USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 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= 1.92 K(o=3.2,f=-0.63) USER MOD Set 1.2: A 102 THR OG1 : rot 97:sc= 1.23 USER MOD Set 2.1: A 30 THR OG1 : rot -165:sc= 1.61 USER MOD Set 2.2: A 63 TYR OH : rot -29:sc= 1.53 USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 37 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc= 0.604 K(o=0.6,f=-0.082) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.729 (180deg=0.447) USER MOD Single : A 48 THR OG1 : rot 112:sc= 1.12 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= 0.61 USER MOD Single : A 59 CYS SG : rot 26:sc= 0.14 USER MOD Single : A 62 MET CE :methyl -152:sc= 0 (180deg=-0.831) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 179:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 2.29 (180deg=2.26) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 83 MET CE :methyl 163:sc= 0 (180deg=-0.447) USER MOD Single : A 85 ASN : amide:sc= 0.623 K(o=0.62,f=-0.61) USER MOD Single : A 86 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.14) 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 -156:sc= -0.33 (180deg=-1.14) USER MOD Single : A 96 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 103 SER OG : rot 132:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 15.112 2.898 4.736 1.00 0.67 N ATOM 28 CA GLN A 29 14.495 2.002 3.758 1.00 0.50 C ATOM 29 C GLN A 29 14.600 0.535 4.201 1.00 0.54 C ATOM 30 O GLN A 29 15.423 0.173 5.047 1.00 0.88 O ATOM 31 CB GLN A 29 15.145 2.223 2.387 1.00 0.68 C ATOM 32 CG GLN A 29 14.334 3.245 1.586 1.00 0.86 C ATOM 33 CD GLN A 29 14.378 4.681 2.109 1.00 1.72 C ATOM 34 OE1 GLN A 29 15.426 5.254 2.390 1.00 2.34 O ATOM 35 NE2 GLN A 29 13.241 5.324 2.225 1.00 2.30 N ATOM 0 HA GLN A 29 13.432 2.233 3.685 1.00 0.50 H new ATOM 0 HB2 GLN A 29 16.169 2.576 2.513 1.00 0.68 H new ATOM 0 HB3 GLN A 29 15.197 1.280 1.843 1.00 0.68 H new ATOM 0 HG2 GLN A 29 14.694 3.241 0.557 1.00 0.86 H new ATOM 0 HG3 GLN A 29 13.294 2.918 1.562 1.00 0.86 H new ATOM 0 HE21 GLN A 29 12.365 4.856 1.994 1.00 2.30 H new ATOM 0 HE22 GLN A 29 13.233 6.292 2.546 1.00 2.30 H new ATOM 44 N THR A 30 13.840 -0.326 3.536 1.00 0.41 N ATOM 45 CA THR A 30 14.256 -1.701 3.219 1.00 0.36 C ATOM 46 C THR A 30 14.238 -1.860 1.698 1.00 0.43 C ATOM 47 O THR A 30 13.684 -1.009 1.000 1.00 0.57 O ATOM 48 CB THR A 30 13.348 -2.761 3.852 1.00 0.37 C ATOM 49 OG1 THR A 30 12.052 -2.598 3.346 1.00 0.44 O ATOM 50 CG2 THR A 30 13.321 -2.682 5.371 1.00 0.47 C ATOM 0 H THR A 30 12.907 -0.094 3.195 1.00 0.41 H new ATOM 0 HA THR A 30 15.253 -1.857 3.630 1.00 0.36 H new ATOM 0 HB THR A 30 13.748 -3.742 3.596 1.00 0.37 H new ATOM 0 HG1 THR A 30 11.418 -3.098 3.902 1.00 0.44 H new ATOM 0 HG21 THR A 30 12.662 -3.456 5.764 1.00 0.47 H new ATOM 0 HG22 THR A 30 14.328 -2.830 5.761 1.00 0.47 H new ATOM 0 HG23 THR A 30 12.954 -1.703 5.678 1.00 0.47 H new ATOM 58 N GLU A 31 14.757 -2.959 1.154 1.00 0.49 N ATOM 59 CA GLU A 31 14.514 -3.289 -0.257 1.00 0.59 C ATOM 60 C GLU A 31 13.049 -3.694 -0.513 1.00 0.42 C ATOM 61 O GLU A 31 12.551 -3.579 -1.636 1.00 0.39 O ATOM 62 CB GLU A 31 15.459 -4.409 -0.673 1.00 0.82 C ATOM 63 CG GLU A 31 16.916 -3.948 -0.787 1.00 1.06 C ATOM 64 CD GLU A 31 17.814 -5.122 -1.178 1.00 1.67 C ATOM 65 OE1 GLU A 31 17.651 -5.661 -2.300 1.00 2.87 O ATOM 66 OE2 GLU A 31 18.654 -5.533 -0.340 1.00 2.66 O ATOM 0 H GLU A 31 15.340 -3.629 1.655 1.00 0.49 H new ATOM 0 HA GLU A 31 14.704 -2.399 -0.857 1.00 0.59 H new ATOM 0 HB2 GLU A 31 15.395 -5.220 0.053 1.00 0.82 H new ATOM 0 HB3 GLU A 31 15.135 -4.814 -1.632 1.00 0.82 H new ATOM 0 HG2 GLU A 31 16.997 -3.156 -1.531 1.00 1.06 H new ATOM 0 HG3 GLU A 31 17.247 -3.528 0.163 1.00 1.06 H new ATOM 73 N GLY A 32 12.341 -4.143 0.529 1.00 0.36 N ATOM 74 CA GLY A 32 10.894 -4.366 0.509 1.00 0.30 C ATOM 75 C GLY A 32 10.103 -3.072 0.306 1.00 0.25 C ATOM 76 O GLY A 32 9.197 -3.056 -0.515 1.00 0.26 O ATOM 0 H GLY A 32 12.768 -4.366 1.428 1.00 0.36 H new ATOM 0 HA2 GLY A 32 10.649 -5.067 -0.289 1.00 0.30 H new ATOM 0 HA3 GLY A 32 10.589 -4.831 1.446 1.00 0.30 H new ATOM 80 N GLU A 33 10.488 -1.964 0.948 1.00 0.25 N ATOM 81 CA GLU A 33 9.957 -0.617 0.722 1.00 0.23 C ATOM 82 C GLU A 33 9.924 -0.263 -0.774 1.00 0.23 C ATOM 83 O GLU A 33 8.893 0.154 -1.308 1.00 0.25 O ATOM 84 CB GLU A 33 10.859 0.351 1.525 1.00 0.24 C ATOM 85 CG GLU A 33 10.154 1.562 2.118 1.00 0.27 C ATOM 86 CD GLU A 33 10.272 2.833 1.259 1.00 0.33 C ATOM 87 OE1 GLU A 33 10.935 3.792 1.725 1.00 1.32 O ATOM 88 OE2 GLU A 33 9.741 2.893 0.128 1.00 1.18 O ATOM 0 H GLU A 33 11.209 -1.983 1.670 1.00 0.25 H new ATOM 0 HA GLU A 33 8.922 -0.546 1.058 1.00 0.23 H new ATOM 0 HB2 GLU A 33 11.330 -0.206 2.335 1.00 0.24 H new ATOM 0 HB3 GLU A 33 11.658 0.701 0.872 1.00 0.24 H new ATOM 0 HG2 GLU A 33 9.099 1.325 2.256 1.00 0.27 H new ATOM 0 HG3 GLU A 33 10.567 1.763 3.106 1.00 0.27 H new ATOM 95 N LEU A 34 11.025 -0.543 -1.482 1.00 0.24 N ATOM 96 CA LEU A 34 11.194 -0.283 -2.909 1.00 0.27 C ATOM 97 C LEU A 34 10.295 -1.189 -3.746 1.00 0.26 C ATOM 98 O LEU A 34 9.526 -0.685 -4.563 1.00 0.31 O ATOM 99 CB LEU A 34 12.659 -0.501 -3.323 1.00 0.30 C ATOM 100 CG LEU A 34 13.713 0.004 -2.334 1.00 0.31 C ATOM 101 CD1 LEU A 34 15.117 -0.217 -2.886 1.00 0.37 C ATOM 102 CD2 LEU A 34 13.551 1.485 -1.990 1.00 0.38 C ATOM 0 H LEU A 34 11.848 -0.971 -1.059 1.00 0.24 H new ATOM 0 HA LEU A 34 10.913 0.754 -3.090 1.00 0.27 H new ATOM 0 HB2 LEU A 34 12.817 -1.568 -3.480 1.00 0.30 H new ATOM 0 HB3 LEU A 34 12.823 -0.009 -4.282 1.00 0.30 H new ATOM 0 HG LEU A 34 13.565 -0.572 -1.421 1.00 0.31 H new ATOM 0 HD11 LEU A 34 15.852 0.148 -2.169 1.00 0.37 H new ATOM 0 HD12 LEU A 34 15.277 -1.281 -3.059 1.00 0.37 H new ATOM 0 HD13 LEU A 34 15.228 0.324 -3.826 1.00 0.37 H new ATOM 0 HD21 LEU A 34 14.328 1.782 -1.285 1.00 0.38 H new ATOM 0 HD22 LEU A 34 13.638 2.081 -2.898 1.00 0.38 H new ATOM 0 HD23 LEU A 34 12.571 1.649 -1.541 1.00 0.38 H new ATOM 114 N ARG A 35 10.366 -2.507 -3.511 1.00 0.25 N ATOM 115 CA ARG A 35 9.580 -3.539 -4.204 1.00 0.30 C ATOM 116 C ARG A 35 8.087 -3.264 -4.070 1.00 0.30 C ATOM 117 O ARG A 35 7.366 -3.223 -5.063 1.00 0.40 O ATOM 118 CB ARG A 35 9.939 -4.912 -3.605 1.00 0.35 C ATOM 119 CG ARG A 35 9.037 -6.049 -4.126 1.00 0.44 C ATOM 120 CD ARG A 35 9.767 -7.029 -5.046 1.00 0.77 C ATOM 121 NE ARG A 35 10.627 -7.969 -4.308 1.00 1.29 N ATOM 122 CZ ARG A 35 11.778 -8.459 -4.724 1.00 2.33 C ATOM 123 NH1 ARG A 35 12.445 -7.975 -5.732 1.00 3.12 N ATOM 124 NH2 ARG A 35 12.307 -9.488 -4.142 1.00 3.13 N ATOM 0 H ARG A 35 10.994 -2.898 -2.809 1.00 0.25 H new ATOM 0 HA ARG A 35 9.818 -3.529 -5.268 1.00 0.30 H new ATOM 0 HB2 ARG A 35 10.978 -5.144 -3.838 1.00 0.35 H new ATOM 0 HB3 ARG A 35 9.860 -4.861 -2.519 1.00 0.35 H new ATOM 0 HG2 ARG A 35 8.627 -6.596 -3.277 1.00 0.44 H new ATOM 0 HG3 ARG A 35 8.194 -5.616 -4.664 1.00 0.44 H new ATOM 0 HD2 ARG A 35 9.035 -7.591 -5.625 1.00 0.77 H new ATOM 0 HD3 ARG A 35 10.374 -6.469 -5.757 1.00 0.77 H new ATOM 0 HE ARG A 35 10.302 -8.269 -3.389 1.00 1.29 H new ATOM 0 HH11 ARG A 35 12.081 -7.173 -6.247 1.00 3.12 H new ATOM 0 HH12 ARG A 35 13.332 -8.398 -6.007 1.00 3.12 H new ATOM 0 HH21 ARG A 35 11.833 -9.928 -3.353 1.00 3.13 H new ATOM 0 HH22 ARG A 35 13.198 -9.859 -4.472 1.00 3.13 H new ATOM 138 N VAL A 36 7.636 -3.030 -2.841 1.00 0.24 N ATOM 139 CA VAL A 36 6.238 -2.732 -2.548 1.00 0.25 C ATOM 140 C VAL A 36 5.865 -1.461 -3.304 1.00 0.27 C ATOM 141 O VAL A 36 4.875 -1.466 -4.032 1.00 0.30 O ATOM 142 CB VAL A 36 5.994 -2.585 -1.031 1.00 0.25 C ATOM 143 CG1 VAL A 36 4.617 -1.982 -0.717 1.00 0.29 C ATOM 144 CG2 VAL A 36 6.089 -3.960 -0.356 1.00 0.23 C ATOM 0 H VAL A 36 8.234 -3.042 -2.015 1.00 0.24 H new ATOM 0 HA VAL A 36 5.605 -3.557 -2.874 1.00 0.25 H new ATOM 0 HB VAL A 36 6.759 -1.909 -0.649 1.00 0.25 H new ATOM 0 HG11 VAL A 36 4.494 -1.899 0.363 1.00 0.29 H new ATOM 0 HG12 VAL A 36 4.542 -0.992 -1.168 1.00 0.29 H new ATOM 0 HG13 VAL A 36 3.837 -2.626 -1.123 1.00 0.29 H new ATOM 0 HG21 VAL A 36 5.916 -3.852 0.715 1.00 0.23 H new ATOM 0 HG22 VAL A 36 5.337 -4.626 -0.780 1.00 0.23 H new ATOM 0 HG23 VAL A 36 7.081 -4.380 -0.523 1.00 0.23 H new ATOM 154 N THR A 37 6.702 -0.413 -3.244 1.00 0.27 N ATOM 155 CA THR A 37 6.440 0.830 -3.981 1.00 0.29 C ATOM 156 C THR A 37 6.308 0.597 -5.485 1.00 0.30 C ATOM 157 O THR A 37 5.402 1.146 -6.101 1.00 0.33 O ATOM 158 CB THR A 37 7.506 1.906 -3.727 1.00 0.30 C ATOM 159 OG1 THR A 37 7.671 2.228 -2.370 1.00 0.31 O ATOM 160 CG2 THR A 37 7.219 3.233 -4.425 1.00 0.37 C ATOM 0 H THR A 37 7.562 -0.403 -2.695 1.00 0.27 H new ATOM 0 HA THR A 37 5.487 1.192 -3.596 1.00 0.29 H new ATOM 0 HB THR A 37 8.404 1.439 -4.131 1.00 0.30 H new ATOM 0 HG1 THR A 37 8.020 1.449 -1.889 1.00 0.31 H new ATOM 0 HG21 THR A 37 8.015 3.943 -4.199 1.00 0.37 H new ATOM 0 HG22 THR A 37 7.170 3.074 -5.502 1.00 0.37 H new ATOM 0 HG23 THR A 37 6.267 3.631 -4.073 1.00 0.37 H new ATOM 168 N GLN A 38 7.152 -0.252 -6.073 1.00 0.31 N ATOM 169 CA GLN A 38 7.118 -0.556 -7.503 1.00 0.31 C ATOM 170 C GLN A 38 5.776 -1.168 -7.912 1.00 0.35 C ATOM 171 O GLN A 38 5.184 -0.737 -8.905 1.00 0.48 O ATOM 172 CB GLN A 38 8.249 -1.524 -7.898 1.00 0.32 C ATOM 173 CG GLN A 38 9.704 -1.035 -7.777 1.00 0.54 C ATOM 174 CD GLN A 38 9.878 0.475 -7.892 1.00 0.72 C ATOM 175 OE1 GLN A 38 9.924 1.038 -8.981 1.00 1.77 O ATOM 176 NE2 GLN A 38 9.938 1.168 -6.777 1.00 0.63 N ATOM 0 H GLN A 38 7.883 -0.751 -5.566 1.00 0.31 H new ATOM 0 HA GLN A 38 7.255 0.390 -8.027 1.00 0.31 H new ATOM 0 HB2 GLN A 38 8.148 -2.421 -7.287 1.00 0.32 H new ATOM 0 HB3 GLN A 38 8.084 -1.824 -8.933 1.00 0.32 H new ATOM 0 HG2 GLN A 38 10.104 -1.362 -6.817 1.00 0.54 H new ATOM 0 HG3 GLN A 38 10.301 -1.516 -8.552 1.00 0.54 H new ATOM 0 HE21 GLN A 38 9.899 0.690 -5.877 1.00 0.63 H new ATOM 0 HE22 GLN A 38 10.024 2.184 -6.812 1.00 0.63 H new ATOM 185 N ILE A 39 5.270 -2.133 -7.142 1.00 0.31 N ATOM 186 CA ILE A 39 4.036 -2.851 -7.488 1.00 0.30 C ATOM 187 C ILE A 39 2.808 -1.982 -7.186 1.00 0.27 C ATOM 188 O ILE A 39 1.798 -2.062 -7.884 1.00 0.27 O ATOM 189 CB ILE A 39 3.979 -4.222 -6.788 1.00 0.35 C ATOM 190 CG1 ILE A 39 5.232 -5.068 -7.081 1.00 0.34 C ATOM 191 CG2 ILE A 39 2.737 -4.983 -7.282 1.00 0.39 C ATOM 192 CD1 ILE A 39 5.403 -6.226 -6.102 1.00 0.65 C ATOM 0 H ILE A 39 5.697 -2.439 -6.268 1.00 0.31 H new ATOM 0 HA ILE A 39 4.033 -3.051 -8.560 1.00 0.30 H new ATOM 0 HB ILE A 39 3.931 -4.050 -5.713 1.00 0.35 H new ATOM 0 HG12 ILE A 39 5.171 -5.462 -8.096 1.00 0.34 H new ATOM 0 HG13 ILE A 39 6.114 -4.429 -7.040 1.00 0.34 H new ATOM 0 HG21 ILE A 39 2.687 -5.955 -6.792 1.00 0.39 H new ATOM 0 HG22 ILE A 39 1.841 -4.410 -7.043 1.00 0.39 H new ATOM 0 HG23 ILE A 39 2.801 -5.123 -8.361 1.00 0.39 H new ATOM 0 HD11 ILE A 39 6.302 -6.788 -6.356 1.00 0.65 H new ATOM 0 HD12 ILE A 39 5.494 -5.835 -5.089 1.00 0.65 H new ATOM 0 HD13 ILE A 39 4.536 -6.883 -6.161 1.00 0.65 H new ATOM 204 N LEU A 40 2.909 -1.064 -6.224 1.00 0.27 N ATOM 205 CA LEU A 40 1.901 -0.027 -6.017 1.00 0.28 C ATOM 206 C LEU A 40 1.695 0.859 -7.254 1.00 0.28 C ATOM 207 O LEU A 40 0.551 1.146 -7.601 1.00 0.29 O ATOM 208 CB LEU A 40 2.266 0.794 -4.770 1.00 0.30 C ATOM 209 CG LEU A 40 2.002 0.057 -3.443 1.00 0.32 C ATOM 210 CD1 LEU A 40 2.178 1.043 -2.291 1.00 0.42 C ATOM 211 CD2 LEU A 40 0.628 -0.608 -3.335 1.00 0.26 C ATOM 0 H LEU A 40 3.690 -1.019 -5.569 1.00 0.27 H new ATOM 0 HA LEU A 40 0.940 -0.513 -5.852 1.00 0.28 H new ATOM 0 HB2 LEU A 40 3.320 1.066 -4.821 1.00 0.30 H new ATOM 0 HB3 LEU A 40 1.697 1.723 -4.779 1.00 0.30 H new ATOM 0 HG LEU A 40 2.724 -0.758 -3.400 1.00 0.32 H new ATOM 0 HD11 LEU A 40 1.994 0.534 -1.345 1.00 0.42 H new ATOM 0 HD12 LEU A 40 3.195 1.435 -2.300 1.00 0.42 H new ATOM 0 HD13 LEU A 40 1.471 1.865 -2.404 1.00 0.42 H new ATOM 0 HD21 LEU A 40 0.537 -1.100 -2.367 1.00 0.26 H new ATOM 0 HD22 LEU A 40 -0.151 0.148 -3.432 1.00 0.26 H new ATOM 0 HD23 LEU A 40 0.518 -1.346 -4.129 1.00 0.26 H new ATOM 223 N LYS A 41 2.765 1.209 -7.978 1.00 0.28 N ATOM 224 CA LYS A 41 2.685 1.987 -9.239 1.00 0.33 C ATOM 225 C LYS A 41 1.979 1.251 -10.372 1.00 0.41 C ATOM 226 O LYS A 41 1.555 1.868 -11.345 1.00 0.61 O ATOM 227 CB LYS A 41 4.054 2.467 -9.734 1.00 0.39 C ATOM 228 CG LYS A 41 4.810 3.117 -8.586 1.00 0.45 C ATOM 229 CD LYS A 41 5.726 4.276 -8.976 1.00 0.70 C ATOM 230 CE LYS A 41 6.443 4.728 -7.702 1.00 1.00 C ATOM 231 NZ LYS A 41 7.206 5.978 -7.894 1.00 1.48 N ATOM 0 H LYS A 41 3.719 0.964 -7.712 1.00 0.28 H new ATOM 0 HA LYS A 41 2.081 2.853 -8.969 1.00 0.33 H new ATOM 0 HB2 LYS A 41 4.625 1.627 -10.129 1.00 0.39 H new ATOM 0 HB3 LYS A 41 3.928 3.179 -10.550 1.00 0.39 H new ATOM 0 HG2 LYS A 41 4.086 3.478 -7.855 1.00 0.45 H new ATOM 0 HG3 LYS A 41 5.410 2.354 -8.090 1.00 0.45 H new ATOM 0 HD2 LYS A 41 6.445 3.961 -9.732 1.00 0.70 H new ATOM 0 HD3 LYS A 41 5.150 5.095 -9.405 1.00 0.70 H new ATOM 0 HE2 LYS A 41 5.710 4.872 -6.908 1.00 1.00 H new ATOM 0 HE3 LYS A 41 7.120 3.940 -7.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.672 6.241 -7.002 1.00 1.48 H new ATOM 0 HZ2 LYS A 41 7.925 5.836 -8.632 1.00 1.48 H new ATOM 0 HZ3 LYS A 41 6.559 6.739 -8.183 1.00 1.48 H new ATOM 245 N GLU A 42 1.884 -0.070 -10.281 1.00 0.36 N ATOM 246 CA GLU A 42 1.355 -0.964 -11.272 1.00 0.45 C ATOM 247 C GLU A 42 -0.048 -1.460 -10.987 1.00 0.47 C ATOM 248 O GLU A 42 -0.825 -1.628 -11.930 1.00 0.60 O ATOM 249 CB GLU A 42 2.285 -2.141 -11.239 1.00 0.52 C ATOM 250 CG GLU A 42 3.635 -1.985 -11.905 1.00 0.68 C ATOM 251 CD GLU A 42 4.535 -3.230 -11.799 1.00 1.19 C ATOM 252 OE1 GLU A 42 4.096 -4.333 -12.209 1.00 1.79 O ATOM 253 OE2 GLU A 42 5.714 -3.110 -11.381 1.00 2.24 O ATOM 0 H GLU A 42 2.200 -0.568 -9.449 1.00 0.36 H new ATOM 0 HA GLU A 42 1.289 -0.445 -12.228 1.00 0.45 H new ATOM 0 HB2 GLU A 42 2.454 -2.407 -10.195 1.00 0.52 H new ATOM 0 HB3 GLU A 42 1.776 -2.985 -11.705 1.00 0.52 H new ATOM 0 HG2 GLU A 42 3.484 -1.748 -12.958 1.00 0.68 H new ATOM 0 HG3 GLU A 42 4.153 -1.136 -11.458 1.00 0.68 H new ATOM 260 N LYS A 43 -0.391 -1.672 -9.709 1.00 0.38 N ATOM 261 CA LYS A 43 -1.781 -1.881 -9.356 1.00 0.39 C ATOM 262 C LYS A 43 -2.554 -0.565 -9.371 1.00 0.44 C ATOM 263 O LYS A 43 -3.733 -0.573 -9.730 1.00 0.63 O ATOM 264 CB LYS A 43 -1.957 -2.637 -8.030 1.00 0.31 C ATOM 265 CG LYS A 43 -1.226 -3.971 -7.878 1.00 0.38 C ATOM 266 CD LYS A 43 -1.528 -4.987 -8.979 1.00 0.66 C ATOM 267 CE LYS A 43 -0.491 -6.116 -9.053 1.00 0.91 C ATOM 268 NZ LYS A 43 -0.498 -6.999 -7.860 1.00 2.80 N ATOM 0 H LYS A 43 0.264 -1.701 -8.928 1.00 0.38 H new ATOM 0 HA LYS A 43 -2.206 -2.528 -10.123 1.00 0.39 H new ATOM 0 HB2 LYS A 43 -1.632 -1.981 -7.223 1.00 0.31 H new ATOM 0 HB3 LYS A 43 -3.022 -2.818 -7.884 1.00 0.31 H new ATOM 0 HG2 LYS A 43 -0.153 -3.783 -7.859 1.00 0.38 H new ATOM 0 HG3 LYS A 43 -1.490 -4.408 -6.915 1.00 0.38 H new ATOM 0 HD2 LYS A 43 -2.515 -5.418 -8.808 1.00 0.66 H new ATOM 0 HD3 LYS A 43 -1.567 -4.473 -9.939 1.00 0.66 H new ATOM 0 HE2 LYS A 43 -0.681 -6.717 -9.942 1.00 0.91 H new ATOM 0 HE3 LYS A 43 0.502 -5.681 -9.169 1.00 0.91 H new ATOM 0 HZ1 LYS A 43 -0.062 -7.912 -8.101 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 0.041 -6.550 -7.092 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 -1.478 -7.155 -7.550 1.00 2.80 H new ATOM 282 N PHE A 44 -1.878 0.551 -9.060 1.00 0.34 N ATOM 283 CA PHE A 44 -2.498 1.878 -8.965 1.00 0.35 C ATOM 284 C PHE A 44 -1.863 3.043 -9.757 1.00 0.36 C ATOM 285 O PHE A 44 -1.686 4.136 -9.216 1.00 0.30 O ATOM 286 CB PHE A 44 -2.732 2.242 -7.482 1.00 0.30 C ATOM 287 CG PHE A 44 -3.387 1.176 -6.623 1.00 0.31 C ATOM 288 CD1 PHE A 44 -4.786 1.051 -6.626 1.00 1.54 C ATOM 289 CD2 PHE A 44 -2.610 0.315 -5.820 1.00 1.47 C ATOM 290 CE1 PHE A 44 -5.405 0.061 -5.846 1.00 1.55 C ATOM 291 CE2 PHE A 44 -3.227 -0.680 -5.045 1.00 1.46 C ATOM 292 CZ PHE A 44 -4.625 -0.806 -5.061 1.00 0.28 C ATOM 0 H PHE A 44 -0.877 0.556 -8.866 1.00 0.34 H new ATOM 0 HA PHE A 44 -3.443 1.760 -9.495 1.00 0.35 H new ATOM 0 HB2 PHE A 44 -1.770 2.497 -7.037 1.00 0.30 H new ATOM 0 HB3 PHE A 44 -3.349 3.139 -7.443 1.00 0.30 H new ATOM 0 HD1 PHE A 44 -5.386 1.717 -7.229 1.00 1.54 H new ATOM 0 HD2 PHE A 44 -1.535 0.422 -5.801 1.00 1.47 H new ATOM 0 HE1 PHE A 44 -6.481 -0.034 -5.849 1.00 1.55 H new ATOM 0 HE2 PHE A 44 -2.629 -1.345 -4.440 1.00 1.46 H new ATOM 0 HZ PHE A 44 -5.103 -1.572 -4.468 1.00 0.28 H new ATOM 302 N PRO A 45 -1.594 2.889 -11.066 1.00 0.50 N ATOM 303 CA PRO A 45 -1.098 3.978 -11.917 1.00 0.61 C ATOM 304 C PRO A 45 -2.039 5.179 -12.014 1.00 0.65 C ATOM 305 O PRO A 45 -1.559 6.308 -12.166 1.00 0.82 O ATOM 306 CB PRO A 45 -0.828 3.352 -13.289 1.00 0.70 C ATOM 307 CG PRO A 45 -1.649 2.063 -13.283 1.00 0.73 C ATOM 308 CD PRO A 45 -1.678 1.657 -11.820 1.00 0.56 C ATOM 0 HA PRO A 45 -0.195 4.402 -11.476 1.00 0.61 H new ATOM 0 HB2 PRO A 45 -1.136 4.016 -14.097 1.00 0.70 H new ATOM 0 HB3 PRO A 45 0.233 3.147 -13.431 1.00 0.70 H new ATOM 0 HG2 PRO A 45 -2.654 2.227 -13.672 1.00 0.73 H new ATOM 0 HG3 PRO A 45 -1.189 1.293 -13.903 1.00 0.73 H new ATOM 0 HD2 PRO A 45 -2.594 1.115 -11.583 1.00 0.56 H new ATOM 0 HD3 PRO A 45 -0.845 0.995 -11.581 1.00 0.56 H new ATOM 316 N ARG A 46 -3.356 4.983 -11.854 1.00 0.60 N ATOM 317 CA ARG A 46 -4.335 6.076 -11.909 1.00 0.66 C ATOM 318 C ARG A 46 -4.348 6.968 -10.661 1.00 0.53 C ATOM 319 O ARG A 46 -5.018 8.005 -10.676 1.00 0.65 O ATOM 320 CB ARG A 46 -5.741 5.512 -12.177 1.00 0.81 C ATOM 321 CG ARG A 46 -5.888 4.741 -13.496 1.00 0.99 C ATOM 322 CD ARG A 46 -5.810 5.672 -14.709 1.00 1.73 C ATOM 323 NE ARG A 46 -6.002 4.943 -15.973 1.00 2.76 N ATOM 324 CZ ARG A 46 -6.300 5.478 -17.144 1.00 3.87 C ATOM 325 NH1 ARG A 46 -6.493 6.752 -17.317 1.00 4.43 N ATOM 326 NH2 ARG A 46 -6.410 4.726 -18.194 1.00 4.98 N ATOM 0 H ARG A 46 -3.770 4.066 -11.684 1.00 0.60 H new ATOM 0 HA ARG A 46 -4.024 6.720 -12.732 1.00 0.66 H new ATOM 0 HB2 ARG A 46 -6.014 4.851 -11.354 1.00 0.81 H new ATOM 0 HB3 ARG A 46 -6.454 6.337 -12.174 1.00 0.81 H new ATOM 0 HG2 ARG A 46 -5.104 3.987 -13.566 1.00 0.99 H new ATOM 0 HG3 ARG A 46 -6.841 4.212 -13.504 1.00 0.99 H new ATOM 0 HD2 ARG A 46 -6.569 6.449 -14.619 1.00 1.73 H new ATOM 0 HD3 ARG A 46 -4.841 6.172 -14.722 1.00 1.73 H new ATOM 0 HE ARG A 46 -5.895 3.929 -15.942 1.00 2.76 H new ATOM 0 HH11 ARG A 46 -6.416 7.391 -16.526 1.00 4.43 H new ATOM 0 HH12 ARG A 46 -6.721 7.112 -18.244 1.00 4.43 H new ATOM 0 HH21 ARG A 46 -6.266 3.719 -18.117 1.00 4.98 H new ATOM 0 HH22 ARG A 46 -6.640 5.141 -19.097 1.00 4.98 H new ATOM 340 N ALA A 47 -3.642 6.582 -9.598 1.00 0.35 N ATOM 341 CA ALA A 47 -3.669 7.243 -8.299 1.00 0.28 C ATOM 342 C ALA A 47 -3.285 8.741 -8.304 1.00 0.28 C ATOM 343 O ALA A 47 -2.474 9.207 -9.115 1.00 0.41 O ATOM 344 CB ALA A 47 -2.747 6.452 -7.365 1.00 0.30 C ATOM 0 H ALA A 47 -3.017 5.776 -9.621 1.00 0.35 H new ATOM 0 HA ALA A 47 -4.705 7.244 -7.959 1.00 0.28 H new ATOM 0 HB1 ALA A 47 -2.741 6.918 -6.380 1.00 0.30 H new ATOM 0 HB2 ALA A 47 -3.108 5.427 -7.280 1.00 0.30 H new ATOM 0 HB3 ALA A 47 -1.735 6.448 -7.770 1.00 0.30 H new ATOM 350 N THR A 48 -3.824 9.480 -7.333 1.00 0.29 N ATOM 351 CA THR A 48 -3.456 10.855 -6.949 1.00 0.38 C ATOM 352 C THR A 48 -2.629 10.920 -5.657 1.00 0.57 C ATOM 353 O THR A 48 -2.141 11.999 -5.316 1.00 1.07 O ATOM 354 CB THR A 48 -4.683 11.766 -6.855 1.00 0.50 C ATOM 355 OG1 THR A 48 -5.635 11.209 -5.981 1.00 0.85 O ATOM 356 CG2 THR A 48 -5.361 11.951 -8.211 1.00 0.47 C ATOM 0 H THR A 48 -4.579 9.115 -6.752 1.00 0.29 H new ATOM 0 HA THR A 48 -2.816 11.224 -7.751 1.00 0.38 H new ATOM 0 HB THR A 48 -4.329 12.731 -6.491 1.00 0.50 H new ATOM 0 HG1 THR A 48 -5.707 11.766 -5.178 1.00 0.85 H new ATOM 0 HG21 THR A 48 -6.227 12.604 -8.099 1.00 0.47 H new ATOM 0 HG22 THR A 48 -4.657 12.399 -8.912 1.00 0.47 H new ATOM 0 HG23 THR A 48 -5.684 10.982 -8.591 1.00 0.47 H new ATOM 364 N ALA A 49 -2.413 9.805 -4.944 1.00 0.41 N ATOM 365 CA ALA A 49 -1.254 9.605 -4.060 1.00 0.35 C ATOM 366 C ALA A 49 -0.746 8.148 -4.101 1.00 0.28 C ATOM 367 O ALA A 49 -1.565 7.235 -4.167 1.00 0.31 O ATOM 368 CB ALA A 49 -1.628 10.009 -2.627 1.00 0.40 C ATOM 0 H ALA A 49 -3.046 9.006 -4.965 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.440 10.237 -4.415 1.00 0.35 H new ATOM 0 HB1 ALA A 49 -0.770 9.861 -1.972 1.00 0.40 H new ATOM 0 HB2 ALA A 49 -1.921 11.059 -2.610 1.00 0.40 H new ATOM 0 HB3 ALA A 49 -2.459 9.394 -2.281 1.00 0.40 H new ATOM 374 N ILE A 50 0.577 7.936 -4.014 1.00 0.24 N ATOM 375 CA ILE A 50 1.255 6.634 -3.808 1.00 0.23 C ATOM 376 C ILE A 50 2.640 6.827 -3.163 1.00 0.23 C ATOM 377 O ILE A 50 3.549 7.412 -3.764 1.00 0.32 O ATOM 378 CB ILE A 50 1.434 5.811 -5.117 1.00 0.29 C ATOM 379 CG1 ILE A 50 1.672 6.692 -6.365 1.00 0.34 C ATOM 380 CG2 ILE A 50 0.269 4.832 -5.336 1.00 0.33 C ATOM 381 CD1 ILE A 50 2.219 5.930 -7.575 1.00 0.52 C ATOM 0 H ILE A 50 1.243 8.705 -4.089 1.00 0.24 H new ATOM 0 HA ILE A 50 0.597 6.073 -3.145 1.00 0.23 H new ATOM 0 HB ILE A 50 2.344 5.227 -4.979 1.00 0.29 H new ATOM 0 HG12 ILE A 50 0.732 7.169 -6.644 1.00 0.34 H new ATOM 0 HG13 ILE A 50 2.369 7.489 -6.106 1.00 0.34 H new ATOM 0 HG21 ILE A 50 0.430 4.276 -6.259 1.00 0.33 H new ATOM 0 HG22 ILE A 50 0.216 4.137 -4.498 1.00 0.33 H new ATOM 0 HG23 ILE A 50 -0.666 5.388 -5.406 1.00 0.33 H new ATOM 0 HD11 ILE A 50 2.358 6.620 -8.407 1.00 0.52 H new ATOM 0 HD12 ILE A 50 3.176 5.476 -7.317 1.00 0.52 H new ATOM 0 HD13 ILE A 50 1.514 5.151 -7.863 1.00 0.52 H new ATOM 393 N LYS A 51 2.819 6.306 -1.942 1.00 0.24 N ATOM 394 CA LYS A 51 4.069 6.363 -1.162 1.00 0.25 C ATOM 395 C LYS A 51 4.120 5.312 -0.042 1.00 0.25 C ATOM 396 O LYS A 51 3.072 4.879 0.444 1.00 0.26 O ATOM 397 CB LYS A 51 4.262 7.785 -0.624 1.00 0.33 C ATOM 398 CG LYS A 51 3.074 8.331 0.187 1.00 0.44 C ATOM 399 CD LYS A 51 3.041 9.860 0.153 1.00 0.58 C ATOM 400 CE LYS A 51 2.495 10.365 -1.192 1.00 0.70 C ATOM 401 NZ LYS A 51 2.583 11.839 -1.281 1.00 1.11 N ATOM 0 H LYS A 51 2.073 5.815 -1.450 1.00 0.24 H new ATOM 0 HA LYS A 51 4.898 6.116 -1.825 1.00 0.25 H new ATOM 0 HB2 LYS A 51 5.153 7.804 0.004 1.00 0.33 H new ATOM 0 HB3 LYS A 51 4.450 8.454 -1.464 1.00 0.33 H new ATOM 0 HG2 LYS A 51 2.142 7.935 -0.216 1.00 0.44 H new ATOM 0 HG3 LYS A 51 3.146 7.988 1.219 1.00 0.44 H new ATOM 0 HD2 LYS A 51 2.418 10.233 0.966 1.00 0.58 H new ATOM 0 HD3 LYS A 51 4.045 10.253 0.314 1.00 0.58 H new ATOM 0 HE2 LYS A 51 3.058 9.914 -2.009 1.00 0.70 H new ATOM 0 HE3 LYS A 51 1.458 10.052 -1.308 1.00 0.70 H new ATOM 0 HZ1 LYS A 51 2.208 12.154 -2.198 1.00 1.11 H new ATOM 0 HZ2 LYS A 51 2.026 12.267 -0.514 1.00 1.11 H new ATOM 0 HZ3 LYS A 51 3.577 12.133 -1.193 1.00 1.11 H new ATOM 415 N VAL A 52 5.335 4.906 0.346 1.00 0.26 N ATOM 416 CA VAL A 52 5.628 3.837 1.327 1.00 0.25 C ATOM 417 C VAL A 52 6.713 4.295 2.313 1.00 0.27 C ATOM 418 O VAL A 52 7.672 4.969 1.927 1.00 0.35 O ATOM 419 CB VAL A 52 6.092 2.535 0.619 1.00 0.26 C ATOM 420 CG1 VAL A 52 6.181 1.336 1.574 1.00 0.29 C ATOM 421 CG2 VAL A 52 5.197 2.115 -0.560 1.00 0.29 C ATOM 0 H VAL A 52 6.184 5.329 -0.029 1.00 0.26 H new ATOM 0 HA VAL A 52 4.707 3.629 1.871 1.00 0.25 H new ATOM 0 HB VAL A 52 7.082 2.794 0.244 1.00 0.26 H new ATOM 0 HG11 VAL A 52 6.510 0.455 1.023 1.00 0.29 H new ATOM 0 HG12 VAL A 52 6.895 1.555 2.368 1.00 0.29 H new ATOM 0 HG13 VAL A 52 5.201 1.145 2.011 1.00 0.29 H new ATOM 0 HG21 VAL A 52 5.585 1.198 -1.003 1.00 0.29 H new ATOM 0 HG22 VAL A 52 4.181 1.944 -0.203 1.00 0.29 H new ATOM 0 HG23 VAL A 52 5.189 2.905 -1.311 1.00 0.29 H new ATOM 431 N THR A 53 6.591 3.890 3.578 1.00 0.28 N ATOM 432 CA THR A 53 7.575 4.104 4.649 1.00 0.32 C ATOM 433 C THR A 53 7.806 2.819 5.437 1.00 0.32 C ATOM 434 O THR A 53 6.869 2.237 5.970 1.00 0.28 O ATOM 435 CB THR A 53 7.097 5.217 5.604 1.00 0.35 C ATOM 436 OG1 THR A 53 6.844 6.423 4.910 1.00 0.43 O ATOM 437 CG2 THR A 53 8.109 5.553 6.696 1.00 0.46 C ATOM 0 H THR A 53 5.769 3.381 3.902 1.00 0.28 H new ATOM 0 HA THR A 53 8.515 4.407 4.187 1.00 0.32 H new ATOM 0 HB THR A 53 6.189 4.815 6.055 1.00 0.35 H new ATOM 0 HG1 THR A 53 6.541 7.107 5.543 1.00 0.43 H new ATOM 0 HG21 THR A 53 7.709 6.343 7.332 1.00 0.46 H new ATOM 0 HG22 THR A 53 8.302 4.665 7.298 1.00 0.46 H new ATOM 0 HG23 THR A 53 9.039 5.891 6.239 1.00 0.46 H new ATOM 445 N ASP A 54 9.055 2.378 5.548 1.00 0.39 N ATOM 446 CA ASP A 54 9.462 1.265 6.408 1.00 0.31 C ATOM 447 C ASP A 54 9.494 1.677 7.883 1.00 0.27 C ATOM 448 O ASP A 54 10.087 2.691 8.274 1.00 0.39 O ATOM 449 CB ASP A 54 10.852 0.757 5.962 1.00 0.35 C ATOM 450 CG ASP A 54 11.522 -0.092 7.055 1.00 0.50 C ATOM 451 OD1 ASP A 54 10.899 -1.076 7.499 1.00 1.51 O ATOM 452 OD2 ASP A 54 12.623 0.288 7.527 1.00 1.82 O ATOM 0 H ASP A 54 9.832 2.792 5.032 1.00 0.39 H new ATOM 0 HA ASP A 54 8.728 0.465 6.309 1.00 0.31 H new ATOM 0 HB2 ASP A 54 10.749 0.165 5.053 1.00 0.35 H new ATOM 0 HB3 ASP A 54 11.490 1.607 5.719 1.00 0.35 H new ATOM 457 N ILE A 55 8.894 0.817 8.703 1.00 0.23 N ATOM 458 CA ILE A 55 8.795 0.933 10.159 1.00 0.37 C ATOM 459 C ILE A 55 9.142 -0.411 10.845 1.00 0.49 C ATOM 460 O ILE A 55 8.687 -0.696 11.955 1.00 0.60 O ATOM 461 CB ILE A 55 7.432 1.574 10.537 1.00 0.39 C ATOM 462 CG1 ILE A 55 6.222 0.727 10.073 1.00 0.30 C ATOM 463 CG2 ILE A 55 7.358 3.020 10.002 1.00 0.46 C ATOM 464 CD1 ILE A 55 4.880 1.473 9.953 1.00 0.28 C ATOM 0 H ILE A 55 8.439 -0.026 8.352 1.00 0.23 H new ATOM 0 HA ILE A 55 9.546 1.618 10.554 1.00 0.37 H new ATOM 0 HB ILE A 55 7.373 1.602 11.625 1.00 0.39 H new ATOM 0 HG12 ILE A 55 6.460 0.291 9.103 1.00 0.30 H new ATOM 0 HG13 ILE A 55 6.094 -0.100 10.771 1.00 0.30 H new ATOM 0 HG21 ILE A 55 6.398 3.459 10.273 1.00 0.46 H new ATOM 0 HG22 ILE A 55 8.164 3.611 10.438 1.00 0.46 H new ATOM 0 HG23 ILE A 55 7.460 3.012 8.917 1.00 0.46 H new ATOM 0 HD11 ILE A 55 4.107 0.780 9.621 1.00 0.28 H new ATOM 0 HD12 ILE A 55 4.605 1.886 10.924 1.00 0.28 H new ATOM 0 HD13 ILE A 55 4.977 2.282 9.229 1.00 0.28 H new ATOM 476 N SER A 56 9.967 -1.239 10.181 1.00 0.53 N ATOM 477 CA SER A 56 10.499 -2.524 10.658 1.00 0.59 C ATOM 478 C SER A 56 12.005 -2.675 10.398 1.00 0.62 C ATOM 479 O SER A 56 12.448 -3.520 9.619 1.00 0.65 O ATOM 480 CB SER A 56 9.667 -3.675 10.102 1.00 0.62 C ATOM 481 OG SER A 56 10.121 -4.950 10.530 1.00 1.35 O ATOM 0 H SER A 56 10.299 -1.015 9.243 1.00 0.53 H new ATOM 0 HA SER A 56 10.406 -2.551 11.744 1.00 0.59 H new ATOM 0 HB2 SER A 56 8.629 -3.545 10.407 1.00 0.62 H new ATOM 0 HB3 SER A 56 9.687 -3.636 9.013 1.00 0.62 H new ATOM 0 HG SER A 56 9.406 -5.403 11.024 1.00 1.35 H new ATOM 487 N GLY A 57 12.828 -1.907 11.115 1.00 0.76 N ATOM 488 CA GLY A 57 14.288 -1.926 10.966 1.00 0.89 C ATOM 489 C GLY A 57 14.964 -3.303 11.099 1.00 1.09 C ATOM 490 O GLY A 57 16.021 -3.518 10.502 1.00 1.50 O ATOM 0 H GLY A 57 12.499 -1.249 11.821 1.00 0.76 H new ATOM 0 HA2 GLY A 57 14.539 -1.514 9.989 1.00 0.89 H new ATOM 0 HA3 GLY A 57 14.718 -1.259 11.713 1.00 0.89 H new ATOM 494 N GLY A 58 14.356 -4.261 11.808 1.00 0.98 N ATOM 495 CA GLY A 58 14.929 -5.589 12.081 1.00 1.15 C ATOM 496 C GLY A 58 14.648 -6.676 11.035 1.00 1.20 C ATOM 497 O GLY A 58 15.341 -7.699 11.025 1.00 1.50 O ATOM 0 H GLY A 58 13.431 -4.134 12.218 1.00 0.98 H new ATOM 0 HA2 GLY A 58 16.009 -5.482 12.182 1.00 1.15 H new ATOM 0 HA3 GLY A 58 14.551 -5.934 13.044 1.00 1.15 H new ATOM 501 N CYS A 59 13.642 -6.461 10.179 1.00 1.09 N ATOM 502 CA CYS A 59 13.021 -7.496 9.335 1.00 1.24 C ATOM 503 C CYS A 59 12.356 -6.950 8.054 1.00 1.07 C ATOM 504 O CYS A 59 12.287 -7.638 7.029 1.00 1.30 O ATOM 505 CB CYS A 59 11.923 -8.158 10.188 1.00 1.43 C ATOM 506 SG CYS A 59 12.597 -9.458 11.260 1.00 1.72 S ATOM 0 H CYS A 59 13.225 -5.540 10.049 1.00 1.09 H new ATOM 0 HA CYS A 59 13.807 -8.178 9.012 1.00 1.24 H new ATOM 0 HB2 CYS A 59 11.431 -7.401 10.799 1.00 1.43 H new ATOM 0 HB3 CYS A 59 11.162 -8.584 9.534 1.00 1.43 H new ATOM 0 HG CYS A 59 13.848 -9.209 11.510 1.00 1.72 H new ATOM 512 N GLY A 60 11.812 -5.736 8.109 1.00 0.80 N ATOM 513 CA GLY A 60 10.913 -5.166 7.111 1.00 0.72 C ATOM 514 C GLY A 60 9.575 -5.914 7.012 1.00 0.69 C ATOM 515 O GLY A 60 9.156 -6.277 5.911 1.00 0.79 O ATOM 0 H GLY A 60 11.994 -5.097 8.883 1.00 0.80 H new ATOM 0 HA2 GLY A 60 10.722 -4.121 7.357 1.00 0.72 H new ATOM 0 HA3 GLY A 60 11.404 -5.180 6.138 1.00 0.72 H new ATOM 519 N ALA A 61 8.948 -6.195 8.161 1.00 0.63 N ATOM 520 CA ALA A 61 7.633 -6.837 8.303 1.00 0.67 C ATOM 521 C ALA A 61 6.468 -5.846 8.534 1.00 0.61 C ATOM 522 O ALA A 61 5.320 -6.273 8.640 1.00 0.91 O ATOM 523 CB ALA A 61 7.718 -7.865 9.443 1.00 0.80 C ATOM 0 H ALA A 61 9.365 -5.969 9.064 1.00 0.63 H new ATOM 0 HA ALA A 61 7.399 -7.324 7.356 1.00 0.67 H new ATOM 0 HB1 ALA A 61 6.751 -8.354 9.565 1.00 0.80 H new ATOM 0 HB2 ALA A 61 8.475 -8.612 9.203 1.00 0.80 H new ATOM 0 HB3 ALA A 61 7.989 -7.359 10.370 1.00 0.80 H new ATOM 529 N MET A 62 6.747 -4.539 8.616 1.00 0.59 N ATOM 530 CA MET A 62 5.771 -3.453 8.771 1.00 0.46 C ATOM 531 C MET A 62 6.115 -2.278 7.859 1.00 0.35 C ATOM 532 O MET A 62 7.274 -1.864 7.804 1.00 0.35 O ATOM 533 CB MET A 62 5.775 -2.892 10.205 1.00 0.56 C ATOM 534 CG MET A 62 5.004 -3.696 11.239 1.00 0.72 C ATOM 535 SD MET A 62 5.579 -3.592 12.958 1.00 1.31 S ATOM 536 CE MET A 62 7.115 -4.550 12.880 1.00 1.45 C ATOM 0 H MET A 62 7.706 -4.193 8.574 1.00 0.59 H new ATOM 0 HA MET A 62 4.800 -3.882 8.523 1.00 0.46 H new ATOM 0 HB2 MET A 62 6.810 -2.808 10.538 1.00 0.56 H new ATOM 0 HB3 MET A 62 5.365 -1.882 10.180 1.00 0.56 H new ATOM 0 HG2 MET A 62 3.963 -3.376 11.210 1.00 0.72 H new ATOM 0 HG3 MET A 62 5.024 -4.743 10.938 1.00 0.72 H new ATOM 0 HE1 MET A 62 7.316 -4.994 13.855 1.00 1.45 H new ATOM 0 HE2 MET A 62 7.014 -5.339 12.135 1.00 1.45 H new ATOM 0 HE3 MET A 62 7.940 -3.893 12.603 1.00 1.45 H new ATOM 546 N TYR A 63 5.092 -1.686 7.238 1.00 0.30 N ATOM 547 CA TYR A 63 5.217 -0.452 6.465 1.00 0.25 C ATOM 548 C TYR A 63 3.984 0.443 6.620 1.00 0.24 C ATOM 549 O TYR A 63 2.852 -0.028 6.691 1.00 0.29 O ATOM 550 CB TYR A 63 5.402 -0.766 4.980 1.00 0.35 C ATOM 551 CG TYR A 63 6.610 -1.604 4.610 1.00 0.36 C ATOM 552 CD1 TYR A 63 6.471 -3.002 4.627 1.00 1.72 C ATOM 553 CD2 TYR A 63 7.861 -1.037 4.310 1.00 1.87 C ATOM 554 CE1 TYR A 63 7.560 -3.846 4.399 1.00 1.77 C ATOM 555 CE2 TYR A 63 8.980 -1.875 4.134 1.00 1.83 C ATOM 556 CZ TYR A 63 8.836 -3.283 4.197 1.00 0.32 C ATOM 557 OH TYR A 63 9.906 -4.116 4.094 1.00 0.35 O ATOM 0 H TYR A 63 4.142 -2.057 7.259 1.00 0.30 H new ATOM 0 HA TYR A 63 6.089 0.075 6.851 1.00 0.25 H new ATOM 0 HB2 TYR A 63 4.509 -1.281 4.627 1.00 0.35 H new ATOM 0 HB3 TYR A 63 5.462 0.177 4.437 1.00 0.35 H new ATOM 0 HD1 TYR A 63 5.500 -3.434 4.821 1.00 1.72 H new ATOM 0 HD2 TYR A 63 7.964 0.034 4.215 1.00 1.87 H new ATOM 0 HE1 TYR A 63 7.426 -4.917 4.378 1.00 1.77 H new ATOM 0 HE2 TYR A 63 9.952 -1.442 3.950 1.00 1.83 H new ATOM 0 HH TYR A 63 9.737 -4.931 4.612 1.00 0.35 H new ATOM 567 N GLU A 64 4.201 1.746 6.590 1.00 0.25 N ATOM 568 CA GLU A 64 3.173 2.776 6.499 1.00 0.38 C ATOM 569 C GLU A 64 2.978 3.182 5.024 1.00 0.62 C ATOM 570 O GLU A 64 3.958 3.399 4.314 1.00 0.85 O ATOM 571 CB GLU A 64 3.560 3.917 7.451 1.00 0.75 C ATOM 572 CG GLU A 64 2.649 5.121 7.321 1.00 0.39 C ATOM 573 CD GLU A 64 2.849 6.157 8.433 1.00 0.94 C ATOM 574 OE1 GLU A 64 2.786 5.797 9.633 1.00 2.39 O ATOM 575 OE2 GLU A 64 3.010 7.364 8.126 1.00 1.18 O ATOM 0 H GLU A 64 5.142 2.136 6.630 1.00 0.25 H new ATOM 0 HA GLU A 64 2.194 2.422 6.822 1.00 0.38 H new ATOM 0 HB2 GLU A 64 3.531 3.553 8.478 1.00 0.75 H new ATOM 0 HB3 GLU A 64 4.587 4.220 7.249 1.00 0.75 H new ATOM 0 HG2 GLU A 64 2.823 5.597 6.356 1.00 0.39 H new ATOM 0 HG3 GLU A 64 1.612 4.786 7.329 1.00 0.39 H new ATOM 582 N ILE A 65 1.736 3.212 4.524 1.00 0.57 N ATOM 583 CA ILE A 65 1.431 3.311 3.082 1.00 0.50 C ATOM 584 C ILE A 65 0.280 4.291 2.840 1.00 0.39 C ATOM 585 O ILE A 65 -0.801 4.124 3.406 1.00 0.38 O ATOM 586 CB ILE A 65 1.070 1.916 2.510 1.00 0.52 C ATOM 587 CG1 ILE A 65 2.207 0.891 2.711 1.00 0.68 C ATOM 588 CG2 ILE A 65 0.693 2.009 1.016 1.00 0.47 C ATOM 589 CD1 ILE A 65 1.853 -0.554 2.352 1.00 0.79 C ATOM 0 H ILE A 65 0.903 3.168 5.111 1.00 0.57 H new ATOM 0 HA ILE A 65 2.318 3.683 2.570 1.00 0.50 H new ATOM 0 HB ILE A 65 0.204 1.562 3.070 1.00 0.52 H new ATOM 0 HG12 ILE A 65 3.062 1.199 2.110 1.00 0.68 H new ATOM 0 HG13 ILE A 65 2.523 0.922 3.754 1.00 0.68 H new ATOM 0 HG21 ILE A 65 0.444 1.016 0.641 1.00 0.47 H new ATOM 0 HG22 ILE A 65 -0.168 2.667 0.898 1.00 0.47 H new ATOM 0 HG23 ILE A 65 1.536 2.409 0.452 1.00 0.47 H new ATOM 0 HD11 ILE A 65 2.717 -1.195 2.528 1.00 0.79 H new ATOM 0 HD12 ILE A 65 1.021 -0.889 2.971 1.00 0.79 H new ATOM 0 HD13 ILE A 65 1.569 -0.609 1.301 1.00 0.79 H new ATOM 601 N LYS A 66 0.457 5.250 1.924 1.00 0.33 N ATOM 602 CA LYS A 66 -0.606 6.178 1.485 1.00 0.26 C ATOM 603 C LYS A 66 -0.922 5.959 0.015 1.00 0.22 C ATOM 604 O LYS A 66 -0.015 6.039 -0.814 1.00 0.35 O ATOM 605 CB LYS A 66 -0.217 7.647 1.744 1.00 0.58 C ATOM 606 CG LYS A 66 -0.696 8.179 3.099 1.00 1.05 C ATOM 607 CD LYS A 66 -0.457 9.689 3.199 1.00 1.95 C ATOM 608 CE LYS A 66 -0.911 10.212 4.562 1.00 2.52 C ATOM 609 NZ LYS A 66 -0.929 11.690 4.589 1.00 3.77 N ATOM 0 H LYS A 66 1.350 5.410 1.458 1.00 0.33 H new ATOM 0 HA LYS A 66 -1.499 5.966 2.073 1.00 0.26 H new ATOM 0 HB2 LYS A 66 0.867 7.742 1.689 1.00 0.58 H new ATOM 0 HB3 LYS A 66 -0.632 8.269 0.951 1.00 0.58 H new ATOM 0 HG2 LYS A 66 -1.757 7.964 3.226 1.00 1.05 H new ATOM 0 HG3 LYS A 66 -0.168 7.667 3.904 1.00 1.05 H new ATOM 0 HD2 LYS A 66 0.601 9.906 3.053 1.00 1.95 H new ATOM 0 HD3 LYS A 66 -1.000 10.203 2.406 1.00 1.95 H new ATOM 0 HE2 LYS A 66 -1.906 9.829 4.788 1.00 2.52 H new ATOM 0 HE3 LYS A 66 -0.243 9.840 5.338 1.00 2.52 H new ATOM 0 HZ1 LYS A 66 -1.241 12.016 5.526 1.00 3.77 H new ATOM 0 HZ2 LYS A 66 0.027 12.052 4.397 1.00 3.77 H new ATOM 0 HZ3 LYS A 66 -1.585 12.042 3.863 1.00 3.77 H new ATOM 623 N ILE A 67 -2.197 5.709 -0.293 1.00 0.21 N ATOM 624 CA ILE A 67 -2.739 5.605 -1.649 1.00 0.29 C ATOM 625 C ILE A 67 -3.983 6.506 -1.787 1.00 0.38 C ATOM 626 O ILE A 67 -4.662 6.788 -0.806 1.00 0.42 O ATOM 627 CB ILE A 67 -3.014 4.145 -2.067 1.00 0.33 C ATOM 628 CG1 ILE A 67 -1.891 3.205 -1.576 1.00 0.28 C ATOM 629 CG2 ILE A 67 -3.172 4.084 -3.591 1.00 0.42 C ATOM 630 CD1 ILE A 67 -1.633 1.945 -2.396 1.00 0.36 C ATOM 0 H ILE A 67 -2.908 5.568 0.425 1.00 0.21 H new ATOM 0 HA ILE A 67 -1.982 5.963 -2.346 1.00 0.29 H new ATOM 0 HB ILE A 67 -3.938 3.802 -1.601 1.00 0.33 H new ATOM 0 HG12 ILE A 67 -0.964 3.777 -1.535 1.00 0.28 H new ATOM 0 HG13 ILE A 67 -2.125 2.903 -0.555 1.00 0.28 H new ATOM 0 HG21 ILE A 67 -3.367 3.056 -3.896 1.00 0.42 H new ATOM 0 HG22 ILE A 67 -4.005 4.717 -3.896 1.00 0.42 H new ATOM 0 HG23 ILE A 67 -2.256 4.436 -4.066 1.00 0.42 H new ATOM 0 HD11 ILE A 67 -0.821 1.376 -1.943 1.00 0.36 H new ATOM 0 HD12 ILE A 67 -2.536 1.335 -2.419 1.00 0.36 H new ATOM 0 HD13 ILE A 67 -1.357 2.223 -3.413 1.00 0.36 H new ATOM 642 N GLU A 68 -4.331 6.953 -2.987 1.00 0.42 N ATOM 643 CA GLU A 68 -5.588 7.657 -3.282 1.00 0.40 C ATOM 644 C GLU A 68 -5.895 7.540 -4.778 1.00 0.38 C ATOM 645 O GLU A 68 -4.984 7.727 -5.572 1.00 0.43 O ATOM 646 CB GLU A 68 -5.392 9.113 -2.864 1.00 0.41 C ATOM 647 CG GLU A 68 -6.581 10.047 -3.109 1.00 0.43 C ATOM 648 CD GLU A 68 -6.278 11.478 -2.657 1.00 0.55 C ATOM 649 OE1 GLU A 68 -6.457 11.773 -1.448 1.00 1.57 O ATOM 650 OE2 GLU A 68 -5.860 12.306 -3.506 1.00 2.01 O ATOM 0 H GLU A 68 -3.737 6.837 -3.808 1.00 0.42 H new ATOM 0 HA GLU A 68 -6.431 7.228 -2.741 1.00 0.40 H new ATOM 0 HB2 GLU A 68 -5.150 9.136 -1.801 1.00 0.41 H new ATOM 0 HB3 GLU A 68 -4.528 9.510 -3.396 1.00 0.41 H new ATOM 0 HG2 GLU A 68 -6.833 10.046 -4.170 1.00 0.43 H new ATOM 0 HG3 GLU A 68 -7.454 9.673 -2.574 1.00 0.43 H new ATOM 657 N SER A 69 -7.124 7.202 -5.182 1.00 0.32 N ATOM 658 CA SER A 69 -7.476 6.961 -6.598 1.00 0.34 C ATOM 659 C SER A 69 -8.979 7.017 -6.835 1.00 0.33 C ATOM 660 O SER A 69 -9.747 6.610 -5.967 1.00 0.27 O ATOM 661 CB SER A 69 -7.011 5.565 -7.023 1.00 0.39 C ATOM 662 OG SER A 69 -7.150 5.373 -8.420 1.00 0.45 O ATOM 0 H SER A 69 -7.909 7.086 -4.541 1.00 0.32 H new ATOM 0 HA SER A 69 -6.985 7.745 -7.175 1.00 0.34 H new ATOM 0 HB2 SER A 69 -5.968 5.425 -6.738 1.00 0.39 H new ATOM 0 HB3 SER A 69 -7.591 4.810 -6.492 1.00 0.39 H new ATOM 0 HG SER A 69 -6.821 4.482 -8.662 1.00 0.45 H new ATOM 668 N GLU A 70 -9.408 7.480 -8.013 1.00 0.43 N ATOM 669 CA GLU A 70 -10.820 7.625 -8.410 1.00 0.48 C ATOM 670 C GLU A 70 -11.628 6.321 -8.251 1.00 0.53 C ATOM 671 O GLU A 70 -12.826 6.351 -7.977 1.00 0.73 O ATOM 672 CB GLU A 70 -10.888 8.135 -9.865 1.00 0.70 C ATOM 673 CG GLU A 70 -11.712 9.414 -10.036 1.00 1.75 C ATOM 674 CD GLU A 70 -13.173 9.140 -10.406 1.00 3.06 C ATOM 675 OE1 GLU A 70 -13.477 8.956 -11.610 1.00 3.02 O ATOM 676 OE2 GLU A 70 -14.057 9.108 -9.518 1.00 4.77 O ATOM 0 H GLU A 70 -8.762 7.776 -8.745 1.00 0.43 H new ATOM 0 HA GLU A 70 -11.280 8.349 -7.737 1.00 0.48 H new ATOM 0 HB2 GLU A 70 -9.875 8.316 -10.224 1.00 0.70 H new ATOM 0 HB3 GLU A 70 -11.314 7.353 -10.494 1.00 0.70 H new ATOM 0 HG2 GLU A 70 -11.679 9.987 -9.110 1.00 1.75 H new ATOM 0 HG3 GLU A 70 -11.257 10.032 -10.810 1.00 1.75 H new ATOM 683 N GLU A 71 -10.972 5.166 -8.372 1.00 0.46 N ATOM 684 CA GLU A 71 -11.568 3.833 -8.200 1.00 0.49 C ATOM 685 C GLU A 71 -12.058 3.511 -6.774 1.00 0.45 C ATOM 686 O GLU A 71 -12.893 2.621 -6.606 1.00 0.55 O ATOM 687 CB GLU A 71 -10.575 2.770 -8.694 1.00 0.51 C ATOM 688 CG GLU A 71 -9.428 2.504 -7.710 1.00 0.34 C ATOM 689 CD GLU A 71 -8.184 2.013 -8.469 1.00 0.40 C ATOM 690 OE1 GLU A 71 -7.254 2.820 -8.698 1.00 1.48 O ATOM 691 OE2 GLU A 71 -8.164 0.840 -8.919 1.00 1.82 O ATOM 0 H GLU A 71 -9.979 5.127 -8.600 1.00 0.46 H new ATOM 0 HA GLU A 71 -12.477 3.826 -8.802 1.00 0.49 H new ATOM 0 HB2 GLU A 71 -11.111 1.839 -8.876 1.00 0.51 H new ATOM 0 HB3 GLU A 71 -10.158 3.089 -9.649 1.00 0.51 H new ATOM 0 HG2 GLU A 71 -9.192 3.415 -7.160 1.00 0.34 H new ATOM 0 HG3 GLU A 71 -9.734 1.758 -6.976 1.00 0.34 H new ATOM 698 N PHE A 72 -11.573 4.214 -5.742 1.00 0.34 N ATOM 699 CA PHE A 72 -11.772 3.837 -4.337 1.00 0.36 C ATOM 700 C PHE A 72 -13.095 4.311 -3.716 1.00 0.51 C ATOM 701 O PHE A 72 -13.342 4.068 -2.533 1.00 0.60 O ATOM 702 CB PHE A 72 -10.567 4.341 -3.530 1.00 0.28 C ATOM 703 CG PHE A 72 -9.333 3.459 -3.498 1.00 0.24 C ATOM 704 CD1 PHE A 72 -9.422 2.064 -3.312 1.00 1.91 C ATOM 705 CD2 PHE A 72 -8.066 4.062 -3.583 1.00 1.98 C ATOM 706 CE1 PHE A 72 -8.256 1.285 -3.242 1.00 1.90 C ATOM 707 CE2 PHE A 72 -6.902 3.287 -3.501 1.00 1.99 C ATOM 708 CZ PHE A 72 -6.995 1.896 -3.342 1.00 0.26 C ATOM 0 H PHE A 72 -11.027 5.067 -5.860 1.00 0.34 H new ATOM 0 HA PHE A 72 -11.844 2.750 -4.304 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -10.277 5.313 -3.929 1.00 0.28 H new ATOM 0 HB3 PHE A 72 -10.893 4.503 -2.502 1.00 0.28 H new ATOM 0 HD1 PHE A 72 -10.390 1.593 -3.223 1.00 1.91 H new ATOM 0 HD2 PHE A 72 -7.989 5.131 -3.713 1.00 1.98 H new ATOM 0 HE1 PHE A 72 -8.329 0.215 -3.111 1.00 1.90 H new ATOM 0 HE2 PHE A 72 -5.933 3.760 -3.560 1.00 1.99 H new ATOM 0 HZ PHE A 72 -6.098 1.296 -3.297 1.00 0.26 H new ATOM 718 N LYS A 73 -13.962 4.974 -4.488 1.00 0.62 N ATOM 719 CA LYS A 73 -15.232 5.543 -3.988 1.00 0.80 C ATOM 720 C LYS A 73 -16.241 4.457 -3.616 1.00 0.89 C ATOM 721 O LYS A 73 -16.797 4.437 -2.520 1.00 1.35 O ATOM 722 CB LYS A 73 -15.840 6.542 -5.000 1.00 0.92 C ATOM 723 CG LYS A 73 -15.932 5.980 -6.430 1.00 0.93 C ATOM 724 CD LYS A 73 -16.513 6.967 -7.437 1.00 1.20 C ATOM 725 CE LYS A 73 -16.449 6.309 -8.818 1.00 1.28 C ATOM 726 NZ LYS A 73 -15.130 6.522 -9.461 1.00 2.91 N ATOM 0 H LYS A 73 -13.808 5.135 -5.483 1.00 0.62 H new ATOM 0 HA LYS A 73 -14.995 6.090 -3.076 1.00 0.80 H new ATOM 0 HB2 LYS A 73 -16.837 6.827 -4.664 1.00 0.92 H new ATOM 0 HB3 LYS A 73 -15.236 7.449 -5.012 1.00 0.92 H new ATOM 0 HG2 LYS A 73 -14.937 5.682 -6.759 1.00 0.93 H new ATOM 0 HG3 LYS A 73 -16.547 5.080 -6.419 1.00 0.93 H new ATOM 0 HD2 LYS A 73 -17.542 7.217 -7.179 1.00 1.20 H new ATOM 0 HD3 LYS A 73 -15.948 7.899 -7.430 1.00 1.20 H new ATOM 0 HE2 LYS A 73 -16.640 5.240 -8.722 1.00 1.28 H new ATOM 0 HE3 LYS A 73 -17.235 6.717 -9.453 1.00 1.28 H new ATOM 0 HZ1 LYS A 73 -15.103 6.021 -10.372 1.00 2.91 H new ATOM 0 HZ2 LYS A 73 -14.982 7.539 -9.621 1.00 2.91 H new ATOM 0 HZ3 LYS A 73 -14.379 6.156 -8.842 1.00 2.91 H new ATOM 740 N GLU A 74 -16.379 3.507 -4.535 1.00 0.63 N ATOM 741 CA GLU A 74 -17.371 2.435 -4.604 1.00 0.71 C ATOM 742 C GLU A 74 -16.946 1.218 -3.758 1.00 0.78 C ATOM 743 O GLU A 74 -17.136 0.061 -4.139 1.00 1.38 O ATOM 744 CB GLU A 74 -17.659 2.166 -6.102 1.00 0.93 C ATOM 745 CG GLU A 74 -16.433 1.672 -6.902 1.00 2.66 C ATOM 746 CD GLU A 74 -16.595 1.747 -8.430 1.00 3.17 C ATOM 747 OE1 GLU A 74 -15.793 1.087 -9.136 1.00 4.18 O ATOM 748 OE2 GLU A 74 -17.446 2.510 -8.948 1.00 3.46 O ATOM 0 H GLU A 74 -15.738 3.463 -5.327 1.00 0.63 H new ATOM 0 HA GLU A 74 -18.319 2.719 -4.146 1.00 0.71 H new ATOM 0 HB2 GLU A 74 -18.453 1.424 -6.180 1.00 0.93 H new ATOM 0 HB3 GLU A 74 -18.032 3.082 -6.559 1.00 0.93 H new ATOM 0 HG2 GLU A 74 -15.564 2.263 -6.612 1.00 2.66 H new ATOM 0 HG3 GLU A 74 -16.224 0.639 -6.622 1.00 2.66 H new ATOM 755 N LYS A 75 -16.290 1.504 -2.624 1.00 0.52 N ATOM 756 CA LYS A 75 -15.641 0.572 -1.702 1.00 0.50 C ATOM 757 C LYS A 75 -15.880 0.987 -0.260 1.00 0.59 C ATOM 758 O LYS A 75 -15.763 2.168 0.081 1.00 0.66 O ATOM 759 CB LYS A 75 -14.126 0.566 -1.965 1.00 0.42 C ATOM 760 CG LYS A 75 -13.728 0.149 -3.379 1.00 0.42 C ATOM 761 CD LYS A 75 -13.954 -1.342 -3.665 1.00 0.55 C ATOM 762 CE LYS A 75 -14.056 -1.491 -5.178 1.00 0.74 C ATOM 763 NZ LYS A 75 -13.982 -2.906 -5.614 1.00 1.30 N ATOM 0 H LYS A 75 -16.194 2.469 -2.307 1.00 0.52 H new ATOM 0 HA LYS A 75 -16.062 -0.420 -1.864 1.00 0.50 H new ATOM 0 HB2 LYS A 75 -13.733 1.564 -1.770 1.00 0.42 H new ATOM 0 HB3 LYS A 75 -13.650 -0.109 -1.254 1.00 0.42 H new ATOM 0 HG2 LYS A 75 -14.298 0.739 -4.097 1.00 0.42 H new ATOM 0 HG3 LYS A 75 -12.676 0.385 -3.536 1.00 0.42 H new ATOM 0 HD2 LYS A 75 -13.131 -1.940 -3.273 1.00 0.55 H new ATOM 0 HD3 LYS A 75 -14.864 -1.695 -3.180 1.00 0.55 H new ATOM 0 HE2 LYS A 75 -14.995 -1.057 -5.520 1.00 0.74 H new ATOM 0 HE3 LYS A 75 -13.253 -0.926 -5.651 1.00 0.74 H new ATOM 0 HZ1 LYS A 75 -14.056 -2.954 -6.650 1.00 1.30 H new ATOM 0 HZ2 LYS A 75 -13.075 -3.315 -5.312 1.00 1.30 H new ATOM 0 HZ3 LYS A 75 -14.763 -3.442 -5.186 1.00 1.30 H new ATOM 777 N ARG A 76 -16.116 0.013 0.617 1.00 0.62 N ATOM 778 CA ARG A 76 -16.022 0.188 2.052 1.00 0.65 C ATOM 779 C ARG A 76 -14.578 0.417 2.492 1.00 0.56 C ATOM 780 O ARG A 76 -13.657 0.158 1.723 1.00 0.41 O ATOM 781 CB ARG A 76 -16.536 -1.071 2.729 1.00 0.69 C ATOM 782 CG ARG A 76 -17.873 -1.643 2.244 1.00 0.83 C ATOM 783 CD ARG A 76 -18.517 -2.447 3.371 1.00 1.63 C ATOM 784 NE ARG A 76 -19.847 -2.951 2.996 1.00 1.85 N ATOM 785 CZ ARG A 76 -20.663 -3.589 3.812 1.00 2.74 C ATOM 786 NH1 ARG A 76 -20.347 -3.851 5.040 1.00 3.72 N ATOM 787 NH2 ARG A 76 -21.840 -3.977 3.441 1.00 3.09 N ATOM 0 H ARG A 76 -16.381 -0.932 0.339 1.00 0.62 H new ATOM 0 HA ARG A 76 -16.613 1.060 2.332 1.00 0.65 H new ATOM 0 HB2 ARG A 76 -15.778 -1.846 2.616 1.00 0.69 H new ATOM 0 HB3 ARG A 76 -16.626 -0.866 3.796 1.00 0.69 H new ATOM 0 HG2 ARG A 76 -18.536 -0.835 1.933 1.00 0.83 H new ATOM 0 HG3 ARG A 76 -17.715 -2.279 1.373 1.00 0.83 H new ATOM 0 HD2 ARG A 76 -17.872 -3.286 3.633 1.00 1.63 H new ATOM 0 HD3 ARG A 76 -18.603 -1.822 4.259 1.00 1.63 H new ATOM 0 HE ARG A 76 -20.160 -2.796 2.038 1.00 1.85 H new ATOM 0 HH11 ARG A 76 -19.440 -3.562 5.406 1.00 3.72 H new ATOM 0 HH12 ARG A 76 -21.005 -4.347 5.641 1.00 3.72 H new ATOM 0 HH21 ARG A 76 -22.162 -3.792 2.491 1.00 3.09 H new ATOM 0 HH22 ARG A 76 -22.446 -4.468 4.098 1.00 3.09 H new ATOM 801 N THR A 77 -14.364 0.745 3.760 1.00 0.69 N ATOM 802 CA THR A 77 -13.031 0.759 4.386 1.00 0.68 C ATOM 803 C THR A 77 -12.260 -0.546 4.172 1.00 0.60 C ATOM 804 O THR A 77 -11.168 -0.537 3.603 1.00 0.54 O ATOM 805 CB THR A 77 -13.197 1.068 5.875 1.00 0.76 C ATOM 806 OG1 THR A 77 -13.662 2.393 6.030 1.00 0.81 O ATOM 807 CG2 THR A 77 -11.922 0.933 6.707 1.00 0.93 C ATOM 0 H THR A 77 -15.114 1.013 4.397 1.00 0.69 H new ATOM 0 HA THR A 77 -12.432 1.534 3.907 1.00 0.68 H new ATOM 0 HB THR A 77 -13.903 0.323 6.242 1.00 0.76 H new ATOM 0 HG1 THR A 77 -13.771 2.592 6.983 1.00 0.81 H new ATOM 0 HG21 THR A 77 -12.140 1.172 7.748 1.00 0.93 H new ATOM 0 HG22 THR A 77 -11.550 -0.089 6.640 1.00 0.93 H new ATOM 0 HG23 THR A 77 -11.166 1.620 6.328 1.00 0.93 H new ATOM 815 N VAL A 78 -12.861 -1.679 4.540 1.00 0.60 N ATOM 816 CA VAL A 78 -12.294 -3.024 4.337 1.00 0.56 C ATOM 817 C VAL A 78 -11.979 -3.317 2.867 1.00 0.45 C ATOM 818 O VAL A 78 -10.944 -3.918 2.572 1.00 0.46 O ATOM 819 CB VAL A 78 -13.236 -4.088 4.937 1.00 0.63 C ATOM 820 CG1 VAL A 78 -14.617 -4.098 4.281 1.00 0.68 C ATOM 821 CG2 VAL A 78 -12.657 -5.500 4.862 1.00 0.66 C ATOM 0 H VAL A 78 -13.773 -1.693 4.997 1.00 0.60 H new ATOM 0 HA VAL A 78 -11.339 -3.062 4.861 1.00 0.56 H new ATOM 0 HB VAL A 78 -13.340 -3.798 5.982 1.00 0.63 H new ATOM 0 HG11 VAL A 78 -15.235 -4.867 4.745 1.00 0.68 H new ATOM 0 HG12 VAL A 78 -15.089 -3.125 4.413 1.00 0.68 H new ATOM 0 HG13 VAL A 78 -14.513 -4.310 3.217 1.00 0.68 H new ATOM 0 HG21 VAL A 78 -13.363 -6.206 5.299 1.00 0.66 H new ATOM 0 HG22 VAL A 78 -12.477 -5.764 3.820 1.00 0.66 H new ATOM 0 HG23 VAL A 78 -11.718 -5.538 5.414 1.00 0.66 H new ATOM 831 N GLN A 79 -12.827 -2.852 1.942 1.00 0.40 N ATOM 832 CA GLN A 79 -12.663 -3.112 0.507 1.00 0.39 C ATOM 833 C GLN A 79 -11.637 -2.184 -0.161 1.00 0.33 C ATOM 834 O GLN A 79 -10.921 -2.640 -1.045 1.00 0.49 O ATOM 835 CB GLN A 79 -14.012 -3.112 -0.233 1.00 0.50 C ATOM 836 CG GLN A 79 -15.001 -4.151 0.319 1.00 0.67 C ATOM 837 CD GLN A 79 -15.749 -4.908 -0.775 1.00 0.90 C ATOM 838 OE1 GLN A 79 -15.434 -6.051 -1.083 1.00 1.19 O ATOM 839 NE2 GLN A 79 -16.722 -4.312 -1.422 1.00 0.97 N ATOM 0 H GLN A 79 -13.645 -2.286 2.167 1.00 0.40 H new ATOM 0 HA GLN A 79 -12.250 -4.118 0.427 1.00 0.39 H new ATOM 0 HB2 GLN A 79 -14.459 -2.120 -0.162 1.00 0.50 H new ATOM 0 HB3 GLN A 79 -13.840 -3.309 -1.291 1.00 0.50 H new ATOM 0 HG2 GLN A 79 -14.460 -4.864 0.941 1.00 0.67 H new ATOM 0 HG3 GLN A 79 -15.723 -3.650 0.964 1.00 0.67 H new ATOM 0 HE21 GLN A 79 -16.992 -3.360 -1.173 1.00 0.97 H new ATOM 0 HE22 GLN A 79 -17.209 -4.800 -2.174 1.00 0.97 H new ATOM 848 N GLN A 80 -11.481 -0.932 0.284 1.00 0.22 N ATOM 849 CA GLN A 80 -10.353 -0.092 -0.139 1.00 0.21 C ATOM 850 C GLN A 80 -9.030 -0.735 0.302 1.00 0.20 C ATOM 851 O GLN A 80 -8.143 -0.929 -0.527 1.00 0.27 O ATOM 852 CB GLN A 80 -10.432 1.318 0.467 1.00 0.28 C ATOM 853 CG GLN A 80 -11.541 2.236 -0.066 1.00 0.29 C ATOM 854 CD GLN A 80 -11.474 3.637 0.548 1.00 0.37 C ATOM 855 OE1 GLN A 80 -10.743 3.908 1.495 1.00 0.44 O ATOM 856 NE2 GLN A 80 -12.224 4.585 0.041 1.00 0.64 N ATOM 0 H GLN A 80 -12.120 -0.478 0.936 1.00 0.22 H new ATOM 0 HA GLN A 80 -10.400 -0.010 -1.225 1.00 0.21 H new ATOM 0 HB2 GLN A 80 -10.561 1.218 1.545 1.00 0.28 H new ATOM 0 HB3 GLN A 80 -9.474 1.812 0.305 1.00 0.28 H new ATOM 0 HG2 GLN A 80 -11.458 2.312 -1.150 1.00 0.29 H new ATOM 0 HG3 GLN A 80 -12.513 1.792 0.150 1.00 0.29 H new ATOM 0 HE21 GLN A 80 -12.839 4.382 -0.747 1.00 0.64 H new ATOM 0 HE22 GLN A 80 -12.192 5.526 0.434 1.00 0.64 H new ATOM 865 N HIS A 81 -8.912 -1.120 1.582 1.00 0.21 N ATOM 866 CA HIS A 81 -7.715 -1.784 2.107 1.00 0.21 C ATOM 867 C HIS A 81 -7.375 -3.053 1.309 1.00 0.19 C ATOM 868 O HIS A 81 -6.240 -3.202 0.860 1.00 0.22 O ATOM 869 CB HIS A 81 -7.914 -2.144 3.587 1.00 0.28 C ATOM 870 CG HIS A 81 -8.063 -0.999 4.556 1.00 0.40 C ATOM 871 ND1 HIS A 81 -8.712 -1.081 5.766 1.00 0.59 N ATOM 872 CD2 HIS A 81 -7.506 0.252 4.479 1.00 0.48 C ATOM 873 CE1 HIS A 81 -8.571 0.093 6.401 1.00 0.69 C ATOM 874 NE2 HIS A 81 -7.834 0.938 5.657 1.00 0.64 N ATOM 0 H HIS A 81 -9.643 -0.979 2.279 1.00 0.21 H new ATOM 0 HA HIS A 81 -6.883 -1.087 2.008 1.00 0.21 H new ATOM 0 HB2 HIS A 81 -8.801 -2.772 3.666 1.00 0.28 H new ATOM 0 HB3 HIS A 81 -7.065 -2.749 3.906 1.00 0.28 H new ATOM 0 HD2 HIS A 81 -6.920 0.639 3.658 1.00 0.48 H new ATOM 0 HE1 HIS A 81 -8.989 0.326 7.369 1.00 0.69 H new ATOM 0 HE2 HIS A 81 -7.566 1.891 5.902 1.00 0.64 H new ATOM 882 N GLN A 82 -8.355 -3.934 1.090 1.00 0.20 N ATOM 883 CA GLN A 82 -8.239 -5.219 0.392 1.00 0.23 C ATOM 884 C GLN A 82 -7.468 -5.113 -0.935 1.00 0.20 C ATOM 885 O GLN A 82 -6.557 -5.902 -1.175 1.00 0.23 O ATOM 886 CB GLN A 82 -9.669 -5.748 0.202 1.00 0.32 C ATOM 887 CG GLN A 82 -9.803 -6.995 -0.669 1.00 0.38 C ATOM 888 CD GLN A 82 -9.268 -8.294 -0.075 1.00 0.85 C ATOM 889 OE1 GLN A 82 -9.193 -8.502 1.137 1.00 1.37 O ATOM 890 NE2 GLN A 82 -8.931 -9.224 -0.935 1.00 0.90 N ATOM 0 H GLN A 82 -9.306 -3.760 1.414 1.00 0.20 H new ATOM 0 HA GLN A 82 -7.648 -5.917 0.985 1.00 0.23 H new ATOM 0 HB2 GLN A 82 -10.090 -5.966 1.184 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -10.275 -4.955 -0.235 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -10.858 -7.136 -0.905 1.00 0.38 H new ATOM 0 HG3 GLN A 82 -9.287 -6.811 -1.611 1.00 0.38 H new ATOM 0 HE21 GLN A 82 -8.997 -9.041 -1.936 1.00 0.90 H new ATOM 0 HE22 GLN A 82 -8.603 -10.131 -0.603 1.00 0.90 H new ATOM 899 N MET A 83 -7.754 -4.105 -1.761 1.00 0.19 N ATOM 900 CA MET A 83 -7.094 -3.892 -3.058 1.00 0.19 C ATOM 901 C MET A 83 -5.588 -3.636 -2.907 1.00 0.19 C ATOM 902 O MET A 83 -4.769 -4.182 -3.646 1.00 0.25 O ATOM 903 CB MET A 83 -7.755 -2.690 -3.755 1.00 0.18 C ATOM 904 CG MET A 83 -9.268 -2.874 -3.902 1.00 0.19 C ATOM 905 SD MET A 83 -10.276 -1.422 -4.314 1.00 1.13 S ATOM 906 CE MET A 83 -9.702 -1.074 -5.989 1.00 0.38 C ATOM 0 H MET A 83 -8.461 -3.401 -1.548 1.00 0.19 H new ATOM 0 HA MET A 83 -7.210 -4.798 -3.653 1.00 0.19 H new ATOM 0 HB2 MET A 83 -7.554 -1.784 -3.184 1.00 0.18 H new ATOM 0 HB3 MET A 83 -7.309 -2.552 -4.740 1.00 0.18 H new ATOM 0 HG2 MET A 83 -9.438 -3.626 -4.672 1.00 0.19 H new ATOM 0 HG3 MET A 83 -9.645 -3.286 -2.966 1.00 0.19 H new ATOM 0 HE1 MET A 83 -10.416 -0.420 -6.490 1.00 0.38 H new ATOM 0 HE2 MET A 83 -8.729 -0.585 -5.946 1.00 0.38 H new ATOM 0 HE3 MET A 83 -9.614 -2.008 -6.545 1.00 0.38 H new ATOM 916 N VAL A 84 -5.242 -2.808 -1.921 1.00 0.17 N ATOM 917 CA VAL A 84 -3.866 -2.417 -1.538 1.00 0.17 C ATOM 918 C VAL A 84 -3.126 -3.548 -0.807 1.00 0.18 C ATOM 919 O VAL A 84 -1.907 -3.644 -0.884 1.00 0.24 O ATOM 920 CB VAL A 84 -3.882 -1.173 -0.618 1.00 0.16 C ATOM 921 CG1 VAL A 84 -2.503 -0.521 -0.467 1.00 0.20 C ATOM 922 CG2 VAL A 84 -4.830 -0.083 -1.103 1.00 0.23 C ATOM 0 H VAL A 84 -5.945 -2.363 -1.330 1.00 0.17 H new ATOM 0 HA VAL A 84 -3.342 -2.193 -2.467 1.00 0.17 H new ATOM 0 HB VAL A 84 -4.220 -1.569 0.340 1.00 0.16 H new ATOM 0 HG11 VAL A 84 -2.580 0.346 0.190 1.00 0.20 H new ATOM 0 HG12 VAL A 84 -1.805 -1.240 -0.038 1.00 0.20 H new ATOM 0 HG13 VAL A 84 -2.141 -0.204 -1.445 1.00 0.20 H new ATOM 0 HG21 VAL A 84 -4.795 0.762 -0.415 1.00 0.23 H new ATOM 0 HG22 VAL A 84 -4.528 0.246 -2.097 1.00 0.23 H new ATOM 0 HG23 VAL A 84 -5.846 -0.476 -1.144 1.00 0.23 H new ATOM 932 N ASN A 85 -3.863 -4.431 -0.130 1.00 0.19 N ATOM 933 CA ASN A 85 -3.360 -5.615 0.571 1.00 0.20 C ATOM 934 C ASN A 85 -2.932 -6.657 -0.467 1.00 0.21 C ATOM 935 O ASN A 85 -1.806 -7.147 -0.456 1.00 0.24 O ATOM 936 CB ASN A 85 -4.477 -6.174 1.482 1.00 0.23 C ATOM 937 CG ASN A 85 -4.542 -5.581 2.868 1.00 0.33 C ATOM 938 OD1 ASN A 85 -4.359 -6.260 3.866 1.00 0.56 O ATOM 939 ND2 ASN A 85 -4.846 -4.318 2.970 1.00 0.26 N ATOM 0 H ASN A 85 -4.876 -4.336 -0.052 1.00 0.19 H new ATOM 0 HA ASN A 85 -2.500 -5.360 1.191 1.00 0.20 H new ATOM 0 HB2 ASN A 85 -5.437 -6.013 0.991 1.00 0.23 H new ATOM 0 HB3 ASN A 85 -4.343 -7.252 1.573 1.00 0.23 H new ATOM 0 HD21 ASN A 85 -4.933 -3.887 3.890 1.00 0.26 H new ATOM 0 HD22 ASN A 85 -4.997 -3.760 2.129 1.00 0.26 H new ATOM 946 N GLN A 86 -3.814 -6.937 -1.424 1.00 0.21 N ATOM 947 CA GLN A 86 -3.586 -7.884 -2.510 1.00 0.24 C ATOM 948 C GLN A 86 -2.478 -7.431 -3.472 1.00 0.24 C ATOM 949 O GLN A 86 -1.832 -8.276 -4.093 1.00 0.34 O ATOM 950 CB GLN A 86 -4.922 -8.016 -3.263 1.00 0.33 C ATOM 951 CG GLN A 86 -5.742 -9.252 -2.867 1.00 1.01 C ATOM 952 CD GLN A 86 -5.008 -10.564 -3.133 1.00 1.17 C ATOM 953 OE1 GLN A 86 -4.409 -10.786 -4.182 1.00 2.11 O ATOM 954 NE2 GLN A 86 -5.005 -11.462 -2.176 1.00 2.38 N ATOM 0 H GLN A 86 -4.734 -6.498 -1.465 1.00 0.21 H new ATOM 0 HA GLN A 86 -3.250 -8.836 -2.098 1.00 0.24 H new ATOM 0 HB2 GLN A 86 -5.520 -7.123 -3.081 1.00 0.33 H new ATOM 0 HB3 GLN A 86 -4.722 -8.053 -4.334 1.00 0.33 H new ATOM 0 HG2 GLN A 86 -5.993 -9.191 -1.808 1.00 1.01 H new ATOM 0 HG3 GLN A 86 -6.682 -9.250 -3.418 1.00 1.01 H new ATOM 0 HE21 GLN A 86 -5.502 -11.280 -1.304 1.00 2.38 H new ATOM 0 HE22 GLN A 86 -4.506 -12.342 -2.304 1.00 2.38 H new ATOM 963 N ALA A 87 -2.207 -6.123 -3.557 1.00 0.22 N ATOM 964 CA ALA A 87 -1.245 -5.543 -4.476 1.00 0.24 C ATOM 965 C ALA A 87 0.150 -6.141 -4.318 1.00 0.27 C ATOM 966 O ALA A 87 0.808 -6.359 -5.331 1.00 0.45 O ATOM 967 CB ALA A 87 -1.227 -4.024 -4.267 1.00 0.26 C ATOM 0 H ALA A 87 -2.668 -5.428 -2.969 1.00 0.22 H new ATOM 0 HA ALA A 87 -1.552 -5.776 -5.496 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -0.509 -3.571 -4.950 1.00 0.26 H new ATOM 0 HB2 ALA A 87 -2.219 -3.618 -4.463 1.00 0.26 H new ATOM 0 HB3 ALA A 87 -0.940 -3.802 -3.239 1.00 0.26 H new ATOM 973 N LEU A 88 0.549 -6.441 -3.078 1.00 0.22 N ATOM 974 CA LEU A 88 1.862 -7.003 -2.736 1.00 0.30 C ATOM 975 C LEU A 88 1.826 -8.273 -1.877 1.00 0.30 C ATOM 976 O LEU A 88 2.881 -8.775 -1.495 1.00 0.33 O ATOM 977 CB LEU A 88 2.756 -5.898 -2.150 1.00 0.37 C ATOM 978 CG LEU A 88 2.511 -5.382 -0.713 1.00 0.39 C ATOM 979 CD1 LEU A 88 1.071 -4.981 -0.411 1.00 0.48 C ATOM 980 CD2 LEU A 88 3.015 -6.342 0.362 1.00 0.34 C ATOM 0 H LEU A 88 -0.047 -6.296 -2.263 1.00 0.22 H new ATOM 0 HA LEU A 88 2.303 -7.362 -3.666 1.00 0.30 H new ATOM 0 HB2 LEU A 88 3.784 -6.257 -2.194 1.00 0.37 H new ATOM 0 HB3 LEU A 88 2.689 -5.039 -2.818 1.00 0.37 H new ATOM 0 HG LEU A 88 3.106 -4.469 -0.678 1.00 0.39 H new ATOM 0 HD11 LEU A 88 0.999 -4.633 0.619 1.00 0.48 H new ATOM 0 HD12 LEU A 88 0.767 -4.181 -1.086 1.00 0.48 H new ATOM 0 HD13 LEU A 88 0.417 -5.842 -0.550 1.00 0.48 H new ATOM 0 HD21 LEU A 88 2.814 -5.923 1.348 1.00 0.34 H new ATOM 0 HD22 LEU A 88 2.503 -7.299 0.264 1.00 0.34 H new ATOM 0 HD23 LEU A 88 4.088 -6.490 0.243 1.00 0.34 H new ATOM 992 N LYS A 89 0.642 -8.819 -1.588 1.00 0.29 N ATOM 993 CA LYS A 89 0.450 -10.017 -0.757 1.00 0.31 C ATOM 994 C LYS A 89 1.319 -11.192 -1.184 1.00 0.38 C ATOM 995 O LYS A 89 1.771 -11.982 -0.356 1.00 0.45 O ATOM 996 CB LYS A 89 -1.037 -10.389 -0.780 1.00 0.34 C ATOM 997 CG LYS A 89 -1.269 -11.729 -0.076 1.00 0.46 C ATOM 998 CD LYS A 89 -2.617 -11.846 0.633 1.00 0.78 C ATOM 999 CE LYS A 89 -2.796 -10.828 1.762 1.00 2.55 C ATOM 1000 NZ LYS A 89 -4.104 -11.019 2.428 1.00 2.99 N ATOM 0 H LYS A 89 -0.236 -8.431 -1.934 1.00 0.29 H new ATOM 0 HA LYS A 89 0.767 -9.781 0.259 1.00 0.31 H new ATOM 0 HB2 LYS A 89 -1.620 -9.609 -0.290 1.00 0.34 H new ATOM 0 HB3 LYS A 89 -1.387 -10.448 -1.811 1.00 0.34 H new ATOM 0 HG2 LYS A 89 -1.188 -12.530 -0.811 1.00 0.46 H new ATOM 0 HG3 LYS A 89 -0.474 -11.884 0.654 1.00 0.46 H new ATOM 0 HD2 LYS A 89 -3.416 -11.714 -0.096 1.00 0.78 H new ATOM 0 HD3 LYS A 89 -2.720 -12.852 1.040 1.00 0.78 H new ATOM 0 HE2 LYS A 89 -1.991 -10.937 2.489 1.00 2.55 H new ATOM 0 HE3 LYS A 89 -2.729 -9.816 1.362 1.00 2.55 H new ATOM 0 HZ1 LYS A 89 -4.210 -10.321 3.191 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 -4.869 -10.892 1.734 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 -4.154 -11.978 2.827 1.00 2.99 H new ATOM 1014 N GLU A 90 1.554 -11.337 -2.476 1.00 0.45 N ATOM 1015 CA GLU A 90 2.313 -12.447 -2.987 1.00 0.64 C ATOM 1016 C GLU A 90 3.824 -12.292 -2.695 1.00 0.77 C ATOM 1017 O GLU A 90 4.536 -13.273 -2.461 1.00 1.31 O ATOM 1018 CB GLU A 90 1.996 -12.506 -4.473 1.00 0.83 C ATOM 1019 CG GLU A 90 0.542 -12.916 -4.770 1.00 0.97 C ATOM 1020 CD GLU A 90 0.168 -12.641 -6.227 1.00 1.35 C ATOM 1021 OE1 GLU A 90 0.240 -11.465 -6.661 1.00 2.58 O ATOM 1022 OE2 GLU A 90 -0.221 -13.587 -6.951 1.00 1.75 O ATOM 0 H GLU A 90 1.223 -10.689 -3.191 1.00 0.45 H new ATOM 0 HA GLU A 90 2.042 -13.384 -2.500 1.00 0.64 H new ATOM 0 HB2 GLU A 90 2.189 -11.530 -4.918 1.00 0.83 H new ATOM 0 HB3 GLU A 90 2.671 -13.214 -4.954 1.00 0.83 H new ATOM 0 HG2 GLU A 90 0.410 -13.976 -4.554 1.00 0.97 H new ATOM 0 HG3 GLU A 90 -0.133 -12.370 -4.111 1.00 0.97 H new ATOM 1029 N GLU A 91 4.292 -11.043 -2.626 1.00 0.53 N ATOM 1030 CA GLU A 91 5.645 -10.606 -2.271 1.00 0.58 C ATOM 1031 C GLU A 91 5.891 -10.669 -0.756 1.00 0.58 C ATOM 1032 O GLU A 91 6.787 -11.394 -0.319 1.00 0.68 O ATOM 1033 CB GLU A 91 5.836 -9.167 -2.791 1.00 0.63 C ATOM 1034 CG GLU A 91 6.463 -9.032 -4.174 1.00 0.51 C ATOM 1035 CD GLU A 91 5.963 -10.049 -5.209 1.00 1.48 C ATOM 1036 OE1 GLU A 91 6.694 -11.034 -5.471 1.00 1.94 O ATOM 1037 OE2 GLU A 91 4.869 -9.885 -5.802 1.00 2.71 O ATOM 0 H GLU A 91 3.687 -10.248 -2.833 1.00 0.53 H new ATOM 0 HA GLU A 91 6.369 -11.279 -2.732 1.00 0.58 H new ATOM 0 HB2 GLU A 91 4.863 -8.675 -2.806 1.00 0.63 H new ATOM 0 HB3 GLU A 91 6.457 -8.624 -2.078 1.00 0.63 H new ATOM 0 HG2 GLU A 91 6.269 -8.027 -4.549 1.00 0.51 H new ATOM 0 HG3 GLU A 91 7.544 -9.133 -4.079 1.00 0.51 H new ATOM 1044 N ILE A 92 5.092 -9.962 0.052 1.00 0.56 N ATOM 1045 CA ILE A 92 5.162 -9.934 1.525 1.00 0.61 C ATOM 1046 C ILE A 92 3.731 -10.012 2.065 1.00 0.57 C ATOM 1047 O ILE A 92 2.894 -9.183 1.723 1.00 0.62 O ATOM 1048 CB ILE A 92 5.892 -8.671 2.045 1.00 0.64 C ATOM 1049 CG1 ILE A 92 7.313 -8.585 1.439 1.00 0.85 C ATOM 1050 CG2 ILE A 92 5.936 -8.679 3.589 1.00 0.70 C ATOM 1051 CD1 ILE A 92 8.181 -7.442 1.975 1.00 1.07 C ATOM 0 H ILE A 92 4.347 -9.368 -0.314 1.00 0.56 H new ATOM 0 HA ILE A 92 5.744 -10.785 1.879 1.00 0.61 H new ATOM 0 HB ILE A 92 5.341 -7.785 1.730 1.00 0.64 H new ATOM 0 HG12 ILE A 92 7.827 -9.528 1.624 1.00 0.85 H new ATOM 0 HG13 ILE A 92 7.224 -8.477 0.358 1.00 0.85 H new ATOM 0 HG21 ILE A 92 6.452 -7.786 3.943 1.00 0.70 H new ATOM 0 HG22 ILE A 92 4.919 -8.691 3.982 1.00 0.70 H new ATOM 0 HG23 ILE A 92 6.468 -9.566 3.933 1.00 0.70 H new ATOM 0 HD11 ILE A 92 9.156 -7.467 1.489 1.00 1.07 H new ATOM 0 HD12 ILE A 92 7.696 -6.488 1.766 1.00 1.07 H new ATOM 0 HD13 ILE A 92 8.309 -7.556 3.051 1.00 1.07 H new ATOM 1063 N LYS A 93 3.421 -10.991 2.917 1.00 0.67 N ATOM 1064 CA LYS A 93 2.013 -11.303 3.243 1.00 0.57 C ATOM 1065 C LYS A 93 1.445 -10.549 4.452 1.00 0.64 C ATOM 1066 O LYS A 93 0.251 -10.623 4.729 1.00 0.62 O ATOM 1067 CB LYS A 93 1.873 -12.810 3.471 1.00 0.79 C ATOM 1068 CG LYS A 93 2.217 -13.703 2.270 1.00 1.42 C ATOM 1069 CD LYS A 93 2.455 -15.163 2.685 1.00 1.45 C ATOM 1070 CE LYS A 93 2.736 -15.999 1.431 1.00 2.43 C ATOM 1071 NZ LYS A 93 3.127 -17.390 1.746 1.00 2.88 N ATOM 0 H LYS A 93 4.108 -11.578 3.391 1.00 0.67 H new ATOM 0 HA LYS A 93 1.427 -10.966 2.387 1.00 0.57 H new ATOM 0 HB2 LYS A 93 2.514 -13.093 4.306 1.00 0.79 H new ATOM 0 HB3 LYS A 93 0.847 -13.019 3.773 1.00 0.79 H new ATOM 0 HG2 LYS A 93 1.406 -13.661 1.543 1.00 1.42 H new ATOM 0 HG3 LYS A 93 3.108 -13.317 1.775 1.00 1.42 H new ATOM 0 HD2 LYS A 93 3.296 -15.226 3.376 1.00 1.45 H new ATOM 0 HD3 LYS A 93 1.582 -15.552 3.209 1.00 1.45 H new ATOM 0 HE2 LYS A 93 1.847 -16.010 0.800 1.00 2.43 H new ATOM 0 HE3 LYS A 93 3.530 -15.525 0.854 1.00 2.43 H new ATOM 0 HZ1 LYS A 93 3.305 -17.909 0.863 1.00 2.88 H new ATOM 0 HZ2 LYS A 93 3.991 -17.385 2.325 1.00 2.88 H new ATOM 0 HZ3 LYS A 93 2.360 -17.855 2.273 1.00 2.88 H new ATOM 1085 N GLU A 94 2.302 -9.896 5.228 1.00 0.86 N ATOM 1086 CA GLU A 94 2.096 -9.536 6.613 1.00 0.95 C ATOM 1087 C GLU A 94 1.346 -8.203 6.803 1.00 0.95 C ATOM 1088 O GLU A 94 1.904 -7.227 7.303 1.00 1.13 O ATOM 1089 CB GLU A 94 3.505 -9.534 7.203 1.00 1.15 C ATOM 1090 CG GLU A 94 4.241 -10.885 7.218 1.00 1.38 C ATOM 1091 CD GLU A 94 3.732 -11.862 8.287 1.00 2.40 C ATOM 1092 OE1 GLU A 94 2.711 -12.556 8.054 1.00 3.53 O ATOM 1093 OE2 GLU A 94 4.370 -11.964 9.363 1.00 3.23 O ATOM 0 H GLU A 94 3.210 -9.589 4.880 1.00 0.86 H new ATOM 0 HA GLU A 94 1.438 -10.239 7.124 1.00 0.95 H new ATOM 0 HB2 GLU A 94 4.110 -8.822 6.642 1.00 1.15 H new ATOM 0 HB3 GLU A 94 3.446 -9.165 8.227 1.00 1.15 H new ATOM 0 HG2 GLU A 94 4.143 -11.352 6.238 1.00 1.38 H new ATOM 0 HG3 GLU A 94 5.304 -10.706 7.381 1.00 1.38 H new ATOM 1100 N MET A 95 0.063 -8.125 6.429 1.00 0.88 N ATOM 1101 CA MET A 95 -0.745 -6.909 6.639 1.00 0.94 C ATOM 1102 C MET A 95 -1.191 -6.648 8.082 1.00 0.88 C ATOM 1103 O MET A 95 -1.633 -5.539 8.378 1.00 0.88 O ATOM 1104 CB MET A 95 -1.865 -6.758 5.608 1.00 1.00 C ATOM 1105 CG MET A 95 -1.253 -6.549 4.222 1.00 1.01 C ATOM 1106 SD MET A 95 -1.218 -8.014 3.165 1.00 1.25 S ATOM 1107 CE MET A 95 0.059 -7.422 2.039 1.00 1.84 C ATOM 0 H MET A 95 -0.442 -8.888 5.979 1.00 0.88 H new ATOM 0 HA MET A 95 -0.046 -6.093 6.455 1.00 0.94 H new ATOM 0 HB2 MET A 95 -2.497 -7.646 5.609 1.00 1.00 H new ATOM 0 HB3 MET A 95 -2.502 -5.913 5.868 1.00 1.00 H new ATOM 0 HG2 MET A 95 -1.812 -5.765 3.710 1.00 1.01 H new ATOM 0 HG3 MET A 95 -0.233 -6.185 4.344 1.00 1.01 H new ATOM 0 HE1 MET A 95 -0.034 -7.934 1.081 1.00 1.84 H new ATOM 0 HE2 MET A 95 -0.057 -6.349 1.889 1.00 1.84 H new ATOM 0 HE3 MET A 95 1.042 -7.625 2.465 1.00 1.84 H new ATOM 1117 N HIS A 96 -0.898 -7.556 9.015 1.00 0.85 N ATOM 1118 CA HIS A 96 -0.742 -7.221 10.437 1.00 0.67 C ATOM 1119 C HIS A 96 0.315 -6.122 10.680 1.00 0.49 C ATOM 1120 O HIS A 96 0.262 -5.393 11.675 1.00 0.56 O ATOM 1121 CB HIS A 96 -0.378 -8.519 11.171 1.00 0.69 C ATOM 1122 CG HIS A 96 0.033 -8.336 12.609 1.00 1.86 C ATOM 1123 ND1 HIS A 96 -0.802 -8.279 13.702 1.00 3.37 N ATOM 1124 CD2 HIS A 96 1.316 -8.222 13.075 1.00 2.25 C ATOM 1125 CE1 HIS A 96 -0.049 -8.138 14.802 1.00 4.34 C ATOM 1126 NE2 HIS A 96 1.254 -8.108 14.471 1.00 3.69 N ATOM 0 H HIS A 96 -0.762 -8.546 8.809 1.00 0.85 H new ATOM 0 HA HIS A 96 -1.676 -6.807 10.817 1.00 0.67 H new ATOM 0 HB2 HIS A 96 -1.234 -9.193 11.135 1.00 0.69 H new ATOM 0 HB3 HIS A 96 0.435 -9.008 10.634 1.00 0.69 H new ATOM 0 HD2 HIS A 96 2.214 -8.220 12.475 1.00 2.25 H new ATOM 0 HE1 HIS A 96 -0.433 -8.060 15.808 1.00 4.34 H new ATOM 0 HE2 HIS A 96 2.043 -8.020 15.111 1.00 3.69 H new ATOM 1134 N GLY A 97 1.259 -5.991 9.748 1.00 0.54 N ATOM 1135 CA GLY A 97 2.337 -5.009 9.710 1.00 0.54 C ATOM 1136 C GLY A 97 2.013 -3.681 9.033 1.00 0.44 C ATOM 1137 O GLY A 97 2.637 -2.658 9.314 1.00 0.44 O ATOM 0 H GLY A 97 1.290 -6.615 8.942 1.00 0.54 H new ATOM 0 HA2 GLY A 97 2.651 -4.804 10.734 1.00 0.54 H new ATOM 0 HA3 GLY A 97 3.190 -5.456 9.199 1.00 0.54 H new ATOM 1141 N LEU A 98 1.073 -3.694 8.096 1.00 0.48 N ATOM 1142 CA LEU A 98 0.846 -2.589 7.159 1.00 0.48 C ATOM 1143 C LEU A 98 -0.169 -1.585 7.707 1.00 0.46 C ATOM 1144 O LEU A 98 -1.232 -1.955 8.211 1.00 0.62 O ATOM 1145 CB LEU A 98 0.458 -3.135 5.775 1.00 0.64 C ATOM 1146 CG LEU A 98 1.537 -4.056 5.176 1.00 0.87 C ATOM 1147 CD1 LEU A 98 1.440 -4.148 3.667 1.00 2.33 C ATOM 1148 CD2 LEU A 98 2.936 -3.517 5.359 1.00 1.31 C ATOM 0 H LEU A 98 0.437 -4.479 7.960 1.00 0.48 H new ATOM 0 HA LEU A 98 1.778 -2.036 7.040 1.00 0.48 H new ATOM 0 HB2 LEU A 98 -0.480 -3.685 5.856 1.00 0.64 H new ATOM 0 HB3 LEU A 98 0.281 -2.301 5.096 1.00 0.64 H new ATOM 0 HG LEU A 98 1.366 -5.002 5.690 1.00 0.87 H new ATOM 0 HD11 LEU A 98 2.222 -4.809 3.292 1.00 2.33 H new ATOM 0 HD12 LEU A 98 0.464 -4.546 3.389 1.00 2.33 H new ATOM 0 HD13 LEU A 98 1.564 -3.156 3.233 1.00 2.33 H new ATOM 0 HD21 LEU A 98 3.653 -4.209 4.917 1.00 1.31 H new ATOM 0 HD22 LEU A 98 3.019 -2.546 4.870 1.00 1.31 H new ATOM 0 HD23 LEU A 98 3.147 -3.406 6.423 1.00 1.31 H new ATOM 1160 N ARG A 99 0.162 -0.303 7.584 1.00 0.42 N ATOM 1161 CA ARG A 99 -0.607 0.837 8.100 1.00 0.39 C ATOM 1162 C ARG A 99 -1.061 1.688 6.921 1.00 0.45 C ATOM 1163 O ARG A 99 -0.282 2.491 6.411 1.00 0.51 O ATOM 1164 CB ARG A 99 0.251 1.576 9.133 1.00 0.34 C ATOM 1165 CG ARG A 99 -0.586 2.489 10.035 1.00 0.53 C ATOM 1166 CD ARG A 99 0.370 3.409 10.792 1.00 0.73 C ATOM 1167 NE ARG A 99 -0.333 4.255 11.771 1.00 1.58 N ATOM 1168 CZ ARG A 99 -0.145 5.543 11.994 1.00 2.36 C ATOM 1169 NH1 ARG A 99 0.685 6.294 11.334 1.00 2.73 N ATOM 1170 NH2 ARG A 99 -0.824 6.158 12.908 1.00 3.30 N ATOM 0 H ARG A 99 1.012 -0.012 7.101 1.00 0.42 H new ATOM 0 HA ARG A 99 -1.514 0.531 8.621 1.00 0.39 H new ATOM 0 HB2 ARG A 99 0.783 0.849 9.748 1.00 0.34 H new ATOM 0 HB3 ARG A 99 1.006 2.170 8.618 1.00 0.34 H new ATOM 0 HG2 ARG A 99 -1.287 3.074 9.440 1.00 0.53 H new ATOM 0 HG3 ARG A 99 -1.178 1.897 10.733 1.00 0.53 H new ATOM 0 HD2 ARG A 99 1.120 2.808 11.306 1.00 0.73 H new ATOM 0 HD3 ARG A 99 0.901 4.042 10.082 1.00 0.73 H new ATOM 0 HE ARG A 99 -1.044 3.795 12.340 1.00 1.58 H new ATOM 0 HH11 ARG A 99 1.248 5.894 10.583 1.00 2.73 H new ATOM 0 HH12 ARG A 99 0.773 7.283 11.567 1.00 2.73 H new ATOM 0 HH21 ARG A 99 -1.511 5.648 13.463 1.00 3.30 H new ATOM 0 HH22 ARG A 99 -0.672 7.153 13.073 1.00 3.30 H new ATOM 1184 N ILE A 100 -2.266 1.415 6.418 1.00 0.41 N ATOM 1185 CA ILE A 100 -2.683 1.807 5.063 1.00 0.32 C ATOM 1186 C ILE A 100 -3.803 2.835 5.055 1.00 0.33 C ATOM 1187 O ILE A 100 -4.800 2.748 5.771 1.00 0.46 O ATOM 1188 CB ILE A 100 -3.045 0.588 4.165 1.00 0.28 C ATOM 1189 CG1 ILE A 100 -2.399 -0.765 4.542 1.00 0.38 C ATOM 1190 CG2 ILE A 100 -2.711 0.888 2.696 1.00 0.47 C ATOM 1191 CD1 ILE A 100 -2.775 -1.922 3.591 1.00 0.46 C ATOM 0 H ILE A 100 -2.986 0.914 6.938 1.00 0.41 H new ATOM 0 HA ILE A 100 -1.805 2.285 4.629 1.00 0.32 H new ATOM 0 HB ILE A 100 -4.115 0.461 4.332 1.00 0.28 H new ATOM 0 HG12 ILE A 100 -1.315 -0.650 4.548 1.00 0.38 H new ATOM 0 HG13 ILE A 100 -2.698 -1.029 5.556 1.00 0.38 H new ATOM 0 HG21 ILE A 100 -2.970 0.026 2.081 1.00 0.47 H new ATOM 0 HG22 ILE A 100 -3.281 1.756 2.363 1.00 0.47 H new ATOM 0 HG23 ILE A 100 -1.645 1.095 2.600 1.00 0.47 H new ATOM 0 HD11 ILE A 100 -2.284 -2.838 3.920 1.00 0.46 H new ATOM 0 HD12 ILE A 100 -3.855 -2.066 3.602 1.00 0.46 H new ATOM 0 HD13 ILE A 100 -2.451 -1.681 2.579 1.00 0.46 H new ATOM 1203 N PHE A 101 -3.594 3.819 4.191 1.00 0.33 N ATOM 1204 CA PHE A 101 -4.292 5.082 4.168 1.00 0.33 C ATOM 1205 C PHE A 101 -4.772 5.387 2.746 1.00 0.45 C ATOM 1206 O PHE A 101 -4.043 5.953 1.932 1.00 1.13 O ATOM 1207 CB PHE A 101 -3.277 6.107 4.658 1.00 0.33 C ATOM 1208 CG PHE A 101 -2.896 6.011 6.114 1.00 0.34 C ATOM 1209 CD1 PHE A 101 -3.750 6.519 7.109 1.00 1.96 C ATOM 1210 CD2 PHE A 101 -1.670 5.431 6.467 1.00 1.68 C ATOM 1211 CE1 PHE A 101 -3.374 6.437 8.461 1.00 2.00 C ATOM 1212 CE2 PHE A 101 -1.296 5.343 7.817 1.00 1.71 C ATOM 1213 CZ PHE A 101 -2.149 5.847 8.816 1.00 0.58 C ATOM 0 H PHE A 101 -2.895 3.747 3.452 1.00 0.33 H new ATOM 0 HA PHE A 101 -5.182 5.085 4.797 1.00 0.33 H new ATOM 0 HB2 PHE A 101 -2.372 6.009 4.058 1.00 0.33 H new ATOM 0 HB3 PHE A 101 -3.677 7.104 4.472 1.00 0.33 H new ATOM 0 HD1 PHE A 101 -4.692 6.971 6.835 1.00 1.96 H new ATOM 0 HD2 PHE A 101 -1.012 5.051 5.699 1.00 1.68 H new ATOM 0 HE1 PHE A 101 -4.027 6.828 9.227 1.00 2.00 H new ATOM 0 HE2 PHE A 101 -0.354 4.889 8.089 1.00 1.71 H new ATOM 0 HZ PHE A 101 -1.862 5.780 9.855 1.00 0.58 H new ATOM 1223 N THR A 102 -5.993 4.962 2.436 1.00 0.27 N ATOM 1224 CA THR A 102 -6.679 5.167 1.152 1.00 0.20 C ATOM 1225 C THR A 102 -7.666 6.319 1.215 1.00 0.18 C ATOM 1226 O THR A 102 -8.250 6.635 2.260 1.00 0.23 O ATOM 1227 CB THR A 102 -7.445 3.899 0.744 1.00 0.22 C ATOM 1228 OG1 THR A 102 -8.117 3.349 1.858 1.00 0.28 O ATOM 1229 CG2 THR A 102 -6.500 2.823 0.222 1.00 0.31 C ATOM 0 H THR A 102 -6.563 4.440 3.101 1.00 0.27 H new ATOM 0 HA THR A 102 -5.908 5.400 0.418 1.00 0.20 H new ATOM 0 HB THR A 102 -8.148 4.194 -0.035 1.00 0.22 H new ATOM 0 HG1 THR A 102 -9.051 3.645 1.855 1.00 0.28 H new ATOM 0 HG21 THR A 102 -7.074 1.939 -0.058 1.00 0.31 H new ATOM 0 HG22 THR A 102 -5.966 3.200 -0.650 1.00 0.31 H new ATOM 0 HG23 THR A 102 -5.784 2.559 1.000 1.00 0.31 H new ATOM 1237 N SER A 103 -7.868 6.915 0.049 1.00 0.21 N ATOM 1238 CA SER A 103 -8.839 7.972 -0.210 1.00 0.22 C ATOM 1239 C SER A 103 -9.211 8.011 -1.698 1.00 0.20 C ATOM 1240 O SER A 103 -8.712 7.215 -2.494 1.00 0.22 O ATOM 1241 CB SER A 103 -8.286 9.323 0.273 1.00 0.29 C ATOM 1242 OG SER A 103 -6.907 9.508 0.008 1.00 0.64 O ATOM 0 H SER A 103 -7.334 6.664 -0.783 1.00 0.21 H new ATOM 0 HA SER A 103 -9.752 7.763 0.348 1.00 0.22 H new ATOM 0 HB2 SER A 103 -8.848 10.126 -0.204 1.00 0.29 H new ATOM 0 HB3 SER A 103 -8.454 9.410 1.346 1.00 0.29 H new ATOM 0 HG SER A 103 -6.768 10.387 -0.403 1.00 0.64 H new ATOM 1248 N VAL A 104 -10.084 8.937 -2.094 1.00 0.27 N ATOM 1249 CA VAL A 104 -10.542 9.075 -3.490 1.00 0.24 C ATOM 1250 C VAL A 104 -10.747 10.545 -3.907 1.00 0.34 C ATOM 1251 O VAL A 104 -11.380 11.304 -3.169 1.00 0.46 O ATOM 1252 CB VAL A 104 -11.786 8.189 -3.707 1.00 0.25 C ATOM 1253 CG1 VAL A 104 -12.905 8.396 -2.695 1.00 0.36 C ATOM 1254 CG2 VAL A 104 -12.379 8.322 -5.101 1.00 0.29 C ATOM 0 H VAL A 104 -10.499 9.618 -1.459 1.00 0.27 H new ATOM 0 HA VAL A 104 -9.757 8.719 -4.157 1.00 0.24 H new ATOM 0 HB VAL A 104 -11.385 7.185 -3.567 1.00 0.25 H new ATOM 0 HG11 VAL A 104 -13.735 7.730 -2.929 1.00 0.36 H new ATOM 0 HG12 VAL A 104 -12.535 8.176 -1.694 1.00 0.36 H new ATOM 0 HG13 VAL A 104 -13.246 9.430 -2.737 1.00 0.36 H new ATOM 0 HG21 VAL A 104 -13.251 7.674 -5.189 1.00 0.29 H new ATOM 0 HG22 VAL A 104 -12.677 9.356 -5.272 1.00 0.29 H new ATOM 0 HG23 VAL A 104 -11.635 8.032 -5.842 1.00 0.29 H new ATOM 1264 N PRO A 105 -10.224 10.978 -5.075 1.00 0.39 N ATOM 1265 CA PRO A 105 -10.287 12.358 -5.543 1.00 0.59 C ATOM 1266 C PRO A 105 -11.660 12.718 -6.099 1.00 0.68 C ATOM 1267 O PRO A 105 -12.229 12.045 -6.969 1.00 0.60 O ATOM 1268 CB PRO A 105 -9.158 12.503 -6.569 1.00 0.69 C ATOM 1269 CG PRO A 105 -9.091 11.104 -7.179 1.00 0.54 C ATOM 1270 CD PRO A 105 -9.427 10.200 -6.006 1.00 0.39 C ATOM 0 HA PRO A 105 -10.148 13.064 -4.724 1.00 0.59 H new ATOM 0 HB2 PRO A 105 -9.384 13.263 -7.317 1.00 0.69 H new ATOM 0 HB3 PRO A 105 -8.216 12.788 -6.100 1.00 0.69 H new ATOM 0 HG2 PRO A 105 -9.803 10.986 -7.996 1.00 0.54 H new ATOM 0 HG3 PRO A 105 -8.102 10.888 -7.584 1.00 0.54 H new ATOM 0 HD2 PRO A 105 -9.978 9.322 -6.343 1.00 0.39 H new ATOM 0 HD3 PRO A 105 -8.517 9.840 -5.525 1.00 0.39 H new