00 0.24 O ATOM 0 H GLY A 32 12.674 -4.665 1.536 1.00 0.36 H new ATOM 0 HA2 GLY A 32 10.622 -5.261 -0.276 1.00 0.31 H new ATOM 0 HA3 GLY A 32 10.485 -4.997 1.451 1.00 0.31 H new ATOM 80 N GLU A 33 10.597 -2.141 0.875 1.00 0.25 N ATOM 81 CA GLU A 33 10.059 -0.792 0.682 1.00 0.24 C ATOM 82 C GLU A 33 9.971 -0.403 -0.807 1.00 0.23 C ATOM 83 O GLU A 33 8.927 0.049 -1.286 1.00 0.24 O ATOM 84 CB GLU A 33 10.965 0.176 1.477 1.00 0.27 C ATOM 85 CG GLU A 33 10.211 1.272 2.228 1.00 0.34 C ATOM 86 CD GLU A 33 10.326 2.663 1.593 1.00 0.49 C ATOM 87 OE1 GLU A 33 10.620 3.627 2.336 1.00 1.49 O ATOM 88 OE2 GLU A 33 10.179 2.826 0.362 1.00 1.07 O ATOM 0 H GLU A 33 11.373 -2.167 1.536 1.00 0.25 H new ATOM 0 HA GLU A 33 9.033 -0.744 1.048 1.00 0.24 H new ATOM 0 HB2 GLU A 33 11.552 -0.400 2.192 1.00 0.27 H new ATOM 0 HB3 GLU A 33 11.670 0.643 0.789 1.00 0.27 H new ATOM 0 HG2 GLU A 33 9.158 0.998 2.287 1.00 0.34 H new ATOM 0 HG3 GLU A 33 10.585 1.320 3.251 1.00 0.34 H new ATOM 95 N LEU A 34 11.039 -0.674 -1.567 1.00 0.24 N ATOM 96 CA LEU A 34 11.159 -0.356 -2.990 1.00 0.24 C ATOM 97 C LEU A 34 10.258 -1.251 -3.842 1.00 0.24 C ATOM 98 O LEU A 34 9.477 -0.760 -4.656 1.00 0.27 O ATOM 99 CB LEU A 34 12.616 -0.557 -3.440 1.00 0.28 C ATOM 100 CG LEU A 34 13.707 -0.049 -2.492 1.00 0.31 C ATOM 101 CD1 LEU A 34 15.075 -0.246 -3.141 1.00 0.38 C ATOM 102 CD2 LEU A 34 13.530 1.427 -2.131 1.00 0.33 C ATOM 0 H LEU A 34 11.869 -1.135 -1.194 1.00 0.24 H new ATOM 0 HA LEU A 34 10.852 0.681 -3.127 1.00 0.24 H new ATOM 0 HB2 LEU A 34 12.777 -1.622 -3.604 1.00 0.28 H new ATOM 0 HB3 LEU A 34 12.746 -0.063 -4.403 1.00 0.28 H new ATOM 0 HG LEU A 34 13.629 -0.625 -1.570 1.00 0.31 H new ATOM 0 HD11 LEU A 34 15.852 0.115 -2.468 1.00 0.38 H new ATOM 0 HD12 LEU A 34 15.233 -1.305 -3.343 1.00 0.38 H new ATOM 0 HD13 LEU A 34 15.118 0.312 -4.077 1.00 0.38 H new ATOM 0 HD21 LEU A 34 14.330 1.735 -1.457 1.00 0.33 H new ATOM 0 HD22 LEU A 34 13.567 2.030 -3.038 1.00 0.33 H new ATOM 0 HD23 LEU A 34 12.567 1.569 -1.640 1.00 0.33 H new ATOM 114 N ARG A 35 10.353 -2.563 -3.601 1.00 0.25 N ATOM 115 CA ARG A 35 9.590 -3.644 -4.239 1.00 0.28 C ATOM 116 C ARG A 35 8.093 -3.396 -4.124 1.00 0.25 C ATOM 117 O ARG A 35 7.374 -3.423 -5.118 1.00 0.29 O ATOM 118 CB ARG A 35 9.983 -4.946 -3.535 1.00 0.32 C ATOM 119 CG ARG A 35 9.174 -6.154 -4.030 1.00 0.36 C ATOM 120 CD ARG A 35 10.101 -7.194 -4.666 1.00 0.54 C ATOM 121 NE ARG A 35 10.962 -7.842 -3.655 1.00 1.36 N ATOM 122 CZ ARG A 35 10.589 -8.671 -2.700 1.00 2.38 C ATOM 123 NH1 ARG A 35 9.422 -9.237 -2.653 1.00 3.99 N ATOM 124 NH2 ARG A 35 11.402 -8.952 -1.733 1.00 3.06 N ATOM 0 H ARG A 35 11.009 -2.923 -2.908 1.00 0.25 H new ATOM 0 HA ARG A 35 9.818 -3.697 -5.304 1.00 0.28 H new ATOM 0 HB2 ARG A 35 11.045 -5.135 -3.695 1.00 0.32 H new ATOM 0 HB3 ARG A 35 9.838 -4.832 -2.461 1.00 0.32 H new ATOM 0 HG2 ARG A 35 8.632 -6.602 -3.197 1.00 0.36 H new ATOM 0 HG3 ARG A 35 8.430 -5.828 -4.757 1.00 0.36 H new ATOM 0 HD2 ARG A 35 9.505 -7.950 -5.177 1.00 0.54 H new ATOM 0 HD3 ARG A 35 10.723 -6.715 -5.422 1.00 0.54 H new ATOM 0 HE ARG A 35 11.957 -7.623 -3.701 1.00 1.36 H new ATOM 0 HH11 ARG A 35 8.734 -9.049 -3.382 1.00 3.99 H new ATOM 0 HH12 ARG A 35 9.193 -9.870 -1.887 1.00 3.99 H new ATOM 0 HH21 ARG A 35 12.331 -8.532 -1.710 1.00 3.06 H new ATOM 0 HH22 ARG A 35 11.113 -9.593 -0.994 1.00 3.06 H new ATOM 138 N VAL A 36 7.638 -3.118 -2.906 1.00 0.21 N ATOM 139 CA VAL A 36 6.234 -2.832 -2.628 1.00 0.21 C ATOM 140 C VAL A 36 5.851 -1.550 -3.363 1.00 0.22 C ATOM 141 O VAL A 36 4.842 -1.542 -4.068 1.00 0.25 O ATOM 142 CB VAL A 36 5.994 -2.699 -1.109 1.00 0.21 C ATOM 143 CG1 VAL A 36 4.626 -2.084 -0.784 1.00 0.24 C ATOM 144 CG2 VAL A 36 6.084 -4.073 -0.431 1.00 0.21 C ATOM 0 H VAL A 36 8.236 -3.085 -2.080 1.00 0.21 H new ATOM 0 HA VAL A 36 5.609 -3.653 -2.979 1.00 0.21 H new ATOM 0 HB VAL A 36 6.770 -2.034 -0.730 1.00 0.21 H new ATOM 0 HG11 VAL A 36 4.507 -2.012 0.297 1.00 0.24 H new ATOM 0 HG12 VAL A 36 4.561 -1.088 -1.223 1.00 0.24 H new ATOM 0 HG13 VAL A 36 3.837 -2.714 -1.195 1.00 0.24 H new ATOM 0 HG21 VAL A 36 5.913 -3.962 0.640 1.00 0.21 H new ATOM 0 HG22 VAL A 36 5.329 -4.737 -0.853 1.00 0.21 H new ATOM 0 HG23 VAL A 36 7.074 -4.497 -0.598 1.00 0.21 H new ATOM 154 N THR A 37 6.689 -0.502 -3.289 1.00 0.22 N ATOM 155 CA THR A 37 6.435 0.754 -4.013 1.00 0.25 C ATOM 156 C THR A 37 6.256 0.530 -5.517 1.00 0.25 C ATOM 157 O THR A 37 5.403 1.166 -6.125 1.00 0.33 O ATOM 158 CB THR A 37 7.534 1.808 -3.778 1.00 0.27 C ATOM 159 OG1 THR A 37 7.791 2.127 -2.427 1.00 0.35 O ATOM 160 CG2 THR A 37 7.262 3.156 -4.437 1.00 0.35 C ATOM 0 H THR A 37 7.546 -0.500 -2.736 1.00 0.22 H new ATOM 0 HA THR A 37 5.501 1.137 -3.603 1.00 0.25 H new ATOM 0 HB THR A 37 8.386 1.296 -4.225 1.00 0.27 H new ATOM 0 HG1 THR A 37 8.094 1.324 -1.953 1.00 0.35 H new ATOM 0 HG21 THR A 37 8.084 3.839 -4.222 1.00 0.35 H new ATOM 0 HG22 THR A 37 7.174 3.023 -5.515 1.00 0.35 H new ATOM 0 HG23 THR A 37 6.333 3.572 -4.046 1.00 0.35 H new ATOM 168 N GLN A 38 6.994 -0.402 -6.124 1.00 0.24 N ATOM 169 CA GLN A 38 6.918 -0.663 -7.565 1.00 0.29 C ATOM 170 C GLN A 38 5.601 -1.301 -8.017 1.00 0.31 C ATOM 171 O GLN A 38 5.036 -0.869 -9.025 1.00 0.42 O ATOM 172 CB GLN A 38 8.087 -1.547 -8.016 1.00 0.35 C ATOM 173 CG GLN A 38 9.487 -0.919 -7.935 1.00 0.49 C ATOM 174 CD GLN A 38 9.500 0.604 -7.986 1.00 0.91 C ATOM 175 OE1 GLN A 38 9.346 1.233 -9.031 1.00 2.04 O ATOM 176 NE2 GLN A 38 9.639 1.248 -6.852 1.00 0.73 N ATOM 0 H GLN A 38 7.661 -0.997 -5.632 1.00 0.24 H new ATOM 0 HA GLN A 38 6.973 0.317 -8.038 1.00 0.29 H new ATOM 0 HB2 GLN A 38 8.083 -2.454 -7.411 1.00 0.35 H new ATOM 0 HB3 GLN A 38 7.908 -1.851 -9.047 1.00 0.35 H new ATOM 0 HG2 GLN A 38 9.964 -1.243 -7.010 1.00 0.49 H new ATOM 0 HG3 GLN A 38 10.092 -1.303 -8.757 1.00 0.49 H new ATOM 0 HE21 GLN A 38 9.767 0.729 -5.983 1.00 0.73 H new ATOM 0 HE22 GLN A 38 9.619 2.268 -6.839 1.00 0.73 H new ATOM 185 N ILE A 39 5.085 -2.295 -7.286 1.00 0.26 N ATOM 186 CA ILE A 39 3.828 -2.969 -7.667 1.00 0.27 C ATOM 187 C ILE A 39 2.622 -2.076 -7.342 1.00 0.26 C ATOM 188 O ILE A 39 1.616 -2.089 -8.053 1.00 0.27 O ATOM 189 CB ILE A 39 3.715 -4.369 -7.021 1.00 0.31 C ATOM 190 CG1 ILE A 39 5.003 -5.197 -7.241 1.00 0.28 C ATOM 191 CG2 ILE A 39 2.489 -5.081 -7.621 1.00 0.39 C ATOM 192 CD1 ILE A 39 4.965 -6.605 -6.645 1.00 0.53 C ATOM 0 H ILE A 39 5.511 -2.653 -6.431 1.00 0.26 H new ATOM 0 HA ILE A 39 3.837 -3.130 -8.745 1.00 0.27 H new ATOM 0 HB ILE A 39 3.591 -4.264 -5.943 1.00 0.31 H new ATOM 0 HG12 ILE A 39 5.190 -5.275 -8.312 1.00 0.28 H new ATOM 0 HG13 ILE A 39 5.845 -4.656 -6.809 1.00 0.28 H new ATOM 0 HG21 ILE A 39 2.391 -6.072 -7.178 1.00 0.39 H new ATOM 0 HG22 ILE A 39 1.591 -4.499 -7.411 1.00 0.39 H new ATOM 0 HG23 ILE A 39 2.615 -5.176 -8.699 1.00 0.39 H new ATOM 0 HD11 ILE A 39 5.909 -7.111 -6.848 1.00 0.53 H new ATOM 0 HD12 ILE A 39 4.812 -6.540 -5.568 1.00 0.53 H new ATOM 0 HD13 ILE A 39 4.147 -7.168 -7.094 1.00 0.53 H new ATOM 204 N LEU A 40 2.748 -1.214 -6.332 1.00 0.24 N ATOM 205 CA LEU A 40 1.777 -0.154 -6.062 1.00 0.23 C ATOM 206 C LEU A 40 1.534 0.776 -7.260 1.00 0.24 C ATOM 207 O LEU A 40 0.389 1.141 -7.517 1.00 0.26 O ATOM 208 CB LEU A 40 2.237 0.647 -4.834 1.00 0.26 C ATOM 209 CG LEU A 40 1.956 -0.077 -3.510 1.00 0.28 C ATOM 210 CD1 LEU A 40 2.356 0.848 -2.366 1.00 0.40 C ATOM 211 CD2 LEU A 40 0.499 -0.502 -3.308 1.00 0.27 C ATOM 0 H LEU A 40 3.529 -1.232 -5.676 1.00 0.24 H new ATOM 0 HA LEU A 40 0.818 -0.633 -5.865 1.00 0.23 H new ATOM 0 HB2 LEU A 40 3.306 0.844 -4.915 1.00 0.26 H new ATOM 0 HB3 LEU A 40 1.734 1.614 -4.828 1.00 0.26 H new ATOM 0 HG LEU A 40 2.538 -0.998 -3.533 1.00 0.28 H new ATOM 0 HD11 LEU A 40 2.165 0.353 -1.414 1.00 0.40 H new ATOM 0 HD12 LEU A 40 3.417 1.086 -2.444 1.00 0.40 H new ATOM 0 HD13 LEU A 40 1.773 1.767 -2.421 1.00 0.40 H new ATOM 0 HD21 LEU A 40 0.397 -1.005 -2.347 1.00 0.27 H new ATOM 0 HD22 LEU A 40 -0.143 0.379 -3.327 1.00 0.27 H new ATOM 0 HD23 LEU A 40 0.204 -1.183 -4.107 1.00 0.27 H new ATOM 223 N LYS A 41 2.571 1.102 -8.036 1.00 0.26 N ATOM 224 CA LYS A 41 2.444 1.981 -9.219 1.00 0.28 C ATOM 225 C LYS A 41 1.540 1.388 -10.294 1.00 0.36 C ATOM 226 O LYS A 41 0.835 2.132 -10.971 1.00 0.60 O ATOM 227 CB LYS A 41 3.801 2.352 -9.831 1.00 0.35 C ATOM 228 CG LYS A 41 4.764 2.803 -8.739 1.00 0.47 C ATOM 229 CD LYS A 41 5.840 3.797 -9.176 1.00 0.72 C ATOM 230 CE LYS A 41 6.880 3.859 -8.051 1.00 1.11 C ATOM 231 NZ LYS A 41 7.811 4.998 -8.191 1.00 1.40 N ATOM 0 H LYS A 41 3.521 0.770 -7.870 1.00 0.26 H new ATOM 0 HA LYS A 41 1.980 2.893 -8.845 1.00 0.28 H new ATOM 0 HB2 LYS A 41 4.216 1.495 -10.361 1.00 0.35 H new ATOM 0 HB3 LYS A 41 3.672 3.148 -10.564 1.00 0.35 H new ATOM 0 HG2 LYS A 41 4.185 3.253 -7.932 1.00 0.47 H new ATOM 0 HG3 LYS A 41 5.255 1.922 -8.326 1.00 0.47 H new ATOM 0 HD2 LYS A 41 6.302 3.478 -10.110 1.00 0.72 H new ATOM 0 HD3 LYS A 41 5.406 4.781 -9.354 1.00 0.72 H new ATOM 0 HE2 LYS A 41 6.367 3.931 -7.092 1.00 1.11 H new ATOM 0 HE3 LYS A 41 7.450 2.930 -8.038 1.00 1.11 H new ATOM 0 HZ1 LYS A 41 8.491 4.990 -7.404 1.00 1.40 H new ATOM 0 HZ2 LYS A 41 8.324 4.918 -9.092 1.00 1.40 H new ATOM 0 HZ3 LYS A 41 7.275 5.889 -8.176 1.00 1.40 H new ATOM 245 N GLU A 42 1.544 0.059 -10.413 1.00 0.32 N ATOM 246 CA GLU A 42 0.862 -0.752 -11.385 1.00 0.35 C ATOM 247 C GLU A 42 -0.526 -1.199 -10.977 1.00 0.32 C ATOM 248 O GLU A 42 -1.417 -1.269 -11.827 1.00 0.37 O ATOM 249 CB GLU A 42 1.720 -1.984 -11.504 1.00 0.38 C ATOM 250 CG GLU A 42 2.986 -1.896 -12.320 1.00 0.47 C ATOM 251 CD GLU A 42 3.733 -3.237 -12.397 1.00 0.93 C ATOM 252 OE1 GLU A 42 4.904 -3.315 -11.943 1.00 1.92 O ATOM 253 OE2 GLU A 42 3.172 -4.206 -12.973 1.00 2.25 O ATOM 0 H GLU A 42 2.079 -0.517 -9.763 1.00 0.32 H new ATOM 0 HA GLU A 42 0.728 -0.173 -12.299 1.00 0.35 H new ATOM 0 HB2 GLU A 42 1.994 -2.297 -10.497 1.00 0.38 H new ATOM 0 HB3 GLU A 42 1.105 -2.778 -11.928 1.00 0.38 H new ATOM 0 HG2 GLU A 42 2.742 -1.562 -13.328 1.00 0.47 H new ATOM 0 HG3 GLU A 42 3.643 -1.143 -11.885 1.00 0.47 H new ATOM 260 N LYS A 43 -0.738 -1.482 -9.685 1.00 0.26 N ATOM 261 CA LYS A 43 -2.089 -1.684 -9.195 1.00 0.25 C ATOM 262 C LYS A 43 -2.844 -0.374 -9.008 1.00 0.28 C ATOM 263 O LYS A 43 -4.077 -0.396 -8.982 1.00 0.43 O ATOM 264 CB LYS A 43 -2.136 -2.570 -7.949 1.00 0.22 C ATOM 265 CG LYS A 43 -1.567 -3.984 -8.099 1.00 0.35 C ATOM 266 CD LYS A 43 -2.259 -4.785 -9.214 1.00 0.55 C ATOM 267 CE LYS A 43 -1.540 -6.095 -9.548 1.00 0.85 C ATOM 268 NZ LYS A 43 -2.278 -6.866 -10.581 1.00 1.38 N ATOM 0 H LYS A 43 -0.004 -1.573 -8.982 1.00 0.26 H new ATOM 0 HA LYS A 43 -2.616 -2.231 -9.976 1.00 0.25 H new ATOM 0 HB2 LYS A 43 -1.592 -2.066 -7.150 1.00 0.22 H new ATOM 0 HB3 LYS A 43 -3.174 -2.651 -7.626 1.00 0.22 H new ATOM 0 HG2 LYS A 43 -0.500 -3.921 -8.311 1.00 0.35 H new ATOM 0 HG3 LYS A 43 -1.674 -4.517 -7.154 1.00 0.35 H new ATOM 0 HD2 LYS A 43 -3.283 -5.006 -8.912 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -2.317 -4.170 -10.112 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -0.532 -5.879 -9.903 1.00 0.85 H new ATOM 0 HE3 LYS A 43 -1.438 -6.697 -8.645 1.00 0.85 H new ATOM 0 HZ1 LYS A 43 -1.767 -7.748 -10.787 1.00 1.38 H new ATOM 0 HZ2 LYS A 43 -3.231 -7.091 -10.231 1.00 1.38 H new ATOM 0 HZ3 LYS A 43 -2.353 -6.299 -11.450 1.00 1.38 H new ATOM 282 N PHE A 44 -2.129 0.755 -8.953 1.00 0.23 N ATOM 283 CA PHE A 44 -2.724 2.088 -8.868 1.00 0.24 C ATOM 284 C PHE A 44 -2.176 3.165 -9.841 1.00 0.33 C ATOM 285 O PHE A 44 -1.705 4.224 -9.418 1.00 0.35 O ATOM 286 CB PHE A 44 -2.767 2.512 -7.380 1.00 0.22 C ATOM 287 CG PHE A 44 -3.341 1.464 -6.434 1.00 0.22 C ATOM 288 CD1 PHE A 44 -2.511 0.513 -5.800 1.00 2.07 C ATOM 289 CD2 PHE A 44 -4.735 1.381 -6.269 1.00 1.98 C ATOM 290 CE1 PHE A 44 -3.072 -0.550 -5.069 1.00 2.11 C ATOM 291 CE2 PHE A 44 -5.294 0.337 -5.517 1.00 1.94 C ATOM 292 CZ PHE A 44 -4.466 -0.636 -4.936 1.00 0.24 C ATOM 0 H PHE A 44 -1.109 0.766 -8.967 1.00 0.23 H new ATOM 0 HA PHE A 44 -3.741 2.010 -9.251 1.00 0.24 H new ATOM 0 HB2 PHE A 44 -1.755 2.757 -7.057 1.00 0.22 H new ATOM 0 HB3 PHE A 44 -3.359 3.423 -7.293 1.00 0.22 H new ATOM 0 HD1 PHE A 44 -1.437 0.603 -5.877 1.00 2.07 H new ATOM 0 HD2 PHE A 44 -5.376 2.122 -6.722 1.00 1.98 H new ATOM 0 HE1 PHE A 44 -2.435 -1.294 -4.614 1.00 2.11 H new ATOM 0 HE2 PHE A 44 -6.364 0.282 -5.385 1.00 1.94 H new ATOM 0 HZ PHE A 44 -4.904 -1.455 -4.384 1.00 0.24 H new ATOM 302 N PRO A 45 -2.291 2.960 -11.170 1.00 0.54 N ATOM 303 CA PRO A 45 -2.010 3.971 -12.199 1.00 0.75 C ATOM 304 C PRO A 45 -3.003 5.137 -12.241 1.00 0.78 C ATOM 305 O PRO A 45 -2.616 6.236 -12.645 1.00 0.90 O ATOM 306 CB PRO A 45 -1.942 3.215 -13.531 1.00 0.88 C ATOM 307 CG PRO A 45 -2.751 1.948 -13.271 1.00 0.77 C ATOM 308 CD PRO A 45 -2.439 1.670 -11.807 1.00 0.54 C ATOM 0 HA PRO A 45 -1.068 4.468 -11.967 1.00 0.75 H new ATOM 0 HB2 PRO A 45 -2.367 3.801 -14.346 1.00 0.88 H new ATOM 0 HB3 PRO A 45 -0.913 2.983 -13.808 1.00 0.88 H new ATOM 0 HG2 PRO A 45 -3.817 2.102 -13.439 1.00 0.77 H new ATOM 0 HG3 PRO A 45 -2.442 1.127 -13.917 1.00 0.77 H new ATOM 0 HD2 PRO A 45 -3.240 1.096 -11.341 1.00 0.54 H new ATOM 0 HD3 PRO A 45 -1.527 1.081 -11.709 1.00 0.54 H new ATOM 316 N ARG A 46 -4.245 4.966 -11.761 1.00 0.71 N ATOM 317 CA ARG A 46 -5.202 6.076 -11.606 1.00 0.75 C ATOM 318 C ARG A 46 -4.991 6.927 -10.346 1.00 0.60 C ATOM 319 O ARG A 46 -5.734 7.888 -10.131 1.00 0.82 O ATOM 320 CB ARG A 46 -6.641 5.547 -11.688 1.00 0.89 C ATOM 321 CG ARG A 46 -7.057 4.969 -13.052 1.00 1.12 C ATOM 322 CD ARG A 46 -7.398 6.032 -14.112 1.00 2.02 C ATOM 323 NE ARG A 46 -6.203 6.681 -14.681 1.00 3.07 N ATOM 324 CZ ARG A 46 -5.861 7.957 -14.611 1.00 4.76 C ATOM 325 NH1 ARG A 46 -6.557 8.882 -14.016 1.00 5.58 N ATOM 326 NH2 ARG A 46 -4.752 8.373 -15.135 1.00 6.25 N ATOM 0 H ARG A 46 -4.614 4.060 -11.471 1.00 0.71 H new ATOM 0 HA ARG A 46 -5.013 6.757 -12.436 1.00 0.75 H new ATOM 0 HB2 ARG A 46 -6.769 4.773 -10.931 1.00 0.89 H new ATOM 0 HB3 ARG A 46 -7.323 6.358 -11.433 1.00 0.89 H new ATOM 0 HG2 ARG A 46 -6.249 4.342 -13.430 1.00 1.12 H new ATOM 0 HG3 ARG A 46 -7.923 4.322 -12.911 1.00 1.12 H new ATOM 0 HD2 ARG A 46 -7.969 5.566 -14.915 1.00 2.02 H new ATOM 0 HD3 ARG A 46 -8.039 6.791 -13.664 1.00 2.02 H new ATOM 0 HE ARG A 46 -5.562 6.073 -15.190 1.00 3.07 H new ATOM 0 HH11 ARG A 46 -7.437 8.643 -13.559 1.00 5.58 H new ATOM 0 HH12 ARG A 46 -6.223 9.846 -14.007 1.00 5.58 H new ATOM 0 HH21 ARG A 46 -4.133 7.715 -15.607 1.00 6.25 H new ATOM 0 HH22 ARG A 46 -4.498 9.359 -15.075 1.00 6.25 H new ATOM 340 N ALA A 47 -3.992 6.604 -9.526 1.00 0.33 N ATOM 341 CA ALA A 47 -3.747 7.282 -8.261 1.00 0.24 C ATOM 342 C ALA A 47 -3.315 8.750 -8.394 1.00 0.33 C ATOM 343 O ALA A 47 -2.580 9.126 -9.315 1.00 0.52 O ATOM 344 CB ALA A 47 -2.718 6.491 -7.459 1.00 0.36 C ATOM 0 H ALA A 47 -3.326 5.858 -9.726 1.00 0.33 H new ATOM 0 HA ALA A 47 -4.703 7.316 -7.739 1.00 0.24 H new ATOM 0 HB1 ALA A 47 -2.531 6.994 -6.511 1.00 0.36 H new ATOM 0 HB2 ALA A 47 -3.099 5.488 -7.268 1.00 0.36 H new ATOM 0 HB3 ALA A 47 -1.788 6.425 -8.024 1.00 0.36 H new ATOM 350 N THR A 48 -3.705 9.560 -7.409 1.00 0.25 N ATOM 351 CA THR A 48 -3.184 10.919 -7.191 1.00 0.29 C ATOM 352 C THR A 48 -2.189 10.991 -6.025 1.00 0.34 C ATOM 353 O THR A 48 -1.373 11.914 -5.997 1.00 0.50 O ATOM 354 CB THR A 48 -4.297 11.967 -7.055 1.00 0.41 C ATOM 355 OG1 THR A 48 -4.966 11.823 -5.833 1.00 0.56 O ATOM 356 CG2 THR A 48 -5.339 11.871 -8.172 1.00 0.47 C ATOM 0 H THR A 48 -4.408 9.287 -6.722 1.00 0.25 H new ATOM 0 HA THR A 48 -2.628 11.169 -8.095 1.00 0.29 H new ATOM 0 HB THR A 48 -3.802 12.936 -7.117 1.00 0.41 H new ATOM 0 HG1 THR A 48 -5.671 12.501 -5.764 1.00 0.56 H new ATOM 0 HG21 THR A 48 -6.102 12.636 -8.025 1.00 0.47 H new ATOM 0 HG22 THR A 48 -4.854 12.023 -9.136 1.00 0.47 H new ATOM 0 HG23 THR A 48 -5.805 10.886 -8.152 1.00 0.47 H new ATOM 364 N ALA A 49 -2.166 10.008 -5.113 1.00 0.31 N ATOM 365 CA ALA A 49 -1.024 9.743 -4.227 1.00 0.34 C ATOM 366 C ALA A 49 -0.663 8.244 -4.176 1.00 0.26 C ATOM 367 O ALA A 49 -1.565 7.409 -4.192 1.00 0.22 O ATOM 368 CB ALA A 49 -1.346 10.289 -2.831 1.00 0.41 C ATOM 0 H ALA A 49 -2.948 9.369 -4.969 1.00 0.31 H new ATOM 0 HA ALA A 49 -0.145 10.251 -4.624 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.506 10.099 -2.163 1.00 0.41 H new ATOM 0 HB2 ALA A 49 -1.525 11.362 -2.892 1.00 0.41 H new ATOM 0 HB3 ALA A 49 -2.237 9.795 -2.443 1.00 0.41 H new ATOM 374 N ILE A 50 0.634 7.916 -4.076 1.00 0.27 N ATOM 375 CA ILE A 50 1.206 6.573 -3.828 1.00 0.25 C ATOM 376 C ILE A 50 2.624 6.683 -3.227 1.00 0.28 C ATOM 377 O ILE A 50 3.579 7.073 -3.909 1.00 0.39 O ATOM 378 CB ILE A 50 1.270 5.685 -5.104 1.00 0.31 C ATOM 379 CG1 ILE A 50 1.530 6.484 -6.402 1.00 0.40 C ATOM 380 CG2 ILE A 50 0.020 4.800 -5.230 1.00 0.28 C ATOM 381 CD1 ILE A 50 1.813 5.595 -7.614 1.00 0.56 C ATOM 0 H ILE A 50 1.363 8.623 -4.172 1.00 0.27 H new ATOM 0 HA ILE A 50 0.529 6.092 -3.122 1.00 0.25 H new ATOM 0 HB ILE A 50 2.138 5.038 -4.976 1.00 0.31 H new ATOM 0 HG12 ILE A 50 0.664 7.111 -6.614 1.00 0.40 H new ATOM 0 HG13 ILE A 50 2.376 7.153 -6.245 1.00 0.40 H new ATOM 0 HG21 ILE A 50 0.094 4.191 -6.131 1.00 0.28 H new ATOM 0 HG22 ILE A 50 -0.055 4.150 -4.358 1.00 0.28 H new ATOM 0 HG23 ILE A 50 -0.867 5.430 -5.290 1.00 0.28 H new ATOM 0 HD11 ILE A 50 1.986 6.219 -8.491 1.00 0.56 H new ATOM 0 HD12 ILE A 50 2.697 4.987 -7.421 1.00 0.56 H new ATOM 0 HD13 ILE A 50 0.958 4.944 -7.796 1.00 0.56 H new ATOM 393 N LYS A 51 2.779 6.315 -1.949 1.00 0.22 N ATOM 394 CA LYS A 51 4.050 6.336 -1.196 1.00 0.25 C ATOM 395 C LYS A 51 4.105 5.280 -0.079 1.00 0.24 C ATOM 396 O LYS A 51 3.059 4.843 0.406 1.00 0.26 O ATOM 397 CB LYS A 51 4.291 7.753 -0.665 1.00 0.34 C ATOM 398 CG LYS A 51 3.198 8.247 0.298 1.00 0.40 C ATOM 399 CD LYS A 51 2.980 9.753 0.167 1.00 0.56 C ATOM 400 CE LYS A 51 2.264 10.108 -1.146 1.00 0.73 C ATOM 401 NZ LYS A 51 1.746 11.495 -1.122 1.00 1.19 N ATOM 0 H LYS A 51 1.997 5.981 -1.386 1.00 0.22 H new ATOM 0 HA LYS A 51 4.857 6.065 -1.877 1.00 0.25 H new ATOM 0 HB2 LYS A 51 5.253 7.781 -0.153 1.00 0.34 H new ATOM 0 HB3 LYS A 51 4.358 8.441 -1.508 1.00 0.34 H new ATOM 0 HG2 LYS A 51 2.265 7.723 0.091 1.00 0.40 H new ATOM 0 HG3 LYS A 51 3.478 8.006 1.323 1.00 0.40 H new ATOM 0 HD2 LYS A 51 2.391 10.111 1.012 1.00 0.56 H new ATOM 0 HD3 LYS A 51 3.941 10.265 0.208 1.00 0.56 H new ATOM 0 HE2 LYS A 51 2.954 9.990 -1.982 1.00 0.73 H new ATOM 0 HE3 LYS A 51 1.441 9.413 -1.312 1.00 0.73 H new ATOM 0 HZ1 LYS A 51 1.269 11.703 -2.022 1.00 1.19 H new ATOM 0 HZ2 LYS A 51 1.069 11.599 -0.339 1.00 1.19 H new ATOM 0 HZ3 LYS A 51 2.536 12.158 -0.988 1.00 1.19 H new ATOM 415 N VAL A 52 5.321 4.881 0.314 1.00 0.25 N ATOM 416 CA VAL A 52 5.613 3.773 1.253 1.00 0.23 C ATOM 417 C VAL A 52 6.693 4.164 2.271 1.00 0.24 C ATOM 418 O VAL A 52 7.637 4.866 1.901 1.00 0.35 O ATOM 419 CB VAL A 52 6.076 2.508 0.482 1.00 0.26 C ATOM 420 CG1 VAL A 52 6.125 1.257 1.374 1.00 0.27 C ATOM 421 CG2 VAL A 52 5.190 2.166 -0.727 1.00 0.31 C ATOM 0 H VAL A 52 6.169 5.336 -0.024 1.00 0.25 H new ATOM 0 HA VAL A 52 4.689 3.558 1.789 1.00 0.23 H new ATOM 0 HB VAL A 52 7.076 2.771 0.137 1.00 0.26 H new ATOM 0 HG11 VAL A 52 6.455 0.402 0.784 1.00 0.27 H new ATOM 0 HG12 VAL A 52 6.823 1.422 2.195 1.00 0.27 H new ATOM 0 HG13 VAL A 52 5.132 1.058 1.777 1.00 0.27 H new ATOM 0 HG21 VAL A 52 5.573 1.271 -1.217 1.00 0.31 H new ATOM 0 HG22 VAL A 52 4.169 1.986 -0.391 1.00 0.31 H new ATOM 0 HG23 VAL A 52 5.199 2.998 -1.431 1.00 0.31 H new ATOM 431 N THR A 53 6.606 3.672 3.516 1.00 0.22 N ATOM 432 CA THR A 53 7.667 3.845 4.532 1.00 0.21 C ATOM 433 C THR A 53 7.889 2.572 5.336 1.00 0.21 C ATOM 434 O THR A 53 6.957 2.051 5.930 1.00 0.21 O ATOM 435 CB THR A 53 7.292 5.001 5.484 1.00 0.25 C ATOM 436 OG1 THR A 53 7.190 6.218 4.773 1.00 0.35 O ATOM 437 CG2 THR A 53 8.287 5.249 6.609 1.00 0.29 C ATOM 0 H THR A 53 5.801 3.143 3.851 1.00 0.22 H new ATOM 0 HA THR A 53 8.595 4.078 4.010 1.00 0.21 H new ATOM 0 HB THR A 53 6.345 4.685 5.921 1.00 0.25 H new ATOM 0 HG1 THR A 53 6.950 6.939 5.392 1.00 0.35 H new ATOM 0 HG21 THR A 53 7.940 6.078 7.225 1.00 0.29 H new ATOM 0 HG22 THR A 53 8.373 4.352 7.223 1.00 0.29 H new ATOM 0 HG23 THR A 53 9.261 5.494 6.186 1.00 0.29 H new ATOM 445 N ASP A 54 9.125 2.082 5.416 1.00 0.24 N ATOM 446 CA ASP A 54 9.501 1.013 6.351 1.00 0.23 C ATOM 447 C ASP A 54 9.519 1.541 7.788 1.00 0.23 C ATOM 448 O ASP A 54 10.209 2.512 8.116 1.00 0.34 O ATOM 449 CB ASP A 54 10.891 0.472 5.964 1.00 0.29 C ATOM 450 CG ASP A 54 11.560 -0.335 7.089 1.00 0.48 C ATOM 451 OD1 ASP A 54 12.752 -0.068 7.388 1.00 1.64 O ATOM 452 OD2 ASP A 54 10.882 -1.157 7.737 1.00 1.82 O ATOM 0 H ASP A 54 9.897 2.412 4.836 1.00 0.24 H new ATOM 0 HA ASP A 54 8.768 0.209 6.294 1.00 0.23 H new ATOM 0 HB2 ASP A 54 10.795 -0.159 5.080 1.00 0.29 H new ATOM 0 HB3 ASP A 54 11.536 1.307 5.691 1.00 0.29 H new ATOM 457 N ILE A 55 8.794 0.848 8.658 1.00 0.22 N ATOM 458 CA ILE A 55 8.657 1.152 10.088 1.00 0.31 C ATOM 459 C ILE A 55 9.019 -0.073 10.955 1.00 0.41 C ATOM 460 O ILE A 55 8.623 -0.178 12.121 1.00 0.50 O ATOM 461 CB ILE A 55 7.277 1.806 10.353 1.00 0.32 C ATOM 462 CG1 ILE A 55 6.106 0.868 9.974 1.00 0.28 C ATOM 463 CG2 ILE A 55 7.187 3.159 9.618 1.00 0.36 C ATOM 464 CD1 ILE A 55 4.730 1.545 9.872 1.00 0.30 C ATOM 0 H ILE A 55 8.261 0.024 8.381 1.00 0.22 H new ATOM 0 HA ILE A 55 9.385 1.901 10.400 1.00 0.31 H new ATOM 0 HB ILE A 55 7.187 1.987 11.424 1.00 0.32 H new ATOM 0 HG12 ILE A 55 6.333 0.398 9.017 1.00 0.28 H new ATOM 0 HG13 ILE A 55 6.046 0.070 10.715 1.00 0.28 H new ATOM 0 HG21 ILE A 55 6.214 3.613 9.809 1.00 0.36 H new ATOM 0 HG22 ILE A 55 7.974 3.822 9.978 1.00 0.36 H new ATOM 0 HG23 ILE A 55 7.309 3.000 8.547 1.00 0.36 H new ATOM 0 HD11 ILE A 55 3.979 0.803 9.602 1.00 0.30 H new ATOM 0 HD12 ILE A 55 4.471 1.990 10.833 1.00 0.30 H new ATOM 0 HD13 ILE A 55 4.763 2.323 9.109 1.00 0.30 H new ATOM 476 N SER A 56 9.801 -0.993 10.373 1.00 0.49 N ATOM 477 CA SER A 56 10.322 -2.241 10.936 1.00 0.56 C ATOM 478 C SER A 56 11.827 -2.375 10.670 1.00 0.58 C ATOM 479 O SER A 56 12.314 -3.298 10.016 1.00 0.61 O ATOM 480 CB SER A 56 9.482 -3.404 10.424 1.00 0.60 C ATOM 481 OG SER A 56 9.882 -4.655 10.949 1.00 1.36 O ATOM 0 H SER A 56 10.111 -0.869 9.409 1.00 0.49 H new ATOM 0 HA SER A 56 10.232 -2.242 12.022 1.00 0.56 H new ATOM 0 HB2 SER A 56 8.437 -3.228 10.678 1.00 0.60 H new ATOM 0 HB3 SER A 56 9.544 -3.437 9.336 1.00 0.60 H new ATOM 0 HG SER A 56 9.136 -5.057 11.442 1.00 1.36 H new ATOM 487 N GLY A 57 12.615 -1.447 11.211 1.00 0.67 N ATOM 488 CA GLY A 57 14.058 -1.355 10.971 1.00 0.78 C ATOM 489 C GLY A 57 14.921 -2.557 11.394 1.00 0.84 C ATOM 490 O GLY A 57 16.097 -2.610 11.025 1.00 1.15 O ATOM 0 H GLY A 57 12.264 -0.724 11.840 1.00 0.67 H new ATOM 0 HA2 GLY A 57 14.213 -1.187 9.905 1.00 0.78 H new ATOM 0 HA3 GLY A 57 14.431 -0.472 11.490 1.00 0.78 H new ATOM 494 N GLY A 58 14.351 -3.512 12.131 1.00 0.73 N ATOM 495 CA GLY A 58 14.993 -4.743 12.618 1.00 0.85 C ATOM 496 C GLY A 58 14.627 -6.017 11.854 1.00 0.76 C ATOM 497 O GLY A 58 15.367 -7.002 11.900 1.00 0.97 O ATOM 0 H GLY A 58 13.376 -3.448 12.422 1.00 0.73 H new ATOM 0 HA2 GLY A 58 16.074 -4.611 12.575 1.00 0.85 H new ATOM 0 HA3 GLY A 58 14.730 -4.880 13.667 1.00 0.85 H new ATOM 501 N CYS A 59 13.511 -5.993 11.125 1.00 0.69 N ATOM 502 CA CYS A 59 12.829 -7.189 10.618 1.00 0.79 C ATOM 503 C CYS A 59 12.174 -6.980 9.236 1.00 0.79 C ATOM 504 O CYS A 59 12.049 -7.922 8.451 1.00 0.95 O ATOM 505 CB CYS A 59 11.762 -7.533 11.669 1.00 0.98 C ATOM 506 SG CYS A 59 12.498 -8.373 13.099 1.00 2.59 S ATOM 0 H CYS A 59 13.044 -5.124 10.864 1.00 0.69 H new ATOM 0 HA CYS A 59 13.551 -7.992 10.470 1.00 0.79 H new ATOM 0 HB2 CYS A 59 11.263 -6.621 11.997 1.00 0.98 H new ATOM 0 HB3 CYS A 59 10.999 -8.171 11.222 1.00 0.98 H new ATOM 0 HG CYS A 59 11.570 -8.646 13.967 1.00 2.59 H new ATOM 512 N GLY A 60 11.755 -5.748 8.944 1.00 0.66 N ATOM 513 CA GLY A 60 11.034 -5.297 7.757 1.00 0.63 C ATOM 514 C GLY A 60 9.676 -5.981 7.563 1.00 0.66 C ATOM 515 O GLY A 60 9.333 -6.382 6.450 1.00 0.73 O ATOM 0 H GLY A 60 11.927 -4.976 9.588 1.00 0.66 H new ATOM 0 HA2 GLY A 60 10.882 -4.220 7.823 1.00 0.63 H new ATOM 0 HA3 GLY A 60 11.651 -5.479 6.877 1.00 0.63 H new ATOM 519 N ALA A 61 8.932 -6.159 8.659 1.00 0.67 N ATOM 520 CA ALA A 61 7.621 -6.803 8.719 1.00 0.75 C ATOM 521 C ALA A 61 6.453 -5.792 8.729 1.00 0.66 C ATOM 522 O ALA A 61 5.314 -6.170 8.458 1.00 0.80 O ATOM 523 CB ALA A 61 7.619 -7.698 9.965 1.00 0.90 C ATOM 0 H ALA A 61 9.247 -5.840 9.575 1.00 0.67 H new ATOM 0 HA ALA A 61 7.460 -7.395 7.818 1.00 0.75 H new ATOM 0 HB1 ALA A 61 6.656 -8.201 10.050 1.00 0.90 H new ATOM 0 HB2 ALA A 61 8.411 -8.442 9.879 1.00 0.90 H new ATOM 0 HB3 ALA A 61 7.789 -7.088 10.852 1.00 0.90 H new ATOM 529 N MET A 62 6.727 -4.517 9.028 1.00 0.57 N ATOM 530 CA MET A 62 5.792 -3.394 8.998 1.00 0.39 C ATOM 531 C MET A 62 6.188 -2.324 7.993 1.00 0.30 C ATOM 532 O MET A 62 7.351 -1.925 7.919 1.00 0.34 O ATOM 533 CB MET A 62 5.699 -2.674 10.346 1.00 0.57 C ATOM 534 CG MET A 62 5.164 -3.508 11.487 1.00 0.57 C ATOM 535 SD MET A 62 6.251 -4.750 12.229 1.00 1.99 S ATOM 536 CE MET A 62 6.983 -3.700 13.496 1.00 0.90 C ATOM 0 H MET A 62 7.663 -4.228 9.314 1.00 0.57 H new ATOM 0 HA MET A 62 4.842 -3.853 8.726 1.00 0.39 H new ATOM 0 HB2 MET A 62 6.691 -2.313 10.616 1.00 0.57 H new ATOM 0 HB3 MET A 62 5.062 -1.798 10.228 1.00 0.57 H new ATOM 0 HG2 MET A 62 4.850 -2.826 12.278 1.00 0.57 H new ATOM 0 HG3 MET A 62 4.269 -4.019 11.133 1.00 0.57 H new ATOM 0 HE1 MET A 62 7.698 -4.279 14.080 1.00 0.90 H new ATOM 0 HE2 MET A 62 7.495 -2.862 13.023 1.00 0.90 H new ATOM 0 HE3 MET A 62 6.199 -3.322 14.153 1.00 0.90 H new ATOM 546 N TYR A 63 5.173 -1.772 7.335 1.00 0.25 N ATOM 547 CA TYR A 63 5.302 -0.617 6.456 1.00 0.24 C ATOM 548 C TYR A 63 4.072 0.287 6.545 1.00 0.25 C ATOM 549 O TYR A 63 2.948 -0.187 6.683 1.00 0.29 O ATOM 550 CB TYR A 63 5.482 -1.053 5.001 1.00 0.29 C ATOM 551 CG TYR A 63 6.710 -1.890 4.699 1.00 0.32 C ATOM 552 CD1 TYR A 63 7.911 -1.299 4.264 1.00 1.76 C ATOM 553 CD2 TYR A 63 6.649 -3.282 4.896 1.00 1.83 C ATOM 554 CE1 TYR A 63 9.064 -2.093 4.111 1.00 1.76 C ATOM 555 CE2 TYR A 63 7.786 -4.084 4.715 1.00 1.85 C ATOM 556 CZ TYR A 63 9.009 -3.486 4.358 1.00 0.36 C ATOM 557 OH TYR A 63 10.121 -4.263 4.271 1.00 0.42 O ATOM 0 H TYR A 63 4.218 -2.124 7.400 1.00 0.25 H new ATOM 0 HA TYR A 63 6.182 -0.065 6.785 1.00 0.24 H new ATOM 0 HB2 TYR A 63 4.600 -1.619 4.701 1.00 0.29 H new ATOM 0 HB3 TYR A 63 5.515 -0.160 4.377 1.00 0.29 H new ATOM 0 HD1 TYR A 63 7.948 -0.241 4.049 1.00 1.76 H new ATOM 0 HD2 TYR A 63 5.716 -3.739 5.190 1.00 1.83 H new ATOM 0 HE1 TYR A 63 9.994 -1.637 3.804 1.00 1.76 H new ATOM 0 HE2 TYR A 63 7.723 -5.154 4.849 1.00 1.85 H new ATOM 0 HH TYR A 63 10.043 -5.017 4.892 1.00 0.42 H new ATOM 567 N GLU A 64 4.284 1.582 6.391 1.00 0.24 N ATOM 568 CA GLU A 64 3.256 2.572 6.100 1.00 0.34 C ATOM 569 C GLU A 64 2.995 2.599 4.587 1.00 0.50 C ATOM 570 O GLU A 64 3.952 2.581 3.813 1.00 0.75 O ATOM 571 CB GLU A 64 3.738 3.948 6.599 1.00 0.52 C ATOM 572 CG GLU A 64 2.565 4.788 7.084 1.00 0.38 C ATOM 573 CD GLU A 64 3.000 6.190 7.531 1.00 0.65 C ATOM 574 OE1 GLU A 64 3.221 7.063 6.661 1.00 2.23 O ATOM 575 OE2 GLU A 64 3.102 6.458 8.754 1.00 1.46 O ATOM 0 H GLU A 64 5.215 1.992 6.468 1.00 0.24 H new ATOM 0 HA GLU A 64 2.325 2.319 6.607 1.00 0.34 H new ATOM 0 HB2 GLU A 64 4.456 3.815 7.409 1.00 0.52 H new ATOM 0 HB3 GLU A 64 4.257 4.470 5.795 1.00 0.52 H new ATOM 0 HG2 GLU A 64 1.829 4.876 6.285 1.00 0.38 H new ATOM 0 HG3 GLU A 64 2.075 4.280 7.915 1.00 0.38 H new ATOM 582 N ILE A 65 1.735 2.667 4.148 1.00 0.40 N ATOM 583 CA ILE A 65 1.367 2.900 2.739 1.00 0.34 C ATOM 584 C ILE A 65 0.270 3.965 2.671 1.00 0.26 C ATOM 585 O ILE A 65 -0.765 3.826 3.323 1.00 0.25 O ATOM 586 CB ILE A 65 0.916 1.600 2.025 1.00 0.39 C ATOM 587 CG1 ILE A 65 2.048 0.551 1.964 1.00 0.52 C ATOM 588 CG2 ILE A 65 0.446 1.932 0.594 1.00 0.38 C ATOM 589 CD1 ILE A 65 1.610 -0.816 1.419 1.00 0.65 C ATOM 0 H ILE A 65 0.929 2.561 4.764 1.00 0.40 H new ATOM 0 HA ILE A 65 2.254 3.252 2.212 1.00 0.34 H new ATOM 0 HB ILE A 65 0.096 1.173 2.603 1.00 0.39 H new ATOM 0 HG12 ILE A 65 2.853 0.938 1.339 1.00 0.52 H new ATOM 0 HG13 ILE A 65 2.458 0.416 2.965 1.00 0.52 H new ATOM 0 HG21 ILE A 65 0.129 1.017 0.094 1.00 0.38 H new ATOM 0 HG22 ILE A 65 -0.390 2.629 0.638 1.00 0.38 H new ATOM 0 HG23 ILE A 65 1.267 2.385 0.037 1.00 0.38 H new ATOM 0 HD11 ILE A 65 2.463 -1.494 1.409 1.00 0.65 H new ATOM 0 HD12 ILE A 65 0.827 -1.228 2.056 1.00 0.65 H new ATOM 0 HD13 ILE A 65 1.229 -0.698 0.405 1.00 0.65 H new ATOM 601 N LYS A 66 0.460 4.993 1.838 1.00 0.22 N ATOM 602 CA LYS A 66 -0.509 6.081 1.614 1.00 0.20 C ATOM 603 C LYS A 66 -0.845 6.205 0.129 1.00 0.22 C ATOM 604 O LYS A 66 0.040 6.478 -0.683 1.00 0.29 O ATOM 605 CB LYS A 66 0.029 7.385 2.237 1.00 0.37 C ATOM 606 CG LYS A 66 -0.224 7.428 3.753 1.00 0.83 C ATOM 607 CD LYS A 66 0.690 8.402 4.502 1.00 1.42 C ATOM 608 CE LYS A 66 0.308 8.404 5.987 1.00 1.98 C ATOM 609 NZ LYS A 66 1.336 9.082 6.800 1.00 2.73 N ATOM 0 H LYS A 66 1.311 5.098 1.285 1.00 0.22 H new ATOM 0 HA LYS A 66 -1.451 5.855 2.113 1.00 0.20 H new ATOM 0 HB2 LYS A 66 1.098 7.469 2.042 1.00 0.37 H new ATOM 0 HB3 LYS A 66 -0.450 8.241 1.762 1.00 0.37 H new ATOM 0 HG2 LYS A 66 -1.262 7.708 3.931 1.00 0.83 H new ATOM 0 HG3 LYS A 66 -0.088 6.427 4.164 1.00 0.83 H new ATOM 0 HD2 LYS A 66 1.733 8.108 4.382 1.00 1.42 H new ATOM 0 HD3 LYS A 66 0.592 9.405 4.087 1.00 1.42 H new ATOM 0 HE2 LYS A 66 -0.652 8.904 6.118 1.00 1.98 H new ATOM 0 HE3 LYS A 66 0.183 7.379 6.335 1.00 1.98 H new ATOM 0 HZ1 LYS A 66 0.929 9.356 7.717 1.00 2.73 H new ATOM 0 HZ2 LYS A 66 2.137 8.437 6.956 1.00 2.73 H new ATOM 0 HZ3 LYS A 66 1.668 9.932 6.301 1.00 2.73 H new ATOM 623 N ILE A 67 -2.117 5.974 -0.212 1.00 0.21 N ATOM 624 CA ILE A 67 -2.669 5.991 -1.568 1.00 0.24 C ATOM 625 C ILE A 67 -3.813 7.023 -1.639 1.00 0.32 C ATOM 626 O ILE A 67 -4.365 7.426 -0.617 1.00 0.47 O ATOM 627 CB ILE A 67 -3.112 4.578 -2.023 1.00 0.24 C ATOM 628 CG1 ILE A 67 -2.048 3.526 -1.631 1.00 0.21 C ATOM 629 CG2 ILE A 67 -3.451 4.540 -3.526 1.00 0.27 C ATOM 630 CD1 ILE A 67 -1.908 2.289 -2.516 1.00 0.25 C ATOM 0 H ILE A 67 -2.826 5.759 0.489 1.00 0.21 H new ATOM 0 HA ILE A 67 -1.891 6.295 -2.269 1.00 0.24 H new ATOM 0 HB ILE A 67 -4.034 4.324 -1.500 1.00 0.24 H new ATOM 0 HG12 ILE A 67 -1.080 4.025 -1.598 1.00 0.21 H new ATOM 0 HG13 ILE A 67 -2.267 3.190 -0.618 1.00 0.21 H new ATOM 0 HG21 ILE A 67 -3.757 3.532 -3.805 1.00 0.27 H new ATOM 0 HG22 ILE A 67 -4.264 5.236 -3.733 1.00 0.27 H new ATOM 0 HG23 ILE A 67 -2.572 4.825 -4.104 1.00 0.27 H new ATOM 0 HD11 ILE A 67 -1.125 1.644 -2.118 1.00 0.25 H new ATOM 0 HD12 ILE A 67 -2.853 1.745 -2.533 1.00 0.25 H new ATOM 0 HD13 ILE A 67 -1.646 2.594 -3.529 1.00 0.25 H new ATOM 642 N GLU A 68 -4.203 7.441 -2.837 1.00 0.27 N ATOM 643 CA GLU A 68 -5.470 8.114 -3.164 1.00 0.26 C ATOM 644 C GLU A 68 -5.736 7.875 -4.654 1.00 0.22 C ATOM 645 O GLU A 68 -4.806 8.025 -5.436 1.00 0.25 O ATOM 646 CB GLU A 68 -5.302 9.599 -2.834 1.00 0.31 C ATOM 647 CG GLU A 68 -6.476 10.567 -3.100 1.00 0.37 C ATOM 648 CD GLU A 68 -6.269 11.906 -2.363 1.00 0.45 C ATOM 649 OE1 GLU A 68 -6.133 11.889 -1.114 1.00 1.75 O ATOM 650 OE2 GLU A 68 -6.205 12.990 -2.998 1.00 1.77 O ATOM 0 H GLU A 68 -3.614 7.315 -3.660 1.00 0.27 H new ATOM 0 HA GLU A 68 -6.319 7.734 -2.595 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -5.048 9.674 -1.777 1.00 0.31 H new ATOM 0 HB3 GLU A 68 -4.442 9.965 -3.395 1.00 0.31 H new ATOM 0 HG2 GLU A 68 -6.567 10.748 -4.171 1.00 0.37 H new ATOM 0 HG3 GLU A 68 -7.410 10.109 -2.774 1.00 0.37 H new ATOM 657 N SER A 69 -6.932 7.447 -5.067 1.00 0.21 N ATOM 658 CA SER A 69 -7.223 7.071 -6.468 1.00 0.22 C ATOM 659 C SER A 69 -8.705 7.160 -6.778 1.00 0.23 C ATOM 660 O SER A 69 -9.509 6.734 -5.953 1.00 0.22 O ATOM 661 CB SER A 69 -6.822 5.617 -6.734 1.00 0.24 C ATOM 662 OG SER A 69 -6.960 5.312 -8.110 1.00 0.34 O ATOM 0 H SER A 69 -7.733 7.348 -4.443 1.00 0.21 H new ATOM 0 HA SER A 69 -6.657 7.766 -7.089 1.00 0.22 H new ATOM 0 HB2 SER A 69 -5.791 5.454 -6.420 1.00 0.24 H new ATOM 0 HB3 SER A 69 -7.445 4.947 -6.142 1.00 0.24 H new ATOM 0 HG SER A 69 -6.862 4.346 -8.242 1.00 0.34 H new ATOM 668 N GLU A 70 -9.082 7.648 -7.967 1.00 0.28 N ATOM 669 CA GLU A 70 -10.478 7.819 -8.384 1.00 0.32 C ATOM 670 C GLU A 70 -11.293 6.509 -8.361 1.00 0.34 C ATOM 671 O GLU A 70 -12.511 6.534 -8.207 1.00 0.51 O ATOM 672 CB GLU A 70 -10.501 8.554 -9.732 1.00 0.50 C ATOM 673 CG GLU A 70 -10.269 7.667 -10.958 1.00 1.99 C ATOM 674 CD GLU A 70 -10.040 8.506 -12.225 1.00 2.35 C ATOM 675 OE1 GLU A 70 -11.003 8.755 -12.992 1.00 2.47 O ATOM 676 OE2 GLU A 70 -8.880 8.924 -12.467 1.00 3.41 O ATOM 0 H GLU A 70 -8.412 7.940 -8.679 1.00 0.28 H new ATOM 0 HA GLU A 70 -10.996 8.436 -7.650 1.00 0.32 H new ATOM 0 HB2 GLU A 70 -11.464 9.052 -9.840 1.00 0.50 H new ATOM 0 HB3 GLU A 70 -9.739 9.333 -9.717 1.00 0.50 H new ATOM 0 HG2 GLU A 70 -9.406 7.024 -10.785 1.00 1.99 H new ATOM 0 HG3 GLU A 70 -11.129 7.014 -11.104 1.00 1.99 H new ATOM 683 N GLU A 71 -10.626 5.354 -8.417 1.00 0.29 N ATOM 684 CA GLU A 71 -11.261 4.033 -8.389 1.00 0.31 C ATOM 685 C GLU A 71 -11.867 3.623 -7.033 1.00 0.29 C ATOM 686 O GLU A 71 -12.632 2.655 -6.978 1.00 0.39 O ATOM 687 CB GLU A 71 -10.242 2.995 -8.865 1.00 0.34 C ATOM 688 CG GLU A 71 -9.269 2.588 -7.754 1.00 0.25 C ATOM 689 CD GLU A 71 -8.014 1.990 -8.391 1.00 0.36 C ATOM 690 OE1 GLU A 71 -7.012 2.724 -8.556 1.00 1.50 O ATOM 691 OE2 GLU A 71 -8.076 0.816 -8.832 1.00 1.80 O ATOM 0 H GLU A 71 -9.609 5.309 -8.484 1.00 0.29 H new ATOM 0 HA GLU A 71 -12.120 4.086 -9.058 1.00 0.31 H new ATOM 0 HB2 GLU A 71 -10.768 2.111 -9.227 1.00 0.34 H new ATOM 0 HB3 GLU A 71 -9.681 3.399 -9.707 1.00 0.34 H new ATOM 0 HG2 GLU A 71 -9.007 3.454 -7.146 1.00 0.25 H new ATOM 0 HG3 GLU A 71 -9.737 1.862 -7.090 1.00 0.25 H new ATOM 698 N PHE A 72 -11.516 4.309 -5.938 1.00 0.24 N ATOM 699 CA PHE A 72 -11.878 3.919 -4.566 1.00 0.24 C ATOM 700 C PHE A 72 -13.242 4.457 -4.055 1.00 0.29 C ATOM 701 O PHE A 72 -13.538 4.344 -2.863 1.00 0.34 O ATOM 702 CB PHE A 72 -10.710 4.333 -3.654 1.00 0.21 C ATOM 703 CG PHE A 72 -9.485 3.442 -3.593 1.00 0.19 C ATOM 704 CD1 PHE A 72 -8.218 4.051 -3.525 1.00 1.56 C ATOM 705 CD2 PHE A 72 -9.593 2.042 -3.461 1.00 1.62 C ATOM 706 CE1 PHE A 72 -7.068 3.271 -3.326 1.00 1.56 C ATOM 707 CE2 PHE A 72 -8.443 1.259 -3.263 1.00 1.62 C ATOM 708 CZ PHE A 72 -7.184 1.879 -3.194 1.00 0.19 C ATOM 0 H PHE A 72 -10.963 5.165 -5.979 1.00 0.24 H new ATOM 0 HA PHE A 72 -12.033 2.840 -4.553 1.00 0.24 H new ATOM 0 HB2 PHE A 72 -10.382 5.325 -3.966 1.00 0.21 H new ATOM 0 HB3 PHE A 72 -11.100 4.430 -2.641 1.00 0.21 H new ATOM 0 HD1 PHE A 72 -8.130 5.123 -3.626 1.00 1.56 H new ATOM 0 HD2 PHE A 72 -10.563 1.570 -3.512 1.00 1.62 H new ATOM 0 HE1 PHE A 72 -6.097 3.741 -3.275 1.00 1.56 H new ATOM 0 HE2 PHE A 72 -8.526 0.187 -3.164 1.00 1.62 H new ATOM 0 HZ PHE A 72 -6.299 1.280 -3.038 1.00 0.19 H new ATOM 718 N LYS A 73 -14.073 5.040 -4.930 1.00 0.34 N ATOM 719 CA LYS A 73 -15.261 5.868 -4.596 1.00 0.47 C ATOM 720 C LYS A 73 -16.379 5.145 -3.842 1.00 0.78 C ATOM 721 O LYS A 73 -16.914 5.687 -2.875 1.00 1.15 O ATOM 722 CB LYS A 73 -15.832 6.547 -5.862 1.00 0.51 C ATOM 723 CG LYS A 73 -15.861 5.618 -7.083 1.00 0.69 C ATOM 724 CD LYS A 73 -16.867 6.031 -8.158 1.00 1.06 C ATOM 725 CE LYS A 73 -16.552 5.148 -9.367 1.00 1.30 C ATOM 726 NZ LYS A 73 -17.709 4.972 -10.267 1.00 2.33 N ATOM 0 H LYS A 73 -13.938 4.949 -5.937 1.00 0.34 H new ATOM 0 HA LYS A 73 -14.881 6.615 -3.899 1.00 0.47 H new ATOM 0 HB2 LYS A 73 -16.844 6.896 -5.655 1.00 0.51 H new ATOM 0 HB3 LYS A 73 -15.233 7.427 -6.097 1.00 0.51 H new ATOM 0 HG2 LYS A 73 -14.865 5.586 -7.525 1.00 0.69 H new ATOM 0 HG3 LYS A 73 -16.095 4.606 -6.751 1.00 0.69 H new ATOM 0 HD2 LYS A 73 -17.891 5.880 -7.817 1.00 1.06 H new ATOM 0 HD3 LYS A 73 -16.766 7.088 -8.406 1.00 1.06 H new ATOM 0 HE2 LYS A 73 -15.726 5.588 -9.927 1.00 1.30 H new ATOM 0 HE3 LYS A 73 -16.217 4.171 -9.019 1.00 1.30 H new ATOM 0 HZ1 LYS A 73 -17.437 4.366 -11.067 1.00 2.33 H new ATOM 0 HZ2 LYS A 73 -18.490 4.527 -9.745 1.00 2.33 H new ATOM 0 HZ3 LYS A 73 -18.015 5.900 -10.624 1.00 2.33 H new ATOM 740 N GLU A 74 -16.746 3.954 -4.296 1.00 0.88 N ATOM 741 CA GLU A 74 -17.939 3.211 -3.868 1.00 1.26 C ATOM 742 C GLU A 74 -17.587 2.103 -2.848 1.00 1.29 C ATOM 743 O GLU A 74 -18.463 1.548 -2.174 1.00 2.35 O ATOM 744 CB GLU A 74 -18.632 2.718 -5.156 1.00 1.47 C ATOM 745 CG GLU A 74 -20.038 2.143 -4.965 1.00 3.12 C ATOM 746 CD GLU A 74 -20.673 1.802 -6.320 1.00 3.56 C ATOM 747 OE1 GLU A 74 -20.657 0.614 -6.724 1.00 3.87 O ATOM 748 OE2 GLU A 74 -21.225 2.704 -7.002 1.00 4.41 O ATOM 0 H GLU A 74 -16.204 3.454 -5.000 1.00 0.88 H new ATOM 0 HA GLU A 74 -18.638 3.839 -3.316 1.00 1.26 H new ATOM 0 HB2 GLU A 74 -18.690 3.549 -5.858 1.00 1.47 H new ATOM 0 HB3 GLU A 74 -18.005 1.955 -5.617 1.00 1.47 H new ATOM 0 HG2 GLU A 74 -19.989 1.248 -4.345 1.00 3.12 H new ATOM 0 HG3 GLU A 74 -20.662 2.863 -4.436 1.00 3.12 H new ATOM 755 N LYS A 75 -16.284 1.830 -2.685 1.00 0.43 N ATOM 756 CA LYS A 75 -15.693 0.909 -1.703 1.00 0.40 C ATOM 757 C LYS A 75 -15.911 1.369 -0.263 1.00 0.46 C ATOM 758 O LYS A 75 -15.763 2.552 0.052 1.00 0.55 O ATOM 759 CB LYS A 75 -14.176 0.775 -1.963 1.00 0.36 C ATOM 760 CG LYS A 75 -13.792 0.233 -3.346 1.00 0.40 C ATOM 761 CD LYS A 75 -14.223 -1.224 -3.565 1.00 0.51 C ATOM 762 CE LYS A 75 -14.573 -1.453 -5.037 1.00 0.76 C ATOM 763 NZ LYS A 75 -15.300 -2.731 -5.204 1.00 1.52 N ATOM 0 H LYS A 75 -15.574 2.272 -3.269 1.00 0.43 H new ATOM 0 HA LYS A 75 -16.193 -0.052 -1.825 1.00 0.40 H new ATOM 0 HB2 LYS A 75 -13.714 1.754 -1.834 1.00 0.36 H new ATOM 0 HB3 LYS A 75 -13.751 0.119 -1.203 1.00 0.36 H new ATOM 0 HG2 LYS A 75 -14.247 0.859 -4.114 1.00 0.40 H new ATOM 0 HG3 LYS A 75 -12.712 0.309 -3.472 1.00 0.40 H new ATOM 0 HD2 LYS A 75 -13.421 -1.898 -3.265 1.00 0.51 H new ATOM 0 HD3 LYS A 75 -15.084 -1.455 -2.938 1.00 0.51 H new ATOM 0 HE2 LYS A 75 -15.185 -0.629 -5.404 1.00 0.76 H new ATOM 0 HE3 LYS A 75 -13.662 -1.465 -5.636 1.00 0.76 H new ATOM 0 HZ1 LYS A 75 -15.530 -2.871 -6.209 1.00 1.52 H new ATOM 0 HZ2 LYS A 75 -14.703 -3.516 -4.873 1.00 1.52 H new ATOM 0 HZ3 LYS A 75 -16.179 -2.706 -4.648 1.00 1.52 H new ATOM 777 N ARG A 76 -16.144 0.415 0.646 1.00 0.48 N ATOM 778 CA ARG A 76 -15.946 0.616 2.063 1.00 0.52 C ATOM 779 C ARG A 76 -14.473 0.788 2.390 1.00 0.44 C ATOM 780 O ARG A 76 -13.621 0.361 1.615 1.00 0.33 O ATOM 781 CB ARG A 76 -16.454 -0.597 2.829 1.00 0.60 C ATOM 782 CG ARG A 76 -17.793 -1.199 2.381 1.00 0.76 C ATOM 783 CD ARG A 76 -18.549 -1.751 3.596 1.00 1.38 C ATOM 784 NE ARG A 76 -19.794 -2.416 3.196 1.00 1.66 N ATOM 785 CZ ARG A 76 -20.895 -1.849 2.741 1.00 2.11 C ATOM 786 NH1 ARG A 76 -21.050 -0.562 2.631 1.00 3.22 N ATOM 787 NH2 ARG A 76 -21.892 -2.586 2.366 1.00 2.57 N ATOM 0 H ARG A 76 -16.477 -0.519 0.405 1.00 0.48 H new ATOM 0 HA ARG A 76 -16.491 1.515 2.349 1.00 0.52 H new ATOM 0 HB2 ARG A 76 -15.695 -1.377 2.768 1.00 0.60 H new ATOM 0 HB3 ARG A 76 -16.543 -0.320 3.880 1.00 0.60 H new ATOM 0 HG2 ARG A 76 -18.394 -0.439 1.882 1.00 0.76 H new ATOM 0 HG3 ARG A 76 -17.620 -1.995 1.657 1.00 0.76 H new ATOM 0 HD2 ARG A 76 -17.914 -2.457 4.132 1.00 1.38 H new ATOM 0 HD3 ARG A 76 -18.775 -0.938 4.286 1.00 1.38 H new ATOM 0 HE ARG A 76 -19.810 -3.432 3.279 1.00 1.66 H new ATOM 0 HH11 ARG A 76 -20.295 0.068 2.904 1.00 3.22 H new ATOM 0 HH12 ARG A 76 -21.926 -0.183 2.272 1.00 3.22 H new ATOM 0 HH21 ARG A 76 -21.825 -3.602 2.423 1.00 2.57 H new ATOM 0 HH22 ARG A 76 -22.744 -2.150 2.014 1.00 2.57 H new ATOM 801 N THR A 77 -14.173 1.248 3.591 1.00 0.51 N ATOM 802 CA THR A 77 -12.809 1.329 4.128 1.00 0.50 C ATOM 803 C THR A 77 -12.014 0.027 3.999 1.00 0.45 C ATOM 804 O THR A 77 -10.928 0.005 3.418 1.00 0.42 O ATOM 805 CB THR A 77 -12.910 1.755 5.588 1.00 0.62 C ATOM 806 OG1 THR A 77 -13.641 2.962 5.657 1.00 0.68 O ATOM 807 CG2 THR A 77 -11.554 1.989 6.250 1.00 0.74 C ATOM 0 H THR A 77 -14.881 1.586 4.243 1.00 0.51 H new ATOM 0 HA THR A 77 -12.255 2.058 3.537 1.00 0.50 H new ATOM 0 HB THR A 77 -13.399 0.939 6.121 1.00 0.62 H new ATOM 0 HG1 THR A 77 -13.715 3.247 6.592 1.00 0.68 H new ATOM 0 HG21 THR A 77 -11.702 2.289 7.287 1.00 0.74 H new ATOM 0 HG22 THR A 77 -10.970 1.069 6.219 1.00 0.74 H new ATOM 0 HG23 THR A 77 -11.020 2.776 5.717 1.00 0.74 H new ATOM 815 N VAL A 78 -12.594 -1.089 4.437 1.00 0.47 N ATOM 816 CA VAL A 78 -12.007 -2.432 4.267 1.00 0.46 C ATOM 817 C VAL A 78 -11.858 -2.833 2.794 1.00 0.37 C ATOM 818 O VAL A 78 -10.838 -3.407 2.410 1.00 0.37 O ATOM 819 CB VAL A 78 -12.830 -3.466 5.055 1.00 0.56 C ATOM 820 CG1 VAL A 78 -14.279 -3.545 4.567 1.00 0.57 C ATOM 821 CG2 VAL A 78 -12.195 -4.860 5.025 1.00 0.67 C ATOM 0 H VAL A 78 -13.490 -1.095 4.924 1.00 0.47 H new ATOM 0 HA VAL A 78 -10.995 -2.404 4.670 1.00 0.46 H new ATOM 0 HB VAL A 78 -12.834 -3.115 6.087 1.00 0.56 H new ATOM 0 HG11 VAL A 78 -14.820 -4.288 5.153 1.00 0.57 H new ATOM 0 HG12 VAL A 78 -14.756 -2.572 4.685 1.00 0.57 H new ATOM 0 HG13 VAL A 78 -14.294 -3.831 3.515 1.00 0.57 H new ATOM 0 HG21 VAL A 78 -12.813 -5.554 5.595 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -12.121 -5.204 3.993 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -11.199 -4.816 5.465 1.00 0.67 H new ATOM 831 N GLN A 79 -12.831 -2.481 1.944 1.00 0.34 N ATOM 832 CA GLN A 79 -12.783 -2.809 0.510 1.00 0.30 C ATOM 833 C GLN A 79 -11.799 -1.918 -0.272 1.00 0.28 C ATOM 834 O GLN A 79 -11.324 -2.323 -1.329 1.00 0.49 O ATOM 835 CB GLN A 79 -14.193 -2.838 -0.117 1.00 0.37 C ATOM 836 CG GLN A 79 -15.164 -3.763 0.639 1.00 0.65 C ATOM 837 CD GLN A 79 -16.186 -4.466 -0.254 1.00 0.96 C ATOM 838 OE1 GLN A 79 -16.166 -5.680 -0.417 1.00 1.43 O ATOM 839 NE2 GLN A 79 -17.135 -3.771 -0.843 1.00 0.98 N ATOM 0 H GLN A 79 -13.666 -1.966 2.225 1.00 0.34 H new ATOM 0 HA GLN A 79 -12.385 -3.821 0.432 1.00 0.30 H new ATOM 0 HB2 GLN A 79 -14.600 -1.827 -0.132 1.00 0.37 H new ATOM 0 HB3 GLN A 79 -14.118 -3.167 -1.153 1.00 0.37 H new ATOM 0 HG2 GLN A 79 -14.587 -4.517 1.174 1.00 0.65 H new ATOM 0 HG3 GLN A 79 -15.696 -3.177 1.389 1.00 0.65 H new ATOM 0 HE21 GLN A 79 -17.175 -2.759 -0.724 1.00 0.98 H new ATOM 0 HE22 GLN A 79 -17.831 -4.244 -1.419 1.00 0.98 H new ATOM 848 N GLN A 80 -11.420 -0.748 0.261 1.00 0.21 N ATOM 849 CA GLN A 80 -10.249 0.004 -0.199 1.00 0.19 C ATOM 850 C GLN A 80 -8.962 -0.736 0.206 1.00 0.18 C ATOM 851 O GLN A 80 -8.158 -1.067 -0.664 1.00 0.21 O ATOM 852 CB GLN A 80 -10.255 1.449 0.337 1.00 0.24 C ATOM 853 CG GLN A 80 -11.411 2.324 -0.180 1.00 0.25 C ATOM 854 CD GLN A 80 -11.398 3.750 0.378 1.00 0.34 C ATOM 855 OE1 GLN A 80 -10.653 4.090 1.295 1.00 0.31 O ATOM 856 NE2 GLN A 80 -12.209 4.633 -0.159 1.00 0.66 N ATOM 0 H GLN A 80 -11.921 -0.297 1.026 1.00 0.21 H new ATOM 0 HA GLN A 80 -10.288 0.070 -1.286 1.00 0.19 H new ATOM 0 HB2 GLN A 80 -10.300 1.418 1.426 1.00 0.24 H new ATOM 0 HB3 GLN A 80 -9.311 1.924 0.071 1.00 0.24 H new ATOM 0 HG2 GLN A 80 -11.364 2.368 -1.268 1.00 0.25 H new ATOM 0 HG3 GLN A 80 -12.358 1.850 0.079 1.00 0.25 H new ATOM 0 HE21 GLN A 80 -12.830 4.358 -0.920 1.00 0.66 H new ATOM 0 HE22 GLN A 80 -12.218 5.593 0.185 1.00 0.66 H new ATOM 865 N HIS A 81 -8.789 -1.065 1.498 1.00 0.21 N ATOM 866 CA HIS A 81 -7.599 -1.763 2.014 1.00 0.24 C ATOM 867 C HIS A 81 -7.287 -3.063 1.255 1.00 0.23 C ATOM 868 O HIS A 81 -6.145 -3.248 0.831 1.00 0.25 O ATOM 869 CB HIS A 81 -7.752 -2.048 3.522 1.00 0.30 C ATOM 870 CG HIS A 81 -7.663 -0.836 4.421 1.00 0.42 C ATOM 871 ND1 HIS A 81 -8.220 -0.702 5.676 1.00 0.58 N ATOM 872 CD2 HIS A 81 -6.939 0.302 4.189 1.00 0.46 C ATOM 873 CE1 HIS A 81 -7.879 0.499 6.166 1.00 0.66 C ATOM 874 NE2 HIS A 81 -7.083 1.142 5.294 1.00 0.59 N ATOM 0 H HIS A 81 -9.478 -0.852 2.220 1.00 0.21 H new ATOM 0 HA HIS A 81 -6.753 -1.095 1.853 1.00 0.24 H new ATOM 0 HB2 HIS A 81 -8.714 -2.533 3.688 1.00 0.30 H new ATOM 0 HB3 HIS A 81 -6.981 -2.759 3.821 1.00 0.30 H new ATOM 0 HD2 HIS A 81 -6.357 0.513 3.304 1.00 0.46 H new ATOM 0 HE1 HIS A 81 -8.197 0.892 7.120 1.00 0.66 H new ATOM 0 HE2 HIS A 81 -6.665 2.065 5.416 1.00 0.59 H new ATOM 882 N GLN A 82 -8.278 -3.934 1.034 1.00 0.23 N ATOM 883 CA GLN A 82 -8.155 -5.211 0.324 1.00 0.24 C ATOM 884 C GLN A 82 -7.401 -5.099 -1.013 1.00 0.23 C ATOM 885 O GLN A 82 -6.530 -5.931 -1.274 1.00 0.25 O ATOM 886 CB GLN A 82 -9.569 -5.789 0.118 1.00 0.32 C ATOM 887 CG GLN A 82 -9.622 -7.065 -0.750 1.00 0.37 C ATOM 888 CD GLN A 82 -8.896 -8.268 -0.153 1.00 0.73 C ATOM 889 OE1 GLN A 82 -8.690 -8.367 1.051 1.00 1.18 O ATOM 890 NE2 GLN A 82 -8.494 -9.236 -0.947 1.00 0.85 N ATOM 0 H GLN A 82 -9.229 -3.760 1.360 1.00 0.23 H new ATOM 0 HA GLN A 82 -7.552 -5.882 0.935 1.00 0.24 H new ATOM 0 HB2 GLN A 82 -10.002 -6.011 1.093 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -10.196 -5.026 -0.343 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -10.665 -7.333 -0.917 1.00 0.37 H new ATOM 0 HG3 GLN A 82 -9.190 -6.843 -1.726 1.00 0.37 H new ATOM 0 HE21 GLN A 82 -8.656 -9.172 -1.952 1.00 0.85 H new ATOM 0 HE22 GLN A 82 -8.020 -10.051 -0.558 1.00 0.85 H new ATOM 899 N MET A 83 -7.674 -4.070 -1.827 1.00 0.22 N ATOM 900 CA MET A 83 -7.024 -3.895 -3.137 1.00 0.23 C ATOM 901 C MET A 83 -5.524 -3.590 -2.993 1.00 0.23 C ATOM 902 O MET A 83 -4.696 -4.108 -3.746 1.00 0.27 O ATOM 903 CB MET A 83 -7.711 -2.776 -3.944 1.00 0.28 C ATOM 904 CG MET A 83 -9.239 -2.910 -4.033 1.00 0.24 C ATOM 905 SD MET A 83 -9.977 -2.564 -5.657 1.00 1.31 S ATOM 906 CE MET A 83 -9.548 -0.821 -5.869 1.00 0.42 C ATOM 0 H MET A 83 -8.347 -3.338 -1.600 1.00 0.22 H new ATOM 0 HA MET A 83 -7.128 -4.838 -3.675 1.00 0.23 H new ATOM 0 HB2 MET A 83 -7.468 -1.815 -3.491 1.00 0.28 H new ATOM 0 HB3 MET A 83 -7.299 -2.766 -4.953 1.00 0.28 H new ATOM 0 HG2 MET A 83 -9.512 -3.924 -3.741 1.00 0.24 H new ATOM 0 HG3 MET A 83 -9.686 -2.236 -3.302 1.00 0.24 H new ATOM 0 HE1 MET A 83 -9.758 -0.517 -6.894 1.00 0.42 H new ATOM 0 HE2 MET A 83 -10.139 -0.215 -5.182 1.00 0.42 H new ATOM 0 HE3 MET A 83 -8.488 -0.679 -5.658 1.00 0.42 H new ATOM 916 N VAL A 84 -5.168 -2.766 -2.000 1.00 0.21 N ATOM 917 CA VAL A 84 -3.786 -2.353 -1.678 1.00 0.23 C ATOM 918 C VAL A 84 -3.014 -3.508 -1.028 1.00 0.26 C ATOM 919 O VAL A 84 -1.829 -3.679 -1.283 1.00 0.35 O ATOM 920 CB VAL A 84 -3.783 -1.130 -0.730 1.00 0.22 C ATOM 921 CG1 VAL A 84 -2.441 -0.394 -0.698 1.00 0.24 C ATOM 922 CG2 VAL A 84 -4.831 -0.078 -1.078 1.00 0.22 C ATOM 0 H VAL A 84 -5.856 -2.350 -1.372 1.00 0.21 H new ATOM 0 HA VAL A 84 -3.296 -2.077 -2.612 1.00 0.23 H new ATOM 0 HB VAL A 84 -4.004 -1.579 0.238 1.00 0.22 H new ATOM 0 HG11 VAL A 84 -2.507 0.453 -0.015 1.00 0.24 H new ATOM 0 HG12 VAL A 84 -1.661 -1.075 -0.358 1.00 0.24 H new ATOM 0 HG13 VAL A 84 -2.199 -0.035 -1.698 1.00 0.24 H new ATOM 0 HG21 VAL A 84 -4.767 0.748 -0.369 1.00 0.22 H new ATOM 0 HG22 VAL A 84 -4.652 0.295 -2.086 1.00 0.22 H new ATOM 0 HG23 VAL A 84 -5.825 -0.523 -1.027 1.00 0.22 H new ATOM 932 N ASN A 85 -3.707 -4.341 -0.243 1.00 0.25 N ATOM 933 CA ASN A 85 -3.205 -5.579 0.358 1.00 0.27 C ATOM 934 C ASN A 85 -2.828 -6.598 -0.737 1.00 0.29 C ATOM 935 O ASN A 85 -1.712 -7.109 -0.781 1.00 0.31 O ATOM 936 CB ASN A 85 -4.296 -6.141 1.304 1.00 0.29 C ATOM 937 CG ASN A 85 -4.260 -5.632 2.728 1.00 0.33 C ATOM 938 OD1 ASN A 85 -3.947 -6.343 3.677 1.00 0.45 O ATOM 939 ND2 ASN A 85 -4.674 -4.405 2.907 1.00 0.30 N ATOM 0 H ASN A 85 -4.681 -4.160 0.001 1.00 0.25 H new ATOM 0 HA ASN A 85 -2.301 -5.378 0.932 1.00 0.27 H new ATOM 0 HB2 ASN A 85 -5.273 -5.908 0.880 1.00 0.29 H new ATOM 0 HB3 ASN A 85 -4.208 -7.227 1.324 1.00 0.29 H new ATOM 0 HD21 ASN A 85 -4.742 -4.022 3.850 1.00 0.30 H new ATOM 0 HD22 ASN A 85 -4.929 -3.831 2.104 1.00 0.30 H new ATOM 946 N GLN A 86 -3.719 -6.865 -1.694 1.00 0.31 N ATOM 947 CA GLN A 86 -3.515 -7.828 -2.758 1.00 0.32 C ATOM 948 C GLN A 86 -2.405 -7.450 -3.738 1.00 0.32 C ATOM 949 O GLN A 86 -1.845 -8.321 -4.395 1.00 0.39 O ATOM 950 CB GLN A 86 -4.864 -7.842 -3.464 1.00 0.41 C ATOM 951 CG GLN A 86 -5.086 -9.086 -4.292 1.00 1.14 C ATOM 952 CD GLN A 86 -5.059 -10.395 -3.500 1.00 1.04 C ATOM 953 OE1 GLN A 86 -5.300 -10.433 -2.299 1.00 2.38 O ATOM 954 NE2 GLN A 86 -4.759 -11.512 -4.123 1.00 1.54 N ATOM 0 H GLN A 86 -4.625 -6.400 -1.744 1.00 0.31 H new ATOM 0 HA GLN A 86 -3.194 -8.792 -2.362 1.00 0.32 H new ATOM 0 HB2 GLN A 86 -5.657 -7.761 -2.721 1.00 0.41 H new ATOM 0 HB3 GLN A 86 -4.940 -6.966 -4.108 1.00 0.41 H new ATOM 0 HG2 GLN A 86 -6.048 -9.003 -4.797 1.00 1.14 H new ATOM 0 HG3 GLN A 86 -4.322 -9.131 -5.068 1.00 1.14 H new ATOM 0 HE21 GLN A 86 -4.555 -11.500 -5.122 1.00 1.54 H new ATOM 0 HE22 GLN A 86 -4.730 -12.392 -3.607 1.00 1.54 H new ATOM 963 N ALA A 87 -2.062 -6.166 -3.812 1.00 0.30 N ATOM 964 CA ALA A 87 -0.981 -5.671 -4.659 1.00 0.31 C ATOM 965 C ALA A 87 0.364 -6.321 -4.297 1.00 0.29 C ATOM 966 O ALA A 87 1.118 -6.715 -5.186 1.00 0.44 O ATOM 967 CB ALA A 87 -0.917 -4.142 -4.543 1.00 0.37 C ATOM 0 H ALA A 87 -2.532 -5.433 -3.280 1.00 0.30 H new ATOM 0 HA ALA A 87 -1.186 -5.943 -5.694 1.00 0.31 H new ATOM 0 HB1 ALA A 87 -0.112 -3.763 -5.173 1.00 0.37 H new ATOM 0 HB2 ALA A 87 -1.865 -3.712 -4.868 1.00 0.37 H new ATOM 0 HB3 ALA A 87 -0.729 -3.863 -3.506 1.00 0.37 H new ATOM 973 N LEU A 88 0.636 -6.496 -2.999 1.00 0.22 N ATOM 974 CA LEU A 88 1.918 -7.026 -2.511 1.00 0.24 C ATOM 975 C LEU A 88 1.821 -8.281 -1.650 1.00 0.25 C ATOM 976 O LEU A 88 2.853 -8.798 -1.225 1.00 0.35 O ATOM 977 CB LEU A 88 2.761 -5.900 -1.903 1.00 0.28 C ATOM 978 CG LEU A 88 2.467 -5.403 -0.469 1.00 0.28 C ATOM 979 CD1 LEU A 88 0.989 -5.235 -0.136 1.00 0.31 C ATOM 980 CD2 LEU A 88 3.134 -6.277 0.589 1.00 0.30 C ATOM 0 H LEU A 88 -0.026 -6.275 -2.255 1.00 0.22 H new ATOM 0 HA LEU A 88 2.452 -7.403 -3.383 1.00 0.24 H new ATOM 0 HB2 LEU A 88 3.801 -6.225 -1.927 1.00 0.28 H new ATOM 0 HB3 LEU A 88 2.680 -5.040 -2.567 1.00 0.28 H new ATOM 0 HG LEU A 88 2.903 -4.404 -0.449 1.00 0.28 H new ATOM 0 HD11 LEU A 88 0.885 -4.883 0.890 1.00 0.31 H new ATOM 0 HD12 LEU A 88 0.543 -4.509 -0.815 1.00 0.31 H new ATOM 0 HD13 LEU A 88 0.480 -6.193 -0.245 1.00 0.31 H new ATOM 0 HD21 LEU A 88 2.900 -5.890 1.581 1.00 0.30 H new ATOM 0 HD22 LEU A 88 2.765 -7.299 0.502 1.00 0.30 H new ATOM 0 HD23 LEU A 88 4.214 -6.267 0.441 1.00 0.30 H new ATOM 992 N LYS A 89 0.611 -8.825 -1.482 1.00 0.25 N ATOM 993 CA LYS A 89 0.336 -10.078 -0.783 1.00 0.31 C ATOM 994 C LYS A 89 1.326 -11.165 -1.160 1.00 0.39 C ATOM 995 O LYS A 89 1.835 -11.864 -0.293 1.00 0.51 O ATOM 996 CB LYS A 89 -1.103 -10.516 -1.079 1.00 0.46 C ATOM 997 CG LYS A 89 -1.307 -11.933 -0.525 1.00 0.51 C ATOM 998 CD LYS A 89 -2.772 -12.335 -0.399 1.00 0.92 C ATOM 999 CE LYS A 89 -3.426 -11.744 0.853 1.00 1.69 C ATOM 1000 NZ LYS A 89 -4.743 -12.372 1.123 1.00 1.93 N ATOM 0 H LYS A 89 -0.235 -8.385 -1.845 1.00 0.25 H new ATOM 0 HA LYS A 89 0.450 -9.910 0.288 1.00 0.31 H new ATOM 0 HB2 LYS A 89 -1.811 -9.825 -0.621 1.00 0.46 H new ATOM 0 HB3 LYS A 89 -1.290 -10.499 -2.153 1.00 0.46 H new ATOM 0 HG2 LYS A 89 -0.798 -12.645 -1.175 1.00 0.51 H new ATOM 0 HG3 LYS A 89 -0.834 -12.002 0.455 1.00 0.51 H new ATOM 0 HD2 LYS A 89 -3.316 -12.002 -1.283 1.00 0.92 H new ATOM 0 HD3 LYS A 89 -2.848 -13.422 -0.368 1.00 0.92 H new ATOM 0 HE2 LYS A 89 -2.769 -11.888 1.711 1.00 1.69 H new ATOM 0 HE3 LYS A 89 -3.553 -10.669 0.726 1.00 1.69 H new ATOM 0 HZ1 LYS A 89 -5.160 -11.950 1.977 1.00 1.93 H new ATOM 0 HZ2 LYS A 89 -5.376 -12.213 0.313 1.00 1.93 H new ATOM 0 HZ3 LYS A 89 -4.617 -13.394 1.268 1.00 1.93 H new ATOM 1014 N GLU A 90 1.591 -11.302 -2.453 1.00 0.47 N ATOM 1015 CA GLU A 90 2.379 -12.401 -2.953 1.00 0.68 C ATOM 1016 C GLU A 90 3.904 -12.145 -2.873 1.00 0.72 C ATOM 1017 O GLU A 90 4.701 -13.039 -3.165 1.00 0.94 O ATOM 1018 CB GLU A 90 1.879 -12.710 -4.369 1.00 0.81 C ATOM 1019 CG GLU A 90 0.734 -13.737 -4.378 1.00 1.18 C ATOM 1020 CD GLU A 90 0.352 -14.181 -5.798 1.00 1.55 C ATOM 1021 OE1 GLU A 90 -0.402 -13.453 -6.489 1.00 1.55 O ATOM 1022 OE2 GLU A 90 0.762 -15.288 -6.227 1.00 3.05 O ATOM 0 H GLU A 90 1.265 -10.656 -3.172 1.00 0.47 H new ATOM 0 HA GLU A 90 2.244 -13.277 -2.319 1.00 0.68 H new ATOM 0 HB2 GLU A 90 1.539 -11.788 -4.840 1.00 0.81 H new ATOM 0 HB3 GLU A 90 2.707 -13.088 -4.969 1.00 0.81 H new ATOM 0 HG2 GLU A 90 1.029 -14.610 -3.795 1.00 1.18 H new ATOM 0 HG3 GLU A 90 -0.139 -13.307 -3.888 1.00 1.18 H new ATOM 1029 N GLU A 91 4.333 -10.936 -2.485 1.00 0.60 N ATOM 1030 CA GLU A 91 5.710 -10.526 -2.239 1.00 0.64 C ATOM 1031 C GLU A 91 6.060 -10.560 -0.737 1.00 0.66 C ATOM 1032 O GLU A 91 7.011 -11.234 -0.329 1.00 0.75 O ATOM 1033 CB GLU A 91 5.865 -9.088 -2.760 1.00 0.68 C ATOM 1034 CG GLU A 91 5.855 -8.862 -4.276 1.00 0.82 C ATOM 1035 CD GLU A 91 6.712 -9.841 -5.089 1.00 1.18 C ATOM 1036 OE1 GLU A 91 7.954 -9.881 -4.904 1.00 1.90 O ATOM 1037 OE2 GLU A 91 6.143 -10.573 -5.934 1.00 2.21 O ATOM 0 H GLU A 91 3.677 -10.171 -2.326 1.00 0.60 H new ATOM 0 HA GLU A 91 6.383 -11.216 -2.748 1.00 0.64 H new ATOM 0 HB2 GLU A 91 5.063 -8.489 -2.329 1.00 0.68 H new ATOM 0 HB3 GLU A 91 6.803 -8.692 -2.370 1.00 0.68 H new ATOM 0 HG2 GLU A 91 4.826 -8.925 -4.630 1.00 0.82 H new ATOM 0 HG3 GLU A 91 6.200 -7.848 -4.478 1.00 0.82 H new ATOM 1044 N ILE A 92 5.292 -9.843 0.093 1.00 0.67 N ATOM 1045 CA ILE A 92 5.419 -9.805 1.559 1.00 0.72 C ATOM 1046 C ILE A 92 4.025 -9.976 2.151 1.00 0.68 C ATOM 1047 O ILE A 92 3.267 -9.024 2.341 1.00 0.95 O ATOM 1048 CB ILE A 92 6.117 -8.525 2.074 1.00 0.76 C ATOM 1049 CG1 ILE A 92 7.525 -8.425 1.446 1.00 0.93 C ATOM 1050 CG2 ILE A 92 6.180 -8.543 3.618 1.00 0.78 C ATOM 1051 CD1 ILE A 92 8.397 -7.302 2.009 1.00 1.18 C ATOM 0 H ILE A 92 4.536 -9.250 -0.249 1.00 0.67 H new ATOM 0 HA ILE A 92 6.067 -10.619 1.883 1.00 0.72 H new ATOM 0 HB ILE A 92 5.547 -7.644 1.779 1.00 0.76 H new ATOM 0 HG12 ILE A 92 8.041 -9.374 1.591 1.00 0.93 H new ATOM 0 HG13 ILE A 92 7.419 -8.280 0.371 1.00 0.93 H new ATOM 0 HG21 ILE A 92 6.673 -7.638 3.973 1.00 0.78 H new ATOM 0 HG22 ILE A 92 5.169 -8.588 4.023 1.00 0.78 H new ATOM 0 HG23 ILE A 92 6.742 -9.416 3.949 1.00 0.78 H new ATOM 0 HD11 ILE A 92 9.366 -7.308 1.509 1.00 1.18 H new ATOM 0 HD12 ILE A 92 7.908 -6.342 1.840 1.00 1.18 H new ATOM 0 HD13 ILE A 92 8.539 -7.454 3.079 1.00 1.18 H new ATOM 1063 N LYS A 93 3.678 -11.224 2.440 1.00 0.58 N ATOM 1064 CA LYS A 93 2.344 -11.602 2.870 1.00 0.59 C ATOM 1065 C LYS A 93 1.976 -11.110 4.278 1.00 0.61 C ATOM 1066 O LYS A 93 0.785 -11.066 4.591 1.00 0.59 O ATOM 1067 CB LYS A 93 2.243 -13.127 2.738 1.00 0.79 C ATOM 1068 CG LYS A 93 3.161 -13.909 3.696 1.00 1.65 C ATOM 1069 CD LYS A 93 2.886 -15.419 3.699 1.00 1.70 C ATOM 1070 CE LYS A 93 3.294 -16.052 2.366 1.00 2.43 C ATOM 1071 NZ LYS A 93 2.974 -17.495 2.311 1.00 2.63 N ATOM 0 H LYS A 93 4.326 -12.010 2.381 1.00 0.58 H new ATOM 0 HA LYS A 93 1.611 -11.108 2.232 1.00 0.59 H new ATOM 0 HB2 LYS A 93 1.211 -13.428 2.917 1.00 0.79 H new ATOM 0 HB3 LYS A 93 2.484 -13.408 1.713 1.00 0.79 H new ATOM 0 HG2 LYS A 93 4.200 -13.736 3.415 1.00 1.65 H new ATOM 0 HG3 LYS A 93 3.035 -13.521 4.707 1.00 1.65 H new ATOM 0 HD2 LYS A 93 3.436 -15.891 4.513 1.00 1.70 H new ATOM 0 HD3 LYS A 93 1.827 -15.599 3.883 1.00 1.70 H new ATOM 0 HE2 LYS A 93 2.785 -15.538 1.551 1.00 2.43 H new ATOM 0 HE3 LYS A 93 4.364 -15.913 2.212 1.00 2.43 H new ATOM 0 HZ1 LYS A 93 3.268 -17.881 1.391 1.00 2.63 H new ATOM 0 HZ2 LYS A 93 3.479 -17.992 3.072 1.00 2.63 H new ATOM 0 HZ3 LYS A 93 1.950 -17.628 2.431 1.00 2.63 H new ATOM 1085 N GLU A 94 2.954 -10.751 5.118 1.00 0.72 N ATOM 1086 CA GLU A 94 2.794 -10.476 6.565 1.00 0.72 C ATOM 1087 C GLU A 94 2.106 -9.140 6.939 1.00 0.67 C ATOM 1088 O GLU A 94 2.503 -8.431 7.865 1.00 0.83 O ATOM 1089 CB GLU A 94 4.087 -10.787 7.350 1.00 1.07 C ATOM 1090 CG GLU A 94 5.273 -9.830 7.160 1.00 2.02 C ATOM 1091 CD GLU A 94 6.540 -10.324 7.878 1.00 2.87 C ATOM 1092 OE1 GLU A 94 7.646 -10.158 7.313 1.00 3.97 O ATOM 1093 OE2 GLU A 94 6.459 -10.925 8.979 1.00 3.37 O ATOM 0 H GLU A 94 3.918 -10.638 4.804 1.00 0.72 H new ATOM 0 HA GLU A 94 2.043 -11.189 6.905 1.00 0.72 H new ATOM 0 HB2 GLU A 94 3.840 -10.811 8.411 1.00 1.07 H new ATOM 0 HB3 GLU A 94 4.415 -11.790 7.076 1.00 1.07 H new ATOM 0 HG2 GLU A 94 5.481 -9.719 6.096 1.00 2.02 H new ATOM 0 HG3 GLU A 94 5.005 -8.843 7.537 1.00 2.02 H new ATOM 1100 N MET A 95 1.019 -8.802 6.242 1.00 0.65 N ATOM 1101 CA MET A 95 0.297 -7.522 6.312 1.00 0.72 C ATOM 1102 C MET A 95 -0.405 -7.216 7.644 1.00 0.64 C ATOM 1103 O MET A 95 -0.919 -6.110 7.812 1.00 0.75 O ATOM 1104 CB MET A 95 -0.662 -7.412 5.120 1.00 0.90 C ATOM 1105 CG MET A 95 0.117 -7.334 3.800 1.00 1.15 C ATOM 1106 SD MET A 95 -0.923 -7.465 2.335 1.00 1.36 S ATOM 1107 CE MET A 95 -1.289 -9.234 2.390 1.00 1.34 C ATOM 0 H MET A 95 0.593 -9.447 5.576 1.00 0.65 H new ATOM 0 HA MET A 95 1.062 -6.747 6.257 1.00 0.72 H new ATOM 0 HB2 MET A 95 -1.329 -8.274 5.103 1.00 0.90 H new ATOM 0 HB3 MET A 95 -1.288 -6.526 5.231 1.00 0.90 H new ATOM 0 HG2 MET A 95 0.661 -6.390 3.765 1.00 1.15 H new ATOM 0 HG3 MET A 95 0.860 -8.131 3.779 1.00 1.15 H new ATOM 0 HE1 MET A 95 -1.824 -9.523 1.485 1.00 1.34 H new ATOM 0 HE2 MET A 95 -0.358 -9.796 2.456 1.00 1.34 H new ATOM 0 HE3 MET A 95 -1.907 -9.451 3.262 1.00 1.34 H new ATOM 1117 N HIS A 96 -0.305 -8.103 8.636 1.00 0.57 N ATOM 1118 CA HIS A 96 -0.493 -7.771 10.053 1.00 0.59 C ATOM 1119 C HIS A 96 0.525 -6.735 10.594 1.00 0.55 C ATOM 1120 O HIS A 96 0.390 -6.277 11.730 1.00 0.88 O ATOM 1121 CB HIS A 96 -0.519 -9.068 10.883 1.00 0.89 C ATOM 1122 CG HIS A 96 0.608 -10.049 10.637 1.00 2.02 C ATOM 1123 ND1 HIS A 96 0.603 -11.065 9.704 1.00 4.00 N ATOM 1124 CD2 HIS A 96 1.746 -10.202 11.386 1.00 2.06 C ATOM 1125 CE1 HIS A 96 1.697 -11.819 9.899 1.00 4.83 C ATOM 1126 NE2 HIS A 96 2.435 -11.327 10.909 1.00 3.65 N ATOM 0 H HIS A 96 -0.088 -9.087 8.477 1.00 0.57 H new ATOM 0 HA HIS A 96 -1.456 -7.270 10.150 1.00 0.59 H new ATOM 0 HB2 HIS A 96 -0.512 -8.798 11.939 1.00 0.89 H new ATOM 0 HB3 HIS A 96 -1.463 -9.578 10.691 1.00 0.89 H new ATOM 0 HD2 HIS A 96 2.058 -9.567 12.202 1.00 2.06 H new ATOM 0 HE1 HIS A 96 1.949 -12.698 9.324 1.00 4.83 H new ATOM 0 HE2 HIS A 96 3.319 -11.697 11.259 1.00 3.65 H new ATOM 1134 N GLY A 97 1.522 -6.331 9.795 1.00 0.40 N ATOM 1135 CA GLY A 97 2.411 -5.187 10.051 1.00 0.40 C ATOM 1136 C GLY A 97 2.129 -3.923 9.225 1.00 0.35 C ATOM 1137 O GLY A 97 2.657 -2.856 9.531 1.00 0.40 O ATOM 0 H GLY A 97 1.740 -6.809 8.921 1.00 0.40 H new ATOM 0 HA2 GLY A 97 2.345 -4.929 11.108 1.00 0.40 H new ATOM 0 HA3 GLY A 97 3.438 -5.500 9.862 1.00 0.40 H new ATOM 1141 N LEU A 98 1.343 -4.016 8.154 1.00 0.37 N ATOM 1142 CA LEU A 98 1.183 -2.927 7.181 1.00 0.40 C ATOM 1143 C LEU A 98 0.035 -1.986 7.565 1.00 0.45 C ATOM 1144 O LEU A 98 -1.110 -2.407 7.752 1.00 0.73 O ATOM 1145 CB LEU A 98 1.078 -3.478 5.756 1.00 0.52 C ATOM 1146 CG LEU A 98 2.494 -3.699 5.187 1.00 0.67 C ATOM 1147 CD1 LEU A 98 3.115 -5.040 5.542 1.00 1.56 C ATOM 1148 CD2 LEU A 98 2.470 -3.536 3.687 1.00 1.15 C ATOM 0 H LEU A 98 0.797 -4.848 7.932 1.00 0.37 H new ATOM 0 HA LEU A 98 2.081 -2.309 7.203 1.00 0.40 H new ATOM 0 HB2 LEU A 98 0.524 -4.417 5.757 1.00 0.52 H new ATOM 0 HB3 LEU A 98 0.525 -2.782 5.125 1.00 0.52 H new ATOM 0 HG LEU A 98 3.124 -2.943 5.656 1.00 0.67 H new ATOM 0 HD11 LEU A 98 4.109 -5.109 5.101 1.00 1.56 H new ATOM 0 HD12 LEU A 98 3.192 -5.130 6.626 1.00 1.56 H new ATOM 0 HD13 LEU A 98 2.490 -5.844 5.155 1.00 1.56 H new ATOM 0 HD21 LEU A 98 3.472 -3.693 3.288 1.00 1.15 H new ATOM 0 HD22 LEU A 98 1.788 -4.267 3.252 1.00 1.15 H new ATOM 0 HD23 LEU A 98 2.133 -2.530 3.436 1.00 1.15 H new ATOM 1160 N ARG A 99 0.364 -0.699 7.665 1.00 0.32 N ATOM 1161 CA ARG A 99 -0.517 0.414 8.050 1.00 0.32 C ATOM 1162 C ARG A 99 -0.924 1.214 6.811 1.00 0.31 C ATOM 1163 O ARG A 99 -0.127 1.991 6.283 1.00 0.33 O ATOM 1164 CB ARG A 99 0.186 1.263 9.118 1.00 0.32 C ATOM 1165 CG ARG A 99 -0.840 2.140 9.844 1.00 0.43 C ATOM 1166 CD ARG A 99 -0.124 3.103 10.784 1.00 0.54 C ATOM 1167 NE ARG A 99 -1.082 3.931 11.538 1.00 1.58 N ATOM 1168 CZ ARG A 99 -0.830 4.627 12.630 1.00 2.02 C ATOM 1169 NH1 ARG A 99 0.358 4.707 13.147 1.00 1.87 N ATOM 1170 NH2 ARG A 99 -1.786 5.255 13.243 1.00 3.12 N ATOM 0 H ARG A 99 1.313 -0.380 7.468 1.00 0.32 H new ATOM 0 HA ARG A 99 -1.442 0.041 8.489 1.00 0.32 H new ATOM 0 HB2 ARG A 99 0.695 0.616 9.832 1.00 0.32 H new ATOM 0 HB3 ARG A 99 0.949 1.888 8.654 1.00 0.32 H new ATOM 0 HG2 ARG A 99 -1.432 2.698 9.119 1.00 0.43 H new ATOM 0 HG3 ARG A 99 -1.532 1.515 10.408 1.00 0.43 H new ATOM 0 HD2 ARG A 99 0.498 2.540 11.479 1.00 0.54 H new ATOM 0 HD3 ARG A 99 0.542 3.747 10.210 1.00 0.54 H new ATOM 0 HE ARG A 99 -2.036 3.970 11.179 1.00 1.58 H new ATOM 0 HH11 ARG A 99 1.139 4.221 12.707 1.00 1.87 H new ATOM 0 HH12 ARG A 99 0.510 5.256 13.993 1.00 1.87 H new ATOM 0 HH21 ARG A 99 -2.739 5.212 12.881 1.00 3.12 H new ATOM 0 HH22 ARG A 99 -1.585 5.791 14.087 1.00 3.12 H new ATOM 1184 N ILE A 100 -2.138 0.976 6.314 1.00 0.29 N ATOM 1185 CA ILE A 100 -2.612 1.505 5.025 1.00 0.22 C ATOM 1186 C ILE A 100 -3.663 2.587 5.183 1.00 0.21 C ATOM 1187 O ILE A 100 -4.515 2.592 6.076 1.00 0.26 O ATOM 1188 CB ILE A 100 -3.057 0.379 4.045 1.00 0.24 C ATOM 1189 CG1 ILE A 100 -2.117 -0.846 4.088 1.00 0.41 C ATOM 1190 CG2 ILE A 100 -3.214 0.913 2.607 1.00 0.31 C ATOM 1191 CD1 ILE A 100 -2.451 -1.941 3.069 1.00 0.45 C ATOM 0 H ILE A 100 -2.831 0.405 6.797 1.00 0.29 H new ATOM 0 HA ILE A 100 -1.751 1.989 4.565 1.00 0.22 H new ATOM 0 HB ILE A 100 -4.035 0.038 4.385 1.00 0.24 H new ATOM 0 HG12 ILE A 100 -1.094 -0.509 3.918 1.00 0.41 H new ATOM 0 HG13 ILE A 100 -2.148 -1.277 5.089 1.00 0.41 H new ATOM 0 HG21 ILE A 100 -3.525 0.101 1.949 1.00 0.31 H new ATOM 0 HG22 ILE A 100 -3.967 1.701 2.592 1.00 0.31 H new ATOM 0 HG23 ILE A 100 -2.261 1.314 2.262 1.00 0.31 H new ATOM 0 HD11 ILE A 100 -1.741 -2.761 3.171 1.00 0.45 H new ATOM 0 HD12 ILE A 100 -3.460 -2.311 3.250 1.00 0.45 H new ATOM 0 HD13 ILE A 100 -2.390 -1.531 2.061 1.00 0.45 H new ATOM 1203 N PHE A 101 -3.531 3.513 4.249 1.00 0.19 N ATOM 1204 CA PHE A 101 -4.258 4.737 4.085 1.00 0.21 C ATOM 1205 C PHE A 101 -4.612 4.921 2.601 1.00 0.25 C ATOM 1206 O PHE A 101 -3.786 4.700 1.714 1.00 0.42 O ATOM 1207 CB PHE A 101 -3.293 5.806 4.563 1.00 0.22 C ATOM 1208 CG PHE A 101 -2.947 5.768 6.032 1.00 0.30 C ATOM 1209 CD1 PHE A 101 -1.729 5.196 6.440 1.00 1.70 C ATOM 1210 CD2 PHE A 101 -3.835 6.293 6.988 1.00 1.86 C ATOM 1211 CE1 PHE A 101 -1.382 5.175 7.797 1.00 1.66 C ATOM 1212 CE2 PHE A 101 -3.478 6.288 8.348 1.00 1.97 C ATOM 1213 CZ PHE A 101 -2.247 5.742 8.750 1.00 0.62 C ATOM 0 H PHE A 101 -2.833 3.403 3.513 1.00 0.19 H new ATOM 0 HA PHE A 101 -5.197 4.768 4.637 1.00 0.21 H new ATOM 0 HB2 PHE A 101 -2.370 5.719 3.989 1.00 0.22 H new ATOM 0 HB3 PHE A 101 -3.720 6.783 4.334 1.00 0.22 H new ATOM 0 HD1 PHE A 101 -1.060 4.772 5.706 1.00 1.70 H new ATOM 0 HD2 PHE A 101 -4.787 6.698 6.679 1.00 1.86 H new ATOM 0 HE1 PHE A 101 -0.452 4.724 8.111 1.00 1.66 H new ATOM 0 HE2 PHE A 101 -4.150 6.704 9.084 1.00 1.97 H new ATOM 0 HZ PHE A 101 -1.965 5.758 9.792 1.00 0.62 H new ATOM 1223 N THR A 102 -5.846 5.322 2.331 1.00 0.30 N ATOM 1224 CA THR A 102 -6.448 5.485 0.998 1.00 0.36 C ATOM 1225 C THR A 102 -7.409 6.664 1.052 1.00 0.44 C ATOM 1226 O THR A 102 -7.917 7.038 2.112 1.00 0.56 O ATOM 1227 CB THR A 102 -7.256 4.232 0.594 1.00 0.37 C ATOM 1228 OG1 THR A 102 -8.046 3.756 1.663 1.00 0.38 O ATOM 1229 CG2 THR A 102 -6.370 3.057 0.189 1.00 0.38 C ATOM 0 H THR A 102 -6.501 5.559 3.076 1.00 0.30 H new ATOM 0 HA THR A 102 -5.651 5.642 0.271 1.00 0.36 H new ATOM 0 HB THR A 102 -7.864 4.563 -0.248 1.00 0.37 H new ATOM 0 HG1 THR A 102 -8.993 3.793 1.412 1.00 0.38 H new ATOM 0 HG21 THR A 102 -6.995 2.207 -0.084 1.00 0.38 H new ATOM 0 HG22 THR A 102 -5.754 3.343 -0.664 1.00 0.38 H new ATOM 0 HG23 THR A 102 -5.727 2.781 1.025 1.00 0.38 H new ATOM 1237 N SER A 103 -7.682 7.236 -0.109 1.00 0.42 N ATOM 1238 CA SER A 103 -8.691 8.271 -0.310 1.00 0.43 C ATOM 1239 C SER A 103 -9.140 8.251 -1.776 1.00 0.32 C ATOM 1240 O SER A 103 -8.584 7.505 -2.588 1.00 0.28 O ATOM 1241 CB SER A 103 -8.170 9.663 0.116 1.00 0.52 C ATOM 1242 OG SER A 103 -6.768 9.766 0.312 1.00 0.72 O ATOM 0 H SER A 103 -7.193 6.986 -0.968 1.00 0.42 H new ATOM 0 HA SER A 103 -9.552 8.063 0.325 1.00 0.43 H new ATOM 0 HB2 SER A 103 -8.466 10.388 -0.642 1.00 0.52 H new ATOM 0 HB3 SER A 103 -8.669 9.949 1.042 1.00 0.52 H new ATOM 0 HG SER A 103 -6.419 10.517 -0.211 1.00 0.72 H new ATOM 1248 N VAL A 104 -10.132 9.061 -2.144 1.00 0.31 N ATOM 1249 CA VAL A 104 -10.648 9.117 -3.516 1.00 0.23 C ATOM 1250 C VAL A 104 -11.026 10.540 -3.934 1.00 0.33 C ATOM 1251 O VAL A 104 -11.827 11.181 -3.254 1.00 0.49 O ATOM 1252 CB VAL A 104 -11.820 8.137 -3.691 1.00 0.24 C ATOM 1253 CG1 VAL A 104 -13.009 8.351 -2.763 1.00 0.30 C ATOM 1254 CG2 VAL A 104 -12.317 8.144 -5.133 1.00 0.28 C ATOM 0 H VAL A 104 -10.602 9.698 -1.501 1.00 0.31 H new ATOM 0 HA VAL A 104 -9.846 8.807 -4.185 1.00 0.23 H new ATOM 0 HB VAL A 104 -11.395 7.171 -3.416 1.00 0.24 H new ATOM 0 HG11 VAL A 104 -13.775 7.605 -2.975 1.00 0.30 H new ATOM 0 HG12 VAL A 104 -12.684 8.254 -1.727 1.00 0.30 H new ATOM 0 HG13 VAL A 104 -13.420 9.348 -2.922 1.00 0.30 H new ATOM 0 HG21 VAL A 104 -13.146 7.444 -5.235 1.00 0.28 H new ATOM 0 HG22 VAL A 104 -12.654 9.147 -5.397 1.00 0.28 H new ATOM 0 HG23 VAL A 104 -11.507 7.846 -5.799 1.00 0.28 H new ATOM 1264 N PRO A 105 -10.494 11.036 -5.067 1.00 0.35 N ATOM 1265 CA PRO A 105 -10.844 12.338 -5.598 1.00 0.53 C ATOM 1266 C PRO A 105 -12.243 12.316 -6.220 1.00 0.64 C ATOM 1267 O PRO A 105 -12.474 11.825 -7.336 1.00 0.69 O ATOM 1268 CB PRO A 105 -9.743 12.695 -6.590 1.00 0.60 C ATOM 1269 CG PRO A 105 -9.245 11.337 -7.080 1.00 0.40 C ATOM 1270 CD PRO A 105 -9.474 10.420 -5.893 1.00 0.30 C ATOM 0 HA PRO A 105 -10.900 13.101 -4.822 1.00 0.53 H new ATOM 0 HB2 PRO A 105 -10.125 13.302 -7.411 1.00 0.60 H new ATOM 0 HB3 PRO A 105 -8.946 13.267 -6.115 1.00 0.60 H new ATOM 0 HG2 PRO A 105 -9.797 11.001 -7.958 1.00 0.40 H new ATOM 0 HG3 PRO A 105 -8.192 11.374 -7.360 1.00 0.40 H new ATOM 0 HD2 PRO A 105 -9.793 9.432 -6.226 1.00 0.30 H new ATOM 0 HD3 PRO A 105 -8.552 10.284 -5.328 1.00 0.30 H new