USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 651 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 82 SER OG : rot 180:sc= 0.00606 USER MOD Set 1.2: A 85 THR OG1 : rot 94:sc= 0.183 USER MOD Set 2.1: A 64 ASN : amide:sc= 0.488 K(o=1.8,f=0.8) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.29 K(o=1.8,f=-3.5!) USER MOD Set 3.1: A 49 SER OG : rot -148:sc= -0.0474 USER MOD Set 3.2: A 88 ASN : amide:sc= 0.543 K(o=0.5,f=-1.6) USER MOD Set 4.1: A 41 THR OG1 : rot -62:sc= 0.999 USER MOD Set 4.2: A 91 ASN : amide:sc= -0.231 K(o=0.77,f=-3.1!) USER MOD Set 5.1: A 5 GLN : amide:sc= -2.01! K(o=-1.7!,f=-0.3) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.719 K(o=-1.7,f=-0.46) USER MOD Set 5.3: A 38 SER OG : rot 157:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -164:sc= -1.92 (180deg=-2.93!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.2!) USER MOD Single : A 12 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.016) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -0.0744 (180deg=-0.908) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.6!) USER MOD Single : A 79 TYR OH : rot 15:sc= 0.841 USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.223 (180deg=-0.696) USER MOD Single : A 83 THR OG1 : rot -68:sc= 0.542 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 89 SER OG : rot -1:sc= 0.433 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.603 1.325 6.440 1.00 1.70 N ATOM 2 CA MET A 1 12.507 0.947 7.367 1.00 1.61 C ATOM 3 C MET A 1 11.532 -0.030 6.708 1.00 0.88 C ATOM 4 O MET A 1 11.135 -1.019 7.321 1.00 1.16 O ATOM 5 CB MET A 1 11.765 2.196 7.866 1.00 2.50 C ATOM 6 CG MET A 1 10.484 1.878 8.620 1.00 2.77 C ATOM 7 SD MET A 1 10.724 0.678 9.944 1.00 2.91 S ATOM 8 CE MET A 1 9.030 0.175 10.253 1.00 2.61 C ATOM 0 H1 MET A 1 14.247 1.988 6.916 1.00 1.70 H new ATOM 0 H2 MET A 1 14.129 0.473 6.159 1.00 1.70 H new ATOM 0 H3 MET A 1 13.202 1.779 5.595 1.00 1.70 H new ATOM 0 HA MET A 1 12.955 0.444 8.224 1.00 1.61 H new ATOM 0 HB2 MET A 1 12.428 2.767 8.516 1.00 2.50 H new ATOM 0 HB3 MET A 1 11.527 2.833 7.014 1.00 2.50 H new ATOM 0 HG2 MET A 1 10.079 2.798 9.041 1.00 2.77 H new ATOM 0 HG3 MET A 1 9.742 1.494 7.919 1.00 2.77 H new ATOM 0 HE1 MET A 1 8.972 -0.337 11.214 1.00 2.61 H new ATOM 0 HE2 MET A 1 8.387 1.055 10.271 1.00 2.61 H new ATOM 0 HE3 MET A 1 8.701 -0.499 9.462 1.00 2.61 H new ATOM 20 N THR A 2 11.121 0.264 5.475 1.00 0.65 N ATOM 21 CA THR A 2 10.303 -0.655 4.690 1.00 1.13 C ATOM 22 C THR A 2 8.847 -0.661 5.157 1.00 1.10 C ATOM 23 O THR A 2 8.035 0.030 4.581 1.00 1.86 O ATOM 24 CB THR A 2 10.864 -2.084 4.718 1.00 1.75 C ATOM 25 OG1 THR A 2 12.276 -2.061 4.447 1.00 2.36 O ATOM 26 CG2 THR A 2 10.166 -2.951 3.683 1.00 2.63 C ATOM 0 H THR A 2 11.344 1.137 4.997 1.00 0.65 H new ATOM 0 HA THR A 2 10.334 -0.291 3.663 1.00 1.13 H new ATOM 0 HB THR A 2 10.688 -2.504 5.708 1.00 1.75 H new ATOM 0 HG1 THR A 2 12.628 -2.975 4.468 1.00 2.36 H new ATOM 0 HG21 THR A 2 10.576 -3.960 3.717 1.00 2.63 H new ATOM 0 HG22 THR A 2 9.098 -2.986 3.898 1.00 2.63 H new ATOM 0 HG23 THR A 2 10.322 -2.529 2.690 1.00 2.63 H new ATOM 34 N CYS A 3 8.520 -1.415 6.209 1.00 0.81 N ATOM 35 CA CYS A 3 7.141 -1.485 6.707 1.00 0.69 C ATOM 36 C CYS A 3 6.638 -0.092 7.097 1.00 0.65 C ATOM 37 O CYS A 3 5.473 0.246 6.903 1.00 0.79 O ATOM 38 CB CYS A 3 7.050 -2.451 7.896 1.00 0.76 C ATOM 39 SG CYS A 3 5.354 -2.794 8.488 1.00 0.70 S ATOM 0 H CYS A 3 9.186 -1.984 6.731 1.00 0.81 H new ATOM 0 HA CYS A 3 6.503 -1.864 5.909 1.00 0.69 H new ATOM 0 HB2 CYS A 3 7.518 -3.394 7.614 1.00 0.76 H new ATOM 0 HB3 CYS A 3 7.631 -2.041 8.722 1.00 0.76 H new ATOM 44 N GLY A 4 7.545 0.730 7.603 1.00 0.57 N ATOM 45 CA GLY A 4 7.193 2.101 7.952 1.00 0.56 C ATOM 46 C GLY A 4 7.172 2.976 6.722 1.00 0.51 C ATOM 47 O GLY A 4 6.511 4.012 6.679 1.00 0.53 O ATOM 0 H GLY A 4 8.517 0.478 7.780 1.00 0.57 H new ATOM 0 HA2 GLY A 4 6.216 2.119 8.434 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.911 2.494 8.672 1.00 0.56 H new ATOM 51 N GLN A 5 7.913 2.538 5.723 1.00 0.52 N ATOM 52 CA GLN A 5 7.900 3.153 4.410 1.00 0.51 C ATOM 53 C GLN A 5 6.534 2.901 3.767 1.00 0.46 C ATOM 54 O GLN A 5 5.948 3.792 3.156 1.00 0.52 O ATOM 55 CB GLN A 5 9.028 2.541 3.573 1.00 0.60 C ATOM 56 CG GLN A 5 9.150 3.064 2.159 1.00 0.62 C ATOM 57 CD GLN A 5 9.906 2.095 1.269 1.00 0.81 C ATOM 58 OE1 GLN A 5 10.805 1.388 1.728 1.00 1.25 O ATOM 59 NE2 GLN A 5 9.536 2.046 -0.002 1.00 0.96 N ATOM 0 H GLN A 5 8.545 1.741 5.800 1.00 0.52 H new ATOM 0 HA GLN A 5 8.060 4.229 4.476 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.973 2.714 4.088 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.880 1.462 3.531 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.156 3.237 1.747 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.663 4.026 2.169 1.00 0.62 H new ATOM 0 HE21 GLN A 5 8.786 2.650 -0.339 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.001 1.404 -0.644 1.00 0.96 H new ATOM 68 N VAL A 6 6.034 1.675 3.950 1.00 0.43 N ATOM 69 CA VAL A 6 4.706 1.278 3.481 1.00 0.44 C ATOM 70 C VAL A 6 3.645 2.141 4.143 1.00 0.44 C ATOM 71 O VAL A 6 2.686 2.572 3.508 1.00 0.49 O ATOM 72 CB VAL A 6 4.385 -0.192 3.835 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.236 -0.720 3.008 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.592 -1.086 3.677 1.00 1.12 C ATOM 0 H VAL A 6 6.541 0.930 4.428 1.00 0.43 H new ATOM 0 HA VAL A 6 4.704 1.401 2.398 1.00 0.44 H new ATOM 0 HB VAL A 6 4.091 -0.203 4.885 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.036 -1.756 3.282 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.347 -0.118 3.194 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.495 -0.668 1.950 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.323 -2.110 3.936 1.00 1.12 H new ATOM 0 HG22 VAL A 6 5.937 -1.052 2.644 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.388 -0.742 4.337 1.00 1.12 H new ATOM 84 N GLN A 7 3.834 2.385 5.434 1.00 0.47 N ATOM 85 CA GLN A 7 2.923 3.221 6.197 1.00 0.54 C ATOM 86 C GLN A 7 2.733 4.564 5.498 1.00 0.58 C ATOM 87 O GLN A 7 1.680 5.175 5.599 1.00 0.70 O ATOM 88 CB GLN A 7 3.444 3.421 7.626 1.00 0.66 C ATOM 89 CG GLN A 7 2.491 4.198 8.520 1.00 0.98 C ATOM 90 CD GLN A 7 3.000 4.333 9.941 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.712 3.499 10.799 1.00 1.97 O ATOM 92 NE2 GLN A 7 3.755 5.387 10.203 1.00 1.69 N ATOM 0 H GLN A 7 4.615 2.012 5.974 1.00 0.47 H new ATOM 0 HA GLN A 7 1.956 2.721 6.256 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.635 2.446 8.074 1.00 0.66 H new ATOM 0 HB3 GLN A 7 4.399 3.945 7.585 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.333 5.191 8.099 1.00 0.98 H new ATOM 0 HG3 GLN A 7 1.522 3.699 8.532 1.00 0.98 H new ATOM 0 HE21 GLN A 7 3.971 6.056 9.464 1.00 1.69 H new ATOM 0 HE22 GLN A 7 4.121 5.531 11.144 1.00 1.69 H new ATOM 101 N GLY A 8 3.746 4.995 4.753 1.00 0.60 N ATOM 102 CA GLY A 8 3.656 6.242 4.023 1.00 0.70 C ATOM 103 C GLY A 8 2.596 6.226 2.933 1.00 0.66 C ATOM 104 O GLY A 8 1.970 7.255 2.667 1.00 0.82 O ATOM 0 H GLY A 8 4.630 4.499 4.643 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.436 7.049 4.722 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.625 6.463 3.575 1.00 0.70 H new ATOM 108 N ASN A 9 2.377 5.073 2.301 1.00 0.58 N ATOM 109 CA ASN A 9 1.389 4.987 1.230 1.00 0.63 C ATOM 110 C ASN A 9 -0.005 4.761 1.808 1.00 0.62 C ATOM 111 O ASN A 9 -1.002 5.188 1.234 1.00 0.78 O ATOM 112 CB ASN A 9 1.741 3.899 0.194 1.00 0.75 C ATOM 113 CG ASN A 9 1.249 2.501 0.530 1.00 1.30 C ATOM 114 OD1 ASN A 9 1.968 1.700 1.115 1.00 1.86 O ATOM 115 ND2 ASN A 9 0.022 2.190 0.132 1.00 1.86 N ATOM 0 H ASN A 9 2.862 4.200 2.508 1.00 0.58 H new ATOM 0 HA ASN A 9 1.399 5.940 0.701 1.00 0.63 H new ATOM 0 HB2 ASN A 9 1.326 4.191 -0.771 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.824 3.867 0.078 1.00 0.75 H new ATOM 0 HD21 ASN A 9 -0.351 1.258 0.311 1.00 1.86 H new ATOM 0 HD22 ASN A 9 -0.548 2.883 -0.353 1.00 1.86 H new ATOM 122 N LEU A 10 -0.069 4.095 2.952 1.00 0.56 N ATOM 123 CA LEU A 10 -1.345 3.869 3.632 1.00 0.66 C ATOM 124 C LEU A 10 -1.798 5.101 4.417 1.00 0.65 C ATOM 125 O LEU A 10 -2.908 5.589 4.222 1.00 0.72 O ATOM 126 CB LEU A 10 -1.276 2.667 4.588 1.00 0.89 C ATOM 127 CG LEU A 10 -1.439 1.284 3.948 1.00 1.00 C ATOM 128 CD1 LEU A 10 -2.626 1.259 2.997 1.00 1.45 C ATOM 129 CD2 LEU A 10 -0.167 0.858 3.238 1.00 1.73 C ATOM 0 H LEU A 10 0.741 3.702 3.430 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.072 3.660 2.847 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.317 2.695 5.105 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.050 2.787 5.346 1.00 0.89 H new ATOM 0 HG LEU A 10 -1.633 0.568 4.747 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.719 0.266 2.557 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -3.537 1.499 3.546 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.474 1.994 2.206 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -0.311 -0.127 2.793 1.00 1.73 H new ATOM 0 HD22 LEU A 10 0.072 1.578 2.456 1.00 1.73 H new ATOM 0 HD23 LEU A 10 0.653 0.816 3.955 1.00 1.73 H new ATOM 141 N ALA A 11 -0.923 5.600 5.288 1.00 0.62 N ATOM 142 CA ALA A 11 -1.273 6.655 6.244 1.00 0.69 C ATOM 143 C ALA A 11 -1.894 7.869 5.567 1.00 0.63 C ATOM 144 O ALA A 11 -2.890 8.410 6.045 1.00 0.72 O ATOM 145 CB ALA A 11 -0.046 7.080 7.036 1.00 0.77 C ATOM 0 H ALA A 11 0.046 5.287 5.353 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.020 6.237 6.919 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.322 7.864 7.741 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.350 6.223 7.582 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.715 7.458 6.353 1.00 0.77 H new ATOM 151 N GLN A 12 -1.315 8.286 4.452 1.00 0.56 N ATOM 152 CA GLN A 12 -1.786 9.476 3.758 1.00 0.53 C ATOM 153 C GLN A 12 -3.148 9.231 3.127 1.00 0.52 C ATOM 154 O GLN A 12 -4.011 10.108 3.135 1.00 0.60 O ATOM 155 CB GLN A 12 -0.781 9.899 2.690 1.00 0.56 C ATOM 156 CG GLN A 12 0.626 10.103 3.225 1.00 0.52 C ATOM 157 CD GLN A 12 0.761 11.324 4.119 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.590 11.347 5.030 1.00 2.18 O ATOM 159 NE2 GLN A 12 -0.050 12.348 3.876 1.00 1.88 N ATOM 0 H GLN A 12 -0.522 7.821 4.009 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.885 10.279 4.488 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.756 9.142 1.906 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.123 10.825 2.228 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.926 9.217 3.785 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.315 10.198 2.386 1.00 0.52 H new ATOM 0 HE21 GLN A 12 -0.725 12.294 3.113 1.00 1.88 H new ATOM 0 HE22 GLN A 12 0.002 13.188 4.453 1.00 1.88 H new ATOM 168 N CYS A 13 -3.350 8.035 2.596 1.00 0.52 N ATOM 169 CA CYS A 13 -4.619 7.701 1.969 1.00 0.56 C ATOM 170 C CYS A 13 -5.677 7.356 2.996 1.00 0.53 C ATOM 171 O CYS A 13 -6.851 7.413 2.682 1.00 0.56 O ATOM 172 CB CYS A 13 -4.473 6.548 0.981 1.00 0.69 C ATOM 173 SG CYS A 13 -4.107 7.093 -0.709 1.00 1.23 S ATOM 0 H CYS A 13 -2.658 7.286 2.586 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.937 8.590 1.425 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.678 5.885 1.322 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.394 5.965 0.976 1.00 0.69 H new ATOM 178 N ILE A 14 -5.251 7.020 4.214 1.00 0.58 N ATOM 179 CA ILE A 14 -6.160 6.612 5.295 1.00 0.67 C ATOM 180 C ILE A 14 -7.428 7.470 5.355 1.00 0.67 C ATOM 181 O ILE A 14 -8.532 6.945 5.528 1.00 0.77 O ATOM 182 CB ILE A 14 -5.444 6.667 6.666 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.737 5.337 6.941 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.417 7.020 7.789 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.982 5.301 8.255 1.00 1.11 C ATOM 0 H ILE A 14 -4.267 7.022 4.483 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.457 5.587 5.072 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.695 7.458 6.632 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.477 4.536 6.937 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.041 5.132 6.128 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -5.882 7.050 8.738 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -6.862 7.995 7.592 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.203 6.267 7.840 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.509 4.326 8.376 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.218 6.078 8.257 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.676 5.473 9.078 1.00 1.11 H new ATOM 197 N GLY A 15 -7.266 8.779 5.200 1.00 0.66 N ATOM 198 CA GLY A 15 -8.408 9.676 5.262 1.00 0.76 C ATOM 199 C GLY A 15 -9.485 9.333 4.248 1.00 0.86 C ATOM 200 O GLY A 15 -10.673 9.469 4.523 1.00 1.45 O ATOM 0 H GLY A 15 -6.369 9.235 5.033 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.836 9.643 6.264 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.070 10.698 5.094 1.00 0.76 H new ATOM 204 N PHE A 16 -9.064 8.867 3.089 1.00 0.61 N ATOM 205 CA PHE A 16 -9.975 8.413 2.048 1.00 0.60 C ATOM 206 C PHE A 16 -10.188 6.907 2.167 1.00 0.60 C ATOM 207 O PHE A 16 -11.275 6.392 1.942 1.00 0.69 O ATOM 208 CB PHE A 16 -9.377 8.763 0.684 1.00 0.59 C ATOM 209 CG PHE A 16 -9.972 8.013 -0.481 1.00 0.62 C ATOM 210 CD1 PHE A 16 -11.069 8.521 -1.165 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.441 6.801 -0.888 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.624 7.835 -2.226 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.992 6.110 -1.950 1.00 0.85 C ATOM 214 CZ PHE A 16 -11.054 6.630 -2.637 1.00 0.91 C ATOM 0 H PHE A 16 -8.078 8.791 2.838 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.942 8.905 2.157 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.503 9.832 0.512 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.305 8.569 0.713 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.494 9.467 -0.862 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.587 6.391 -0.370 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.492 8.228 -2.734 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.582 5.154 -2.239 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.451 6.109 -3.496 1.00 0.91 H new ATOM 224 N LEU A 17 -9.117 6.241 2.539 1.00 0.56 N ATOM 225 CA LEU A 17 -9.051 4.797 2.689 1.00 0.67 C ATOM 226 C LEU A 17 -10.140 4.280 3.631 1.00 0.79 C ATOM 227 O LEU A 17 -10.711 3.212 3.412 1.00 0.87 O ATOM 228 CB LEU A 17 -7.674 4.473 3.272 1.00 0.74 C ATOM 229 CG LEU A 17 -7.233 3.023 3.233 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.046 2.563 1.797 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.942 2.849 4.019 1.00 1.43 C ATOM 0 H LEU A 17 -8.234 6.704 2.754 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.205 4.317 1.723 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -6.932 5.067 2.738 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.660 4.803 4.311 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.008 2.409 3.692 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.729 1.520 1.787 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -7.988 2.661 1.258 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.286 3.177 1.314 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.633 1.804 3.985 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.162 3.472 3.581 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.104 3.146 5.055 1.00 1.43 H new ATOM 243 N GLN A 18 -10.398 5.043 4.686 1.00 0.87 N ATOM 244 CA GLN A 18 -11.366 4.672 5.690 1.00 1.07 C ATOM 245 C GLN A 18 -12.599 5.577 5.640 1.00 1.09 C ATOM 246 O GLN A 18 -13.731 5.096 5.612 1.00 1.20 O ATOM 247 CB GLN A 18 -10.704 4.755 7.064 1.00 1.25 C ATOM 248 CG GLN A 18 -11.682 4.662 8.210 1.00 1.08 C ATOM 249 CD GLN A 18 -11.019 4.805 9.565 1.00 1.33 C ATOM 250 OE1 GLN A 18 -9.857 4.444 9.746 1.00 1.73 O ATOM 251 NE2 GLN A 18 -11.752 5.330 10.528 1.00 2.00 N ATOM 0 H GLN A 18 -9.937 5.936 4.862 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.703 3.653 5.497 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -9.972 3.952 7.155 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.157 5.695 7.139 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.439 5.438 8.098 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -12.198 3.703 8.163 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -12.712 5.617 10.339 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -11.358 5.448 11.462 1.00 2.00 H new ATOM 260 N LYS A 19 -12.380 6.890 5.626 1.00 1.06 N ATOM 261 CA LYS A 19 -13.488 7.836 5.701 1.00 1.21 C ATOM 262 C LYS A 19 -14.049 8.146 4.314 1.00 1.34 C ATOM 263 O LYS A 19 -15.254 8.327 4.151 1.00 2.08 O ATOM 264 CB LYS A 19 -13.046 9.131 6.392 1.00 1.41 C ATOM 265 CG LYS A 19 -12.492 8.914 7.792 1.00 1.98 C ATOM 266 CD LYS A 19 -12.149 10.225 8.496 1.00 2.69 C ATOM 267 CE LYS A 19 -11.058 11.007 7.772 1.00 3.29 C ATOM 268 NZ LYS A 19 -11.617 11.971 6.786 1.00 4.09 N ATOM 0 H LYS A 19 -11.456 7.318 5.564 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.278 7.372 6.291 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.286 9.618 5.781 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -13.895 9.812 6.448 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -13.223 8.366 8.387 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -11.598 8.293 7.733 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.046 10.840 8.569 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -11.825 10.013 9.515 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -10.454 11.546 8.502 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -10.393 10.311 7.260 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -11.126 11.861 5.876 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -12.632 11.786 6.657 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -11.484 12.941 7.136 1.00 4.09 H new ATOM 282 N GLY A 20 -13.171 8.205 3.322 1.00 1.18 N ATOM 283 CA GLY A 20 -13.597 8.508 1.968 1.00 1.47 C ATOM 284 C GLY A 20 -13.258 9.930 1.574 1.00 1.29 C ATOM 285 O GLY A 20 -12.563 10.631 2.311 1.00 1.99 O ATOM 0 H GLY A 20 -12.169 8.048 3.430 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.120 7.816 1.274 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.673 8.354 1.883 1.00 1.47 H new ATOM 289 N GLY A 21 -13.731 10.358 0.413 1.00 1.10 N ATOM 290 CA GLY A 21 -13.499 11.721 -0.022 1.00 1.37 C ATOM 291 C GLY A 21 -12.639 11.813 -1.267 1.00 1.26 C ATOM 292 O GLY A 21 -13.136 11.670 -2.385 1.00 1.79 O ATOM 0 H GLY A 21 -14.271 9.786 -0.236 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.458 12.202 -0.214 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -13.020 12.276 0.784 1.00 1.37 H new ATOM 296 N VAL A 22 -11.348 12.036 -1.074 1.00 1.14 N ATOM 297 CA VAL A 22 -10.439 12.274 -2.187 1.00 1.00 C ATOM 298 C VAL A 22 -9.035 11.752 -1.866 1.00 0.82 C ATOM 299 O VAL A 22 -8.590 11.820 -0.717 1.00 0.87 O ATOM 300 CB VAL A 22 -10.379 13.787 -2.527 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.948 14.600 -1.312 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.454 14.054 -3.706 1.00 1.28 C ATOM 0 H VAL A 22 -10.905 12.057 -0.156 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.819 11.733 -3.054 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.383 14.101 -2.812 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.913 15.657 -1.575 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -10.662 14.451 -0.502 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.960 14.274 -0.988 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.434 15.123 -3.918 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.447 13.714 -3.463 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.817 13.517 -4.582 1.00 1.28 H new ATOM 312 N VAL A 23 -8.356 11.209 -2.873 1.00 0.71 N ATOM 313 CA VAL A 23 -6.976 10.771 -2.711 1.00 0.58 C ATOM 314 C VAL A 23 -6.029 11.921 -3.015 1.00 0.54 C ATOM 315 O VAL A 23 -6.012 12.447 -4.132 1.00 0.58 O ATOM 316 CB VAL A 23 -6.636 9.576 -3.623 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.169 9.184 -3.488 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.534 8.402 -3.291 1.00 0.69 C ATOM 0 H VAL A 23 -8.739 11.063 -3.807 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.857 10.448 -1.677 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.807 9.871 -4.658 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.957 8.338 -4.142 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.539 10.028 -3.770 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.961 8.905 -2.455 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.288 7.561 -3.939 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.386 8.113 -2.250 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.575 8.686 -3.444 1.00 0.69 H new ATOM 328 N PRO A 24 -5.240 12.337 -2.024 1.00 0.54 N ATOM 329 CA PRO A 24 -4.310 13.449 -2.160 1.00 0.58 C ATOM 330 C PRO A 24 -3.007 13.028 -2.834 1.00 0.55 C ATOM 331 O PRO A 24 -2.544 11.898 -2.655 1.00 0.47 O ATOM 332 CB PRO A 24 -4.045 13.872 -0.704 1.00 0.67 C ATOM 333 CG PRO A 24 -4.885 12.973 0.151 1.00 0.81 C ATOM 334 CD PRO A 24 -5.185 11.766 -0.678 1.00 0.59 C ATOM 0 HA PRO A 24 -4.714 14.247 -2.783 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.989 13.771 -0.455 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.310 14.918 -0.548 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -4.355 12.697 1.063 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -5.804 13.474 0.456 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.410 11.005 -0.588 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.127 11.298 -0.393 1.00 0.59 H new ATOM 342 N PRO A 25 -2.380 13.944 -3.599 1.00 0.65 N ATOM 343 CA PRO A 25 -1.086 13.696 -4.255 1.00 0.67 C ATOM 344 C PRO A 25 0.014 13.361 -3.247 1.00 0.66 C ATOM 345 O PRO A 25 1.099 12.905 -3.612 1.00 0.71 O ATOM 346 CB PRO A 25 -0.772 15.014 -4.970 1.00 0.81 C ATOM 347 CG PRO A 25 -1.664 16.029 -4.336 1.00 1.03 C ATOM 348 CD PRO A 25 -2.894 15.285 -3.904 1.00 0.81 C ATOM 0 HA PRO A 25 -1.134 12.841 -4.929 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.277 15.285 -4.853 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.963 14.936 -6.040 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.174 16.501 -3.484 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -1.915 16.822 -5.040 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -3.359 15.746 -3.033 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.647 15.259 -4.692 1.00 0.81 H new ATOM 356 N SER A 26 -0.295 13.571 -1.979 1.00 0.68 N ATOM 357 CA SER A 26 0.615 13.266 -0.889 1.00 0.73 C ATOM 358 C SER A 26 0.711 11.762 -0.753 1.00 0.65 C ATOM 359 O SER A 26 1.798 11.187 -0.668 1.00 0.68 O ATOM 360 CB SER A 26 0.085 13.880 0.407 1.00 0.83 C ATOM 361 OG SER A 26 -0.231 15.250 0.220 1.00 0.91 O ATOM 0 H SER A 26 -1.188 13.960 -1.676 1.00 0.68 H new ATOM 0 HA SER A 26 1.602 13.681 -1.092 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.802 13.339 0.736 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.831 13.778 1.195 1.00 0.83 H new ATOM 0 HG SER A 26 -0.570 15.625 1.059 1.00 0.91 H new ATOM 367 N CYS A 27 -0.454 11.131 -0.758 1.00 0.58 N ATOM 368 CA CYS A 27 -0.537 9.691 -0.775 1.00 0.55 C ATOM 369 C CYS A 27 0.049 9.171 -2.066 1.00 0.47 C ATOM 370 O CYS A 27 0.826 8.224 -2.064 1.00 0.48 O ATOM 371 CB CYS A 27 -1.976 9.225 -0.666 1.00 0.57 C ATOM 372 SG CYS A 27 -2.119 7.417 -0.650 1.00 0.74 S ATOM 0 H CYS A 27 -1.357 11.604 -0.750 1.00 0.58 H new ATOM 0 HA CYS A 27 0.021 9.307 0.079 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.418 9.630 0.245 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.549 9.624 -1.503 1.00 0.57 H new ATOM 377 N CYS A 28 -0.309 9.824 -3.167 1.00 0.42 N ATOM 378 CA CYS A 28 0.155 9.409 -4.475 1.00 0.40 C ATOM 379 C CYS A 28 1.670 9.369 -4.549 1.00 0.45 C ATOM 380 O CYS A 28 2.243 8.524 -5.236 1.00 0.50 O ATOM 381 CB CYS A 28 -0.422 10.301 -5.568 1.00 0.45 C ATOM 382 SG CYS A 28 -2.138 9.873 -5.966 1.00 1.40 S ATOM 0 H CYS A 28 -0.919 10.642 -3.174 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.205 8.393 -4.640 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.374 11.342 -5.248 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.190 10.215 -6.466 1.00 0.45 H new ATOM 387 N THR A 29 2.316 10.264 -3.822 1.00 0.51 N ATOM 388 CA THR A 29 3.760 10.265 -3.753 1.00 0.58 C ATOM 389 C THR A 29 4.249 9.063 -2.945 1.00 0.54 C ATOM 390 O THR A 29 5.175 8.360 -3.352 1.00 0.56 O ATOM 391 CB THR A 29 4.284 11.570 -3.120 1.00 0.72 C ATOM 392 OG1 THR A 29 3.791 12.702 -3.851 1.00 0.79 O ATOM 393 CG2 THR A 29 5.806 11.601 -3.098 1.00 0.77 C ATOM 0 H THR A 29 1.862 10.995 -3.274 1.00 0.51 H new ATOM 0 HA THR A 29 4.147 10.197 -4.770 1.00 0.58 H new ATOM 0 HB THR A 29 3.925 11.612 -2.092 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.837 12.822 -3.664 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.144 12.533 -2.646 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.179 10.759 -2.515 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.186 11.533 -4.117 1.00 0.77 H new ATOM 401 N GLY A 30 3.595 8.816 -1.813 1.00 0.54 N ATOM 402 CA GLY A 30 3.950 7.687 -0.971 1.00 0.57 C ATOM 403 C GLY A 30 3.705 6.355 -1.656 1.00 0.47 C ATOM 404 O GLY A 30 4.472 5.409 -1.480 1.00 0.51 O ATOM 0 H GLY A 30 2.822 9.381 -1.463 1.00 0.54 H new ATOM 0 HA2 GLY A 30 5.001 7.761 -0.692 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.372 7.730 -0.048 1.00 0.57 H new ATOM 408 N VAL A 31 2.633 6.276 -2.436 1.00 0.41 N ATOM 409 CA VAL A 31 2.336 5.072 -3.201 1.00 0.44 C ATOM 410 C VAL A 31 3.419 4.838 -4.248 1.00 0.39 C ATOM 411 O VAL A 31 3.930 3.729 -4.380 1.00 0.40 O ATOM 412 CB VAL A 31 0.955 5.146 -3.893 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.663 3.857 -4.644 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.142 5.424 -2.879 1.00 0.65 C ATOM 0 H VAL A 31 1.957 7.030 -2.555 1.00 0.41 H new ATOM 0 HA VAL A 31 2.311 4.240 -2.497 1.00 0.44 H new ATOM 0 HB VAL A 31 0.979 5.968 -4.609 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.313 3.929 -5.124 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.429 3.696 -5.402 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.663 3.021 -3.945 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.105 5.472 -3.388 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.163 4.625 -2.138 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.054 6.375 -2.383 1.00 0.65 H new ATOM 424 N LYS A 32 3.787 5.896 -4.972 1.00 0.40 N ATOM 425 CA LYS A 32 4.861 5.810 -5.956 1.00 0.46 C ATOM 426 C LYS A 32 6.175 5.416 -5.283 1.00 0.44 C ATOM 427 O LYS A 32 7.024 4.754 -5.889 1.00 0.49 O ATOM 428 CB LYS A 32 5.035 7.136 -6.700 1.00 0.58 C ATOM 429 CG LYS A 32 3.930 7.414 -7.705 1.00 1.05 C ATOM 430 CD LYS A 32 4.171 8.715 -8.454 1.00 1.14 C ATOM 431 CE LYS A 32 3.110 8.950 -9.516 1.00 1.31 C ATOM 432 NZ LYS A 32 3.330 10.222 -10.252 1.00 1.54 N ATOM 0 H LYS A 32 3.358 6.818 -4.894 1.00 0.40 H new ATOM 0 HA LYS A 32 4.588 5.042 -6.679 1.00 0.46 H new ATOM 0 HB2 LYS A 32 5.069 7.949 -5.975 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.994 7.130 -7.218 1.00 0.58 H new ATOM 0 HG2 LYS A 32 3.868 6.590 -8.416 1.00 1.05 H new ATOM 0 HG3 LYS A 32 2.971 7.463 -7.189 1.00 1.05 H new ATOM 0 HD2 LYS A 32 4.173 9.547 -7.750 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.156 8.690 -8.921 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.112 8.118 -10.221 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.126 8.968 -9.047 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.584 10.343 -10.967 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.302 11.019 -9.584 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.258 10.196 -10.721 1.00 1.54 H new ATOM 446 N ASN A 33 6.329 5.828 -4.028 1.00 0.41 N ATOM 447 CA ASN A 33 7.475 5.438 -3.215 1.00 0.44 C ATOM 448 C ASN A 33 7.481 3.931 -3.024 1.00 0.39 C ATOM 449 O ASN A 33 8.480 3.262 -3.262 1.00 0.46 O ATOM 450 CB ASN A 33 7.403 6.112 -1.843 1.00 0.52 C ATOM 451 CG ASN A 33 8.678 5.957 -1.038 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.860 4.974 -0.322 1.00 2.11 O ATOM 453 ND2 ASN A 33 9.561 6.936 -1.123 1.00 1.58 N ATOM 0 H ASN A 33 5.667 6.438 -3.549 1.00 0.41 H new ATOM 0 HA ASN A 33 8.386 5.750 -3.726 1.00 0.44 H new ATOM 0 HB2 ASN A 33 7.191 7.173 -1.976 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.571 5.689 -1.280 1.00 0.52 H new ATOM 0 HD21 ASN A 33 10.426 6.891 -0.584 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.378 7.737 -1.727 1.00 1.58 H new ATOM 460 N ILE A 34 6.344 3.414 -2.599 1.00 0.36 N ATOM 461 CA ILE A 34 6.165 1.994 -2.361 1.00 0.40 C ATOM 462 C ILE A 34 6.275 1.165 -3.651 1.00 0.48 C ATOM 463 O ILE A 34 6.435 -0.057 -3.616 1.00 0.57 O ATOM 464 CB ILE A 34 4.820 1.790 -1.622 1.00 0.48 C ATOM 465 CG1 ILE A 34 4.970 2.250 -0.174 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.297 0.369 -1.683 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.279 1.836 0.473 1.00 0.58 C ATOM 0 H ILE A 34 5.512 3.972 -2.408 1.00 0.36 H new ATOM 0 HA ILE A 34 6.974 1.625 -1.730 1.00 0.40 H new ATOM 0 HB ILE A 34 4.075 2.395 -2.138 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.886 3.336 -0.138 1.00 0.61 H new ATOM 0 HG13 ILE A 34 4.144 1.847 0.412 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.352 0.306 -1.143 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.140 0.083 -2.723 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.022 -0.305 -1.227 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.309 2.201 1.500 1.00 0.58 H new ATOM 0 HD12 ILE A 34 6.358 0.749 0.471 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.112 2.261 -0.087 1.00 0.58 H new ATOM 479 N LEU A 35 6.231 1.834 -4.784 1.00 0.56 N ATOM 480 CA LEU A 35 6.564 1.191 -6.045 1.00 0.79 C ATOM 481 C LEU A 35 8.058 1.279 -6.334 1.00 0.93 C ATOM 482 O LEU A 35 8.792 0.298 -6.225 1.00 1.31 O ATOM 483 CB LEU A 35 5.800 1.820 -7.211 1.00 1.04 C ATOM 484 CG LEU A 35 4.455 1.183 -7.526 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.375 1.671 -6.575 1.00 1.36 C ATOM 486 CD2 LEU A 35 4.074 1.445 -8.972 1.00 1.93 C ATOM 0 H LEU A 35 5.970 2.817 -4.862 1.00 0.56 H new ATOM 0 HA LEU A 35 6.275 0.145 -5.948 1.00 0.79 H new ATOM 0 HB2 LEU A 35 5.641 2.876 -6.992 1.00 1.04 H new ATOM 0 HB3 LEU A 35 6.425 1.770 -8.103 1.00 1.04 H new ATOM 0 HG LEU A 35 4.547 0.106 -7.385 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.427 1.197 -6.827 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.648 1.414 -5.552 1.00 1.36 H new ATOM 0 HD13 LEU A 35 3.274 2.753 -6.663 1.00 1.36 H new ATOM 0 HD21 LEU A 35 3.109 0.983 -9.183 1.00 1.93 H new ATOM 0 HD22 LEU A 35 4.007 2.520 -9.142 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.832 1.020 -9.631 1.00 1.93 H new ATOM 498 N ASN A 36 8.494 2.478 -6.678 1.00 0.89 N ATOM 499 CA ASN A 36 9.841 2.698 -7.199 1.00 1.06 C ATOM 500 C ASN A 36 10.899 2.714 -6.103 1.00 1.01 C ATOM 501 O ASN A 36 12.011 2.223 -6.301 1.00 1.13 O ATOM 502 CB ASN A 36 9.900 4.019 -7.974 1.00 1.21 C ATOM 503 CG ASN A 36 8.932 4.061 -9.144 1.00 1.58 C ATOM 504 OD1 ASN A 36 9.261 3.639 -10.252 1.00 2.45 O ATOM 505 ND2 ASN A 36 7.738 4.581 -8.903 1.00 1.81 N ATOM 0 H ASN A 36 7.931 3.326 -6.606 1.00 0.89 H new ATOM 0 HA ASN A 36 10.060 1.860 -7.861 1.00 1.06 H new ATOM 0 HB2 ASN A 36 9.678 4.843 -7.296 1.00 1.21 H new ATOM 0 HB3 ASN A 36 10.914 4.174 -8.342 1.00 1.21 H new ATOM 0 HD21 ASN A 36 7.048 4.644 -9.652 1.00 1.81 H new ATOM 0 HD22 ASN A 36 7.508 4.919 -7.968 1.00 1.81 H new ATOM 512 N SER A 37 10.561 3.270 -4.950 1.00 0.90 N ATOM 513 CA SER A 37 11.539 3.472 -3.890 1.00 0.98 C ATOM 514 C SER A 37 11.649 2.260 -2.966 1.00 0.84 C ATOM 515 O SER A 37 12.492 2.237 -2.069 1.00 0.94 O ATOM 516 CB SER A 37 11.211 4.728 -3.092 1.00 1.05 C ATOM 517 OG SER A 37 11.303 5.878 -3.918 1.00 1.55 O ATOM 0 H SER A 37 9.619 3.589 -4.724 1.00 0.90 H new ATOM 0 HA SER A 37 12.510 3.600 -4.368 1.00 0.98 H new ATOM 0 HB2 SER A 37 10.206 4.650 -2.677 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.897 4.821 -2.250 1.00 1.05 H new ATOM 0 HG SER A 37 11.088 6.677 -3.392 1.00 1.55 H new ATOM 523 N SER A 38 10.792 1.266 -3.174 1.00 0.67 N ATOM 524 CA SER A 38 10.978 -0.032 -2.546 1.00 0.58 C ATOM 525 C SER A 38 12.192 -0.693 -3.195 1.00 0.67 C ATOM 526 O SER A 38 12.079 -1.405 -4.195 1.00 1.22 O ATOM 527 CB SER A 38 9.716 -0.877 -2.697 1.00 0.54 C ATOM 528 OG SER A 38 8.602 -0.186 -2.166 1.00 1.43 O ATOM 0 H SER A 38 9.967 1.336 -3.770 1.00 0.67 H new ATOM 0 HA SER A 38 11.157 0.073 -1.476 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.545 -1.104 -3.749 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.843 -1.829 -2.182 1.00 0.54 H new ATOM 0 HG SER A 38 7.780 -0.527 -2.576 1.00 1.43 H new ATOM 534 N ARG A 39 13.355 -0.388 -2.631 1.00 0.87 N ATOM 535 CA ARG A 39 14.649 -0.634 -3.268 1.00 1.08 C ATOM 536 C ARG A 39 14.901 -2.101 -3.583 1.00 0.84 C ATOM 537 O ARG A 39 14.684 -2.556 -4.704 1.00 1.22 O ATOM 538 CB ARG A 39 15.773 -0.119 -2.368 1.00 1.40 C ATOM 539 CG ARG A 39 15.628 1.338 -1.972 1.00 1.90 C ATOM 540 CD ARG A 39 16.433 1.642 -0.720 1.00 2.25 C ATOM 541 NE ARG A 39 16.036 0.787 0.399 1.00 2.89 N ATOM 542 CZ ARG A 39 16.421 0.972 1.660 1.00 3.60 C ATOM 543 NH1 ARG A 39 17.215 1.987 1.979 1.00 3.87 N ATOM 544 NH2 ARG A 39 15.995 0.143 2.605 1.00 4.47 N ATOM 0 H ARG A 39 13.430 0.042 -1.709 1.00 0.87 H new ATOM 0 HA ARG A 39 14.630 -0.100 -4.218 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.809 -0.728 -1.465 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.725 -0.252 -2.881 1.00 1.40 H new ATOM 0 HG2 ARG A 39 15.964 1.976 -2.789 1.00 1.90 H new ATOM 0 HG3 ARG A 39 14.577 1.569 -1.799 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.494 1.502 -0.927 1.00 2.25 H new ATOM 0 HD3 ARG A 39 16.297 2.688 -0.445 1.00 2.25 H new ATOM 0 HE ARG A 39 15.423 -0.004 0.200 1.00 2.89 H new ATOM 0 HH11 ARG A 39 17.534 2.632 1.256 1.00 3.87 H new ATOM 0 HH12 ARG A 39 17.506 2.122 2.947 1.00 3.87 H new ATOM 0 HH21 ARG A 39 15.376 -0.631 2.363 1.00 4.47 H new ATOM 0 HH22 ARG A 39 16.287 0.280 3.573 1.00 4.47 H new ATOM 558 N THR A 40 15.354 -2.833 -2.582 1.00 0.62 N ATOM 559 CA THR A 40 15.895 -4.160 -2.793 1.00 0.70 C ATOM 560 C THR A 40 14.842 -5.244 -2.614 1.00 0.75 C ATOM 561 O THR A 40 13.657 -4.952 -2.459 1.00 0.61 O ATOM 562 CB THR A 40 17.063 -4.419 -1.825 1.00 0.88 C ATOM 563 OG1 THR A 40 16.612 -4.299 -0.466 1.00 1.59 O ATOM 564 CG2 THR A 40 18.198 -3.439 -2.080 1.00 1.25 C ATOM 0 H THR A 40 15.357 -2.527 -1.609 1.00 0.62 H new ATOM 0 HA THR A 40 16.249 -4.201 -3.823 1.00 0.70 H new ATOM 0 HB THR A 40 17.432 -5.431 -1.993 1.00 0.88 H new ATOM 0 HG1 THR A 40 16.541 -3.351 -0.227 1.00 1.59 H new ATOM 0 HG21 THR A 40 19.014 -3.639 -1.385 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.556 -3.555 -3.103 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.839 -2.420 -1.934 1.00 1.25 H new ATOM 572 N THR A 41 15.282 -6.495 -2.652 1.00 1.03 N ATOM 573 CA THR A 41 14.407 -7.625 -2.401 1.00 1.16 C ATOM 574 C THR A 41 13.786 -7.521 -1.021 1.00 1.04 C ATOM 575 O THR A 41 12.575 -7.607 -0.882 1.00 0.97 O ATOM 576 CB THR A 41 15.169 -8.951 -2.498 1.00 1.58 C ATOM 577 OG1 THR A 41 15.735 -9.088 -3.809 1.00 1.79 O ATOM 578 CG2 THR A 41 14.244 -10.127 -2.206 1.00 1.73 C ATOM 0 H THR A 41 16.248 -6.750 -2.856 1.00 1.03 H new ATOM 0 HA THR A 41 13.627 -7.605 -3.162 1.00 1.16 H new ATOM 0 HB THR A 41 15.968 -8.949 -1.756 1.00 1.58 H new ATOM 0 HG1 THR A 41 15.016 -9.108 -4.475 1.00 1.79 H new ATOM 0 HG21 THR A 41 14.805 -11.058 -2.280 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.836 -10.028 -1.200 1.00 1.73 H new ATOM 0 HG23 THR A 41 13.428 -10.136 -2.929 1.00 1.73 H new ATOM 586 N ALA A 42 14.619 -7.317 -0.006 1.00 1.12 N ATOM 587 CA ALA A 42 14.134 -7.194 1.362 1.00 1.18 C ATOM 588 C ALA A 42 13.169 -6.024 1.480 1.00 0.98 C ATOM 589 O ALA A 42 12.256 -6.035 2.305 1.00 1.13 O ATOM 590 CB ALA A 42 15.293 -7.030 2.333 1.00 1.41 C ATOM 0 H ALA A 42 15.631 -7.234 -0.105 1.00 1.12 H new ATOM 0 HA ALA A 42 13.602 -8.110 1.620 1.00 1.18 H new ATOM 0 HB1 ALA A 42 14.907 -6.940 3.348 1.00 1.41 H new ATOM 0 HB2 ALA A 42 15.947 -7.900 2.269 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.857 -6.133 2.078 1.00 1.41 H new ATOM 596 N ASP A 43 13.361 -5.029 0.622 1.00 0.74 N ATOM 597 CA ASP A 43 12.492 -3.867 0.591 1.00 0.67 C ATOM 598 C ASP A 43 11.173 -4.222 -0.074 1.00 0.64 C ATOM 599 O ASP A 43 10.106 -3.933 0.454 1.00 0.93 O ATOM 600 CB ASP A 43 13.165 -2.713 -0.159 1.00 0.63 C ATOM 601 CG ASP A 43 14.324 -2.108 0.607 1.00 1.00 C ATOM 602 OD1 ASP A 43 14.135 -1.708 1.773 1.00 1.18 O ATOM 603 OD2 ASP A 43 15.434 -2.026 0.042 1.00 1.72 O ATOM 0 H ASP A 43 14.116 -5.007 -0.063 1.00 0.74 H new ATOM 0 HA ASP A 43 12.300 -3.549 1.616 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.522 -3.073 -1.124 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.426 -1.938 -0.362 1.00 0.63 H new ATOM 608 N ARG A 44 11.261 -4.891 -1.219 1.00 0.54 N ATOM 609 CA ARG A 44 10.083 -5.229 -2.015 1.00 0.61 C ATOM 610 C ARG A 44 9.294 -6.354 -1.353 1.00 0.67 C ATOM 611 O ARG A 44 8.073 -6.443 -1.485 1.00 0.93 O ATOM 612 CB ARG A 44 10.508 -5.656 -3.422 1.00 0.76 C ATOM 613 CG ARG A 44 9.368 -5.667 -4.426 1.00 1.39 C ATOM 614 CD ARG A 44 8.862 -4.259 -4.694 1.00 1.53 C ATOM 615 NE ARG A 44 7.747 -4.240 -5.636 1.00 1.70 N ATOM 616 CZ ARG A 44 7.717 -3.486 -6.735 1.00 2.01 C ATOM 617 NH1 ARG A 44 8.774 -2.755 -7.073 1.00 2.34 N ATOM 618 NH2 ARG A 44 6.637 -3.478 -7.507 1.00 2.70 N ATOM 0 H ARG A 44 12.142 -5.212 -1.620 1.00 0.54 H new ATOM 0 HA ARG A 44 9.446 -4.347 -2.082 1.00 0.61 H new ATOM 0 HB2 ARG A 44 11.287 -4.982 -3.777 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.947 -6.652 -3.373 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.705 -6.119 -5.359 1.00 1.39 H new ATOM 0 HG3 ARG A 44 8.553 -6.284 -4.049 1.00 1.39 H new ATOM 0 HD2 ARG A 44 8.549 -3.803 -3.755 1.00 1.53 H new ATOM 0 HD3 ARG A 44 9.677 -3.651 -5.087 1.00 1.53 H new ATOM 0 HE ARG A 44 6.944 -4.838 -5.442 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.611 -2.770 -6.491 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.748 -2.179 -7.915 1.00 2.34 H new ATOM 0 HH21 ARG A 44 5.829 -4.049 -7.260 1.00 2.70 H new ATOM 0 HH22 ARG A 44 6.615 -2.901 -8.348 1.00 2.70 H new ATOM 632 N ARG A 45 10.013 -7.204 -0.648 1.00 0.66 N ATOM 633 CA ARG A 45 9.431 -8.330 0.062 1.00 0.72 C ATOM 634 C ARG A 45 8.587 -7.828 1.223 1.00 0.76 C ATOM 635 O ARG A 45 7.374 -8.038 1.270 1.00 1.28 O ATOM 636 CB ARG A 45 10.558 -9.215 0.597 1.00 0.88 C ATOM 637 CG ARG A 45 10.156 -10.641 0.912 1.00 1.16 C ATOM 638 CD ARG A 45 11.157 -11.265 1.862 1.00 1.34 C ATOM 639 NE ARG A 45 11.037 -12.717 1.939 1.00 1.99 N ATOM 640 CZ ARG A 45 11.867 -13.484 2.643 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.842 -12.931 3.353 1.00 2.84 N ATOM 642 NH2 ARG A 45 11.710 -14.800 2.646 1.00 3.54 N ATOM 0 H ARG A 45 11.026 -7.134 -0.550 1.00 0.66 H new ATOM 0 HA ARG A 45 8.798 -8.902 -0.617 1.00 0.72 H new ATOM 0 HB2 ARG A 45 11.364 -9.234 -0.136 1.00 0.88 H new ATOM 0 HB3 ARG A 45 10.960 -8.758 1.501 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.161 -10.657 1.357 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.103 -11.224 -0.008 1.00 1.16 H new ATOM 0 HD2 ARG A 45 12.166 -11.005 1.541 1.00 1.34 H new ATOM 0 HD3 ARG A 45 11.020 -10.841 2.857 1.00 1.34 H new ATOM 0 HE ARG A 45 10.278 -13.168 1.427 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.956 -11.917 3.360 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.477 -13.519 3.892 1.00 2.84 H new ATOM 0 HH21 ARG A 45 10.954 -15.225 2.109 1.00 3.54 H new ATOM 0 HH22 ARG A 45 12.345 -15.388 3.185 1.00 3.54 H new ATOM 656 N ALA A 46 9.241 -7.123 2.139 1.00 0.51 N ATOM 657 CA ALA A 46 8.600 -6.685 3.365 1.00 0.53 C ATOM 658 C ALA A 46 7.597 -5.566 3.110 1.00 0.44 C ATOM 659 O ALA A 46 6.655 -5.397 3.878 1.00 0.53 O ATOM 660 CB ALA A 46 9.645 -6.255 4.383 1.00 0.64 C ATOM 0 H ALA A 46 10.218 -6.844 2.052 1.00 0.51 H new ATOM 0 HA ALA A 46 8.044 -7.530 3.770 1.00 0.53 H new ATOM 0 HB1 ALA A 46 9.150 -5.929 5.298 1.00 0.64 H new ATOM 0 HB2 ALA A 46 10.303 -7.095 4.606 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.233 -5.432 3.976 1.00 0.64 H new ATOM 666 N VAL A 47 7.781 -4.804 2.033 1.00 0.35 N ATOM 667 CA VAL A 47 6.825 -3.756 1.695 1.00 0.38 C ATOM 668 C VAL A 47 5.482 -4.379 1.326 1.00 0.42 C ATOM 669 O VAL A 47 4.431 -3.787 1.548 1.00 0.50 O ATOM 670 CB VAL A 47 7.325 -2.830 0.553 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.336 -3.530 -0.792 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.485 -1.570 0.475 1.00 0.70 C ATOM 0 H VAL A 47 8.569 -4.891 1.391 1.00 0.35 H new ATOM 0 HA VAL A 47 6.710 -3.127 2.578 1.00 0.38 H new ATOM 0 HB VAL A 47 8.354 -2.561 0.793 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.693 -2.841 -1.558 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.997 -4.396 -0.746 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.326 -3.857 -1.040 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.853 -0.936 -0.332 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.446 -1.837 0.281 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.551 -1.030 1.419 1.00 0.70 H new ATOM 682 N CYS A 48 5.527 -5.597 0.805 1.00 0.44 N ATOM 683 CA CYS A 48 4.316 -6.317 0.453 1.00 0.56 C ATOM 684 C CYS A 48 3.740 -7.004 1.691 1.00 0.59 C ATOM 685 O CYS A 48 2.535 -6.947 1.939 1.00 0.68 O ATOM 686 CB CYS A 48 4.610 -7.340 -0.653 1.00 0.68 C ATOM 687 SG CYS A 48 3.134 -8.174 -1.321 1.00 1.78 S ATOM 0 H CYS A 48 6.391 -6.106 0.617 1.00 0.44 H new ATOM 0 HA CYS A 48 3.577 -5.611 0.075 1.00 0.56 H new ATOM 0 HB2 CYS A 48 5.128 -6.836 -1.469 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.292 -8.094 -0.261 1.00 0.68 H new ATOM 692 N SER A 49 4.614 -7.622 2.483 1.00 0.59 N ATOM 693 CA SER A 49 4.197 -8.296 3.710 1.00 0.73 C ATOM 694 C SER A 49 3.674 -7.294 4.742 1.00 0.73 C ATOM 695 O SER A 49 2.894 -7.646 5.627 1.00 0.96 O ATOM 696 CB SER A 49 5.365 -9.097 4.291 1.00 0.84 C ATOM 697 OG SER A 49 5.844 -10.047 3.355 1.00 1.41 O ATOM 0 H SER A 49 5.616 -7.670 2.297 1.00 0.59 H new ATOM 0 HA SER A 49 3.383 -8.978 3.464 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.171 -8.419 4.572 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.045 -9.606 5.200 1.00 0.84 H new ATOM 0 HG SER A 49 6.173 -10.838 3.831 1.00 1.41 H new ATOM 703 N CYS A 50 4.103 -6.050 4.629 1.00 0.57 N ATOM 704 CA CYS A 50 3.595 -4.997 5.491 1.00 0.60 C ATOM 705 C CYS A 50 2.352 -4.367 4.863 1.00 0.55 C ATOM 706 O CYS A 50 1.433 -3.956 5.571 1.00 0.59 O ATOM 707 CB CYS A 50 4.678 -3.946 5.742 1.00 0.63 C ATOM 708 SG CYS A 50 4.172 -2.589 6.845 1.00 1.11 S ATOM 0 H CYS A 50 4.800 -5.744 3.951 1.00 0.57 H new ATOM 0 HA CYS A 50 3.315 -5.426 6.453 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.552 -4.438 6.169 1.00 0.63 H new ATOM 0 HB3 CYS A 50 4.986 -3.524 4.785 1.00 0.63 H new ATOM 713 N LEU A 51 2.318 -4.323 3.529 1.00 0.51 N ATOM 714 CA LEU A 51 1.154 -3.832 2.792 1.00 0.55 C ATOM 715 C LEU A 51 -0.095 -4.605 3.222 1.00 0.63 C ATOM 716 O LEU A 51 -1.106 -4.017 3.613 1.00 0.63 O ATOM 717 CB LEU A 51 1.400 -3.999 1.277 1.00 0.66 C ATOM 718 CG LEU A 51 0.465 -3.235 0.322 1.00 0.77 C ATOM 719 CD1 LEU A 51 -0.940 -3.822 0.309 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.424 -1.760 0.678 1.00 1.33 C ATOM 0 H LEU A 51 3.090 -4.624 2.935 1.00 0.51 H new ATOM 0 HA LEU A 51 0.999 -2.775 3.011 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.424 -3.690 1.065 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.331 -5.060 1.039 1.00 0.66 H new ATOM 0 HG LEU A 51 0.872 -3.342 -0.684 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -1.566 -3.252 -0.378 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.897 -4.861 -0.016 1.00 1.33 H new ATOM 0 HD13 LEU A 51 -1.364 -3.773 1.312 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.242 -1.238 -0.009 1.00 1.33 H new ATOM 0 HD22 LEU A 51 0.058 -1.642 1.698 1.00 1.33 H new ATOM 0 HD23 LEU A 51 1.426 -1.339 0.601 1.00 1.33 H new ATOM 732 N LYS A 52 0.000 -5.932 3.169 1.00 0.80 N ATOM 733 CA LYS A 52 -1.109 -6.802 3.545 1.00 0.99 C ATOM 734 C LYS A 52 -1.517 -6.584 5.000 1.00 0.92 C ATOM 735 O LYS A 52 -2.701 -6.653 5.336 1.00 1.02 O ATOM 736 CB LYS A 52 -0.740 -8.272 3.329 1.00 1.32 C ATOM 737 CG LYS A 52 0.581 -8.671 3.963 1.00 1.40 C ATOM 738 CD LYS A 52 0.679 -10.172 4.167 1.00 1.78 C ATOM 739 CE LYS A 52 -0.250 -10.638 5.280 1.00 1.79 C ATOM 740 NZ LYS A 52 -0.163 -12.104 5.503 1.00 2.30 N ATOM 0 H LYS A 52 0.838 -6.429 2.868 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.955 -6.547 2.906 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.532 -8.900 3.737 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.694 -8.472 2.259 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.403 -8.336 3.331 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.691 -8.166 4.923 1.00 1.40 H new ATOM 0 HD2 LYS A 52 0.425 -10.685 3.239 1.00 1.78 H new ATOM 0 HD3 LYS A 52 1.707 -10.442 4.410 1.00 1.78 H new ATOM 0 HE2 LYS A 52 0.001 -10.116 6.203 1.00 1.79 H new ATOM 0 HE3 LYS A 52 -1.277 -10.370 5.031 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 -0.811 -12.378 6.269 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -0.427 -12.604 4.630 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 0.811 -12.358 5.766 1.00 2.30 H new ATOM 754 N ALA A 53 -0.539 -6.314 5.860 1.00 0.88 N ATOM 755 CA ALA A 53 -0.807 -6.101 7.274 1.00 0.95 C ATOM 756 C ALA A 53 -1.507 -4.774 7.494 1.00 0.91 C ATOM 757 O ALA A 53 -2.365 -4.659 8.359 1.00 1.10 O ATOM 758 CB ALA A 53 0.471 -6.149 8.088 1.00 1.06 C ATOM 0 H ALA A 53 0.444 -6.238 5.600 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.461 -6.906 7.609 1.00 0.95 H new ATOM 0 HB1 ALA A 53 0.238 -5.986 9.140 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.943 -7.124 7.967 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.152 -5.371 7.743 1.00 1.06 H new ATOM 764 N ALA A 54 -1.137 -3.777 6.703 1.00 0.79 N ATOM 765 CA ALA A 54 -1.742 -2.459 6.802 1.00 0.87 C ATOM 766 C ALA A 54 -3.212 -2.506 6.400 1.00 0.94 C ATOM 767 O ALA A 54 -4.046 -1.802 6.971 1.00 1.16 O ATOM 768 CB ALA A 54 -0.983 -1.465 5.941 1.00 0.89 C ATOM 0 H ALA A 54 -0.418 -3.858 5.984 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.687 -2.132 7.840 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -1.447 -0.482 6.025 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.052 -1.407 6.278 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -1.008 -1.791 4.901 1.00 0.89 H new ATOM 774 N ALA A 55 -3.523 -3.358 5.432 1.00 0.88 N ATOM 775 CA ALA A 55 -4.899 -3.549 4.990 1.00 0.97 C ATOM 776 C ALA A 55 -5.728 -4.223 6.081 1.00 0.96 C ATOM 777 O ALA A 55 -6.958 -4.161 6.072 1.00 1.07 O ATOM 778 CB ALA A 55 -4.934 -4.372 3.711 1.00 1.11 C ATOM 0 H ALA A 55 -2.839 -3.930 4.936 1.00 0.88 H new ATOM 0 HA ALA A 55 -5.334 -2.570 4.787 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.968 -4.506 3.393 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -4.378 -3.854 2.929 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -4.481 -5.346 3.893 1.00 1.11 H new ATOM 784 N GLY A 56 -5.045 -4.872 7.015 1.00 0.96 N ATOM 785 CA GLY A 56 -5.719 -5.498 8.135 1.00 1.05 C ATOM 786 C GLY A 56 -5.496 -4.739 9.429 1.00 0.99 C ATOM 787 O GLY A 56 -6.029 -5.103 10.478 1.00 1.08 O ATOM 0 H GLY A 56 -4.030 -4.976 7.016 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.788 -5.556 7.928 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -5.360 -6.521 8.248 1.00 1.05 H new ATOM 791 N ALA A 57 -4.701 -3.678 9.350 1.00 0.98 N ATOM 792 CA ALA A 57 -4.377 -2.868 10.514 1.00 1.11 C ATOM 793 C ALA A 57 -5.536 -1.934 10.838 1.00 1.10 C ATOM 794 O ALA A 57 -5.927 -1.776 11.996 1.00 1.53 O ATOM 795 CB ALA A 57 -3.106 -2.068 10.264 1.00 1.34 C ATOM 0 H ALA A 57 -4.267 -3.359 8.484 1.00 0.98 H new ATOM 0 HA ALA A 57 -4.208 -3.527 11.366 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -2.876 -1.467 11.143 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.280 -2.750 10.065 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.251 -1.413 9.405 1.00 1.34 H new ATOM 801 N VAL A 58 -6.080 -1.323 9.795 1.00 0.89 N ATOM 802 CA VAL A 58 -7.210 -0.421 9.934 1.00 1.10 C ATOM 803 C VAL A 58 -8.516 -1.209 10.045 1.00 1.08 C ATOM 804 O VAL A 58 -8.828 -2.049 9.197 1.00 1.78 O ATOM 805 CB VAL A 58 -7.269 0.579 8.755 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.234 -0.144 7.424 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.499 1.468 8.851 1.00 2.36 C ATOM 0 H VAL A 58 -5.752 -1.438 8.836 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.077 0.152 10.852 1.00 1.10 H new ATOM 0 HB VAL A 58 -6.386 1.215 8.818 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.277 0.584 6.613 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -6.312 -0.720 7.347 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -8.089 -0.817 7.353 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -8.514 2.161 8.009 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -9.397 0.850 8.829 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -8.469 2.031 9.784 1.00 2.36 H new ATOM 817 N ARG A 59 -9.265 -0.941 11.106 1.00 0.92 N ATOM 818 CA ARG A 59 -10.506 -1.657 11.375 1.00 1.16 C ATOM 819 C ARG A 59 -11.635 -1.103 10.527 1.00 1.18 C ATOM 820 O ARG A 59 -12.673 -1.735 10.339 1.00 1.83 O ATOM 821 CB ARG A 59 -10.851 -1.567 12.865 1.00 1.63 C ATOM 822 CG ARG A 59 -12.075 -2.371 13.276 1.00 2.16 C ATOM 823 CD ARG A 59 -11.897 -3.853 12.990 1.00 2.64 C ATOM 824 NE ARG A 59 -10.717 -4.399 13.662 1.00 3.01 N ATOM 825 CZ ARG A 59 -10.740 -5.443 14.485 1.00 3.85 C ATOM 826 NH1 ARG A 59 -11.891 -6.030 14.794 1.00 4.30 N ATOM 827 NH2 ARG A 59 -9.609 -5.881 15.025 1.00 4.65 N ATOM 0 H ARG A 59 -9.033 -0.229 11.799 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.370 -2.706 11.113 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -9.994 -1.910 13.445 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -11.014 -0.521 13.125 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -12.265 -2.226 14.339 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -12.950 -2.000 12.742 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -12.784 -4.395 13.316 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -11.807 -4.007 11.915 1.00 2.64 H new ATOM 0 HE ARG A 59 -9.818 -3.949 13.488 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -12.764 -5.680 14.399 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -11.902 -6.831 15.426 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -8.727 -5.417 14.808 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -9.622 -6.682 15.657 1.00 4.65 H new ATOM 841 N GLY A 60 -11.394 0.066 9.991 1.00 1.26 N ATOM 842 CA GLY A 60 -12.377 0.729 9.168 1.00 1.50 C ATOM 843 C GLY A 60 -11.973 0.744 7.713 1.00 1.68 C ATOM 844 O GLY A 60 -12.343 1.652 6.972 1.00 2.01 O ATOM 0 H GLY A 60 -10.522 0.582 10.110 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -13.338 0.226 9.273 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -12.513 1.752 9.518 1.00 1.50 H new ATOM 848 N ILE A 61 -11.196 -0.257 7.308 1.00 1.67 N ATOM 849 CA ILE A 61 -10.725 -0.354 5.934 1.00 1.93 C ATOM 850 C ILE A 61 -11.887 -0.431 4.950 1.00 1.67 C ATOM 851 O ILE A 61 -12.920 -1.054 5.219 1.00 2.21 O ATOM 852 CB ILE A 61 -9.813 -1.593 5.717 1.00 2.53 C ATOM 853 CG1 ILE A 61 -9.140 -1.548 4.338 1.00 3.45 C ATOM 854 CG2 ILE A 61 -10.617 -2.882 5.842 1.00 2.78 C ATOM 855 CD1 ILE A 61 -8.244 -0.347 4.125 1.00 3.54 C ATOM 0 H ILE A 61 -10.880 -1.013 7.915 1.00 1.67 H new ATOM 0 HA ILE A 61 -10.147 0.552 5.750 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.043 -1.572 6.488 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -8.551 -2.455 4.204 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -9.912 -1.552 3.569 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -9.960 -3.737 5.687 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -11.059 -2.940 6.837 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -11.408 -2.892 5.092 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -7.808 -0.391 3.127 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -8.830 0.567 4.225 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -7.448 -0.350 4.869 1.00 3.54 H new ATOM 867 N ASN A 62 -11.721 0.241 3.836 1.00 1.52 N ATOM 868 CA ASN A 62 -12.578 0.035 2.689 1.00 1.54 C ATOM 869 C ASN A 62 -11.770 -0.645 1.597 1.00 1.47 C ATOM 870 O ASN A 62 -10.885 -0.032 1.003 1.00 1.53 O ATOM 871 CB ASN A 62 -13.166 1.356 2.188 1.00 1.94 C ATOM 872 CG ASN A 62 -14.388 1.785 2.975 1.00 2.79 C ATOM 873 OD1 ASN A 62 -14.283 2.448 4.004 1.00 3.22 O ATOM 874 ND2 ASN A 62 -15.559 1.409 2.489 1.00 3.41 N ATOM 0 H ASN A 62 -10.993 0.942 3.697 1.00 1.52 H new ATOM 0 HA ASN A 62 -13.418 -0.598 2.976 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -12.406 2.135 2.251 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.433 1.255 1.136 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -16.419 1.669 2.972 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -15.602 0.859 1.631 1.00 3.41 H new ATOM 881 N PRO A 63 -12.044 -1.933 1.337 1.00 1.67 N ATOM 882 CA PRO A 63 -11.285 -2.722 0.362 1.00 1.87 C ATOM 883 C PRO A 63 -11.396 -2.123 -1.032 1.00 1.64 C ATOM 884 O PRO A 63 -10.492 -2.251 -1.862 1.00 1.59 O ATOM 885 CB PRO A 63 -11.935 -4.109 0.401 1.00 2.43 C ATOM 886 CG PRO A 63 -12.808 -4.126 1.609 1.00 2.38 C ATOM 887 CD PRO A 63 -13.131 -2.702 1.951 1.00 2.01 C ATOM 0 HA PRO A 63 -10.221 -2.750 0.599 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -12.517 -4.292 -0.502 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -11.179 -4.892 0.456 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -13.720 -4.690 1.415 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -12.302 -4.615 2.441 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -14.102 -2.407 1.554 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -13.168 -2.549 3.030 1.00 2.01 H new ATOM 895 N ASN A 64 -12.513 -1.453 -1.261 1.00 1.59 N ATOM 896 CA ASN A 64 -12.741 -0.733 -2.510 1.00 1.51 C ATOM 897 C ASN A 64 -11.783 0.449 -2.628 1.00 1.16 C ATOM 898 O ASN A 64 -11.226 0.712 -3.693 1.00 1.11 O ATOM 899 CB ASN A 64 -14.193 -0.246 -2.590 1.00 1.72 C ATOM 900 CG ASN A 64 -14.437 0.710 -3.747 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.695 0.287 -4.873 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.376 2.006 -3.473 1.00 2.83 N ATOM 0 H ASN A 64 -13.283 -1.391 -0.595 1.00 1.59 H new ATOM 0 HA ASN A 64 -12.555 -1.416 -3.339 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.854 -1.107 -2.692 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.456 0.249 -1.655 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -14.546 2.691 -4.209 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -14.159 2.317 -2.526 1.00 2.83 H new ATOM 909 N ASN A 65 -11.579 1.136 -1.514 1.00 0.99 N ATOM 910 CA ASN A 65 -10.730 2.314 -1.475 1.00 0.74 C ATOM 911 C ASN A 65 -9.265 1.906 -1.480 1.00 0.69 C ATOM 912 O ASN A 65 -8.415 2.631 -1.985 1.00 0.60 O ATOM 913 CB ASN A 65 -11.060 3.160 -0.241 1.00 0.74 C ATOM 914 CG ASN A 65 -12.497 3.668 -0.245 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.391 3.056 -0.835 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.739 4.780 0.426 1.00 1.13 N ATOM 0 H ASN A 65 -11.996 0.893 -0.616 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.917 2.918 -2.363 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.891 2.566 0.657 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.379 4.009 -0.195 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.687 5.155 0.466 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.978 5.263 0.904 1.00 1.13 H new ATOM 923 N ALA A 66 -8.983 0.727 -0.933 1.00 0.93 N ATOM 924 CA ALA A 66 -7.634 0.174 -0.953 1.00 1.07 C ATOM 925 C ALA A 66 -7.203 -0.146 -2.382 1.00 1.02 C ATOM 926 O ALA A 66 -6.104 0.209 -2.804 1.00 1.05 O ATOM 927 CB ALA A 66 -7.560 -1.074 -0.080 1.00 1.43 C ATOM 0 H ALA A 66 -9.673 0.136 -0.470 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.950 0.921 -0.550 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.547 -1.476 -0.105 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.823 -0.817 0.946 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.257 -1.823 -0.456 1.00 1.43 H new ATOM 933 N GLU A 67 -8.088 -0.795 -3.132 1.00 1.07 N ATOM 934 CA GLU A 67 -7.811 -1.140 -4.524 1.00 1.12 C ATOM 935 C GLU A 67 -7.888 0.110 -5.411 1.00 0.94 C ATOM 936 O GLU A 67 -7.464 0.103 -6.567 1.00 1.00 O ATOM 937 CB GLU A 67 -8.807 -2.207 -4.998 1.00 1.50 C ATOM 938 CG GLU A 67 -8.624 -2.654 -6.445 1.00 1.80 C ATOM 939 CD GLU A 67 -7.295 -3.338 -6.710 1.00 2.05 C ATOM 940 OE1 GLU A 67 -6.284 -2.627 -6.908 1.00 2.41 O ATOM 941 OE2 GLU A 67 -7.245 -4.583 -6.689 1.00 2.41 O ATOM 0 H GLU A 67 -9.005 -1.093 -2.799 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.801 -1.544 -4.599 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -8.720 -3.079 -4.349 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -9.818 -1.819 -4.877 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.432 -3.335 -6.710 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.712 -1.786 -7.098 1.00 1.80 H new ATOM 948 N ALA A 68 -8.422 1.189 -4.854 1.00 0.86 N ATOM 949 CA ALA A 68 -8.552 2.440 -5.586 1.00 0.92 C ATOM 950 C ALA A 68 -7.231 3.202 -5.609 1.00 0.89 C ATOM 951 O ALA A 68 -6.953 3.944 -6.551 1.00 1.14 O ATOM 952 CB ALA A 68 -9.649 3.300 -4.972 1.00 1.00 C ATOM 0 H ALA A 68 -8.772 1.222 -3.897 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.824 2.204 -6.615 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.735 4.233 -5.530 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.597 2.764 -5.013 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.401 3.520 -3.934 1.00 1.00 H new ATOM 958 N LEU A 69 -6.412 2.994 -4.581 1.00 0.79 N ATOM 959 CA LEU A 69 -5.161 3.742 -4.413 1.00 1.01 C ATOM 960 C LEU A 69 -4.236 3.606 -5.634 1.00 1.08 C ATOM 961 O LEU A 69 -3.818 4.616 -6.206 1.00 1.37 O ATOM 962 CB LEU A 69 -4.419 3.297 -3.148 1.00 1.16 C ATOM 963 CG LEU A 69 -5.262 3.258 -1.875 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.391 2.913 -0.678 1.00 2.29 C ATOM 965 CD2 LEU A 69 -5.982 4.581 -1.657 1.00 1.96 C ATOM 0 H LEU A 69 -6.591 2.310 -3.846 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.436 4.792 -4.315 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -4.005 2.303 -3.320 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.577 3.969 -2.986 1.00 1.16 H new ATOM 0 HG LEU A 69 -6.019 2.482 -1.988 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -5.004 2.888 0.223 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -3.932 1.936 -0.831 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -3.611 3.667 -0.566 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -6.575 4.526 -0.744 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -5.250 5.383 -1.567 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -6.638 4.782 -2.504 1.00 1.96 H new ATOM 977 N PRO A 70 -3.904 2.365 -6.067 1.00 0.88 N ATOM 978 CA PRO A 70 -3.024 2.152 -7.220 1.00 0.91 C ATOM 979 C PRO A 70 -3.588 2.743 -8.508 1.00 1.02 C ATOM 980 O PRO A 70 -2.841 3.015 -9.453 1.00 1.20 O ATOM 981 CB PRO A 70 -2.918 0.626 -7.335 1.00 0.77 C ATOM 982 CG PRO A 70 -4.067 0.088 -6.558 1.00 0.78 C ATOM 983 CD PRO A 70 -4.336 1.083 -5.470 1.00 0.78 C ATOM 0 HA PRO A 70 -2.062 2.645 -7.078 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.964 0.307 -8.376 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.970 0.267 -6.934 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.942 -0.039 -7.195 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.831 -0.891 -6.141 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.390 1.103 -5.195 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.774 0.851 -4.565 1.00 0.78 H new ATOM 991 N GLY A 71 -4.897 2.947 -8.540 1.00 1.06 N ATOM 992 CA GLY A 71 -5.534 3.510 -9.711 1.00 1.36 C ATOM 993 C GLY A 71 -5.486 5.024 -9.718 1.00 1.09 C ATOM 994 O GLY A 71 -5.118 5.633 -10.721 1.00 1.18 O ATOM 0 H GLY A 71 -5.531 2.731 -7.771 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.044 3.129 -10.607 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.572 3.181 -9.751 1.00 1.36 H new ATOM 998 N LYS A 72 -5.834 5.631 -8.585 1.00 0.90 N ATOM 999 CA LYS A 72 -5.875 7.088 -8.465 1.00 0.78 C ATOM 1000 C LYS A 72 -4.511 7.710 -8.750 1.00 0.73 C ATOM 1001 O LYS A 72 -4.417 8.775 -9.356 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.343 7.496 -7.061 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.693 6.914 -6.661 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.776 7.233 -7.677 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.978 8.731 -7.837 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.979 9.042 -8.894 1.00 2.61 N ATOM 0 H LYS A 72 -6.093 5.134 -7.733 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.583 7.459 -9.206 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.594 7.181 -6.334 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.399 8.583 -7.010 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.604 5.833 -6.554 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.983 7.308 -5.687 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.510 6.797 -8.640 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.713 6.771 -7.366 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -9.306 9.157 -6.889 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.027 9.202 -8.087 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.090 10.073 -8.974 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -9.654 8.657 -9.804 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -10.893 8.614 -8.643 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.458 7.036 -8.317 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.103 7.547 -8.487 1.00 0.63 C ATOM 1022 C CYS A 73 -1.443 6.961 -9.735 1.00 0.62 C ATOM 1023 O CYS A 73 -0.254 7.173 -9.984 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.295 7.247 -7.223 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.121 7.857 -5.717 1.00 1.65 S ATOM 0 H CYS A 73 -3.513 6.134 -7.845 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.139 8.627 -8.634 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.140 6.171 -7.140 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.310 7.706 -7.306 1.00 0.72 H new ATOM 1030 N GLY A 74 -2.243 6.229 -10.519 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.799 5.712 -11.805 1.00 0.67 C ATOM 1032 C GLY A 74 -0.526 4.894 -11.716 1.00 0.66 C ATOM 1033 O GLY A 74 0.436 5.157 -12.435 1.00 0.96 O ATOM 0 H GLY A 74 -3.203 5.984 -10.278 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.589 5.096 -12.233 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.640 6.546 -12.488 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.510 3.907 -10.835 1.00 0.55 N ATOM 1038 CA VAL A 75 0.675 3.079 -10.656 1.00 0.61 C ATOM 1039 C VAL A 75 0.367 1.600 -10.891 1.00 0.80 C ATOM 1040 O VAL A 75 1.058 0.942 -11.667 1.00 1.70 O ATOM 1041 CB VAL A 75 1.318 3.280 -9.265 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.111 4.578 -9.228 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.267 3.280 -8.165 1.00 0.51 C ATOM 0 H VAL A 75 -1.297 3.659 -10.236 1.00 0.55 H new ATOM 0 HA VAL A 75 1.396 3.403 -11.407 1.00 0.61 H new ATOM 0 HB VAL A 75 1.995 2.444 -9.089 1.00 0.63 H new ATOM 0 HG11 VAL A 75 2.557 4.704 -8.241 1.00 1.09 H new ATOM 0 HG12 VAL A 75 2.899 4.545 -9.981 1.00 1.09 H new ATOM 0 HG13 VAL A 75 1.446 5.417 -9.435 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.751 3.423 -7.199 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -0.442 4.089 -8.339 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.262 2.327 -8.168 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.681 1.108 -10.228 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.141 -0.283 -10.358 1.00 0.90 C ATOM 1055 C ASN A 76 -0.028 -1.296 -10.058 1.00 0.81 C ATOM 1056 O ASN A 76 0.835 -1.564 -10.897 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.717 -0.541 -11.759 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.486 -1.854 -11.851 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -2.227 -2.801 -11.112 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -3.434 -1.919 -12.771 1.00 2.31 N ATOM 0 H ASN A 76 -1.240 1.664 -9.581 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.926 -0.422 -9.615 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -2.378 0.281 -12.032 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -0.904 -0.550 -12.485 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -3.977 -2.775 -12.884 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -3.622 -1.113 -13.367 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.061 -1.871 -8.864 1.00 0.78 N ATOM 1068 CA ILE A 77 0.907 -2.894 -8.496 1.00 0.91 C ATOM 1069 C ILE A 77 0.303 -4.286 -8.646 1.00 0.85 C ATOM 1070 O ILE A 77 -0.874 -4.491 -8.349 1.00 0.82 O ATOM 1071 CB ILE A 77 1.460 -2.738 -7.056 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.345 -2.454 -6.030 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.526 -1.658 -7.015 1.00 1.83 C ATOM 1074 CD1 ILE A 77 -0.036 -0.989 -5.895 1.00 1.17 C ATOM 0 H ILE A 77 -0.742 -1.649 -8.138 1.00 0.78 H new ATOM 0 HA ILE A 77 1.744 -2.764 -9.182 1.00 0.91 H new ATOM 0 HB ILE A 77 1.912 -3.689 -6.773 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -0.542 -3.022 -6.311 1.00 1.12 H new ATOM 0 HG13 ILE A 77 0.664 -2.824 -5.055 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.905 -1.559 -5.998 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.344 -1.929 -7.683 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.095 -0.709 -7.335 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -0.827 -0.886 -5.152 1.00 1.17 H new ATOM 0 HD12 ILE A 77 0.835 -0.414 -5.580 1.00 1.17 H new ATOM 0 HD13 ILE A 77 -0.390 -0.615 -6.856 1.00 1.17 H new ATOM 1086 N PRO A 78 1.108 -5.258 -9.101 1.00 0.96 N ATOM 1087 CA PRO A 78 0.664 -6.644 -9.308 1.00 1.03 C ATOM 1088 C PRO A 78 0.501 -7.415 -7.996 1.00 0.91 C ATOM 1089 O PRO A 78 0.939 -8.560 -7.874 1.00 1.28 O ATOM 1090 CB PRO A 78 1.792 -7.246 -10.146 1.00 1.24 C ATOM 1091 CG PRO A 78 3.001 -6.476 -9.752 1.00 1.35 C ATOM 1092 CD PRO A 78 2.529 -5.078 -9.463 1.00 1.15 C ATOM 0 HA PRO A 78 -0.317 -6.692 -9.781 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.915 -8.309 -9.941 1.00 1.24 H new ATOM 0 HB3 PRO A 78 1.590 -7.148 -11.213 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.475 -6.917 -8.875 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.743 -6.480 -10.551 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.095 -4.624 -8.650 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.642 -4.429 -10.332 1.00 1.15 H new ATOM 1100 N TYR A 79 -0.139 -6.788 -7.022 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.406 -7.433 -5.747 1.00 0.80 C ATOM 1102 C TYR A 79 -1.886 -7.740 -5.621 1.00 0.85 C ATOM 1103 O TYR A 79 -2.669 -7.450 -6.527 1.00 1.07 O ATOM 1104 CB TYR A 79 0.056 -6.564 -4.572 1.00 0.91 C ATOM 1105 CG TYR A 79 1.548 -6.340 -4.533 1.00 0.81 C ATOM 1106 CD1 TYR A 79 2.430 -7.346 -4.906 1.00 0.84 C ATOM 1107 CD2 TYR A 79 2.074 -5.121 -4.124 1.00 0.99 C ATOM 1108 CE1 TYR A 79 3.798 -7.143 -4.873 1.00 0.99 C ATOM 1109 CE2 TYR A 79 3.437 -4.909 -4.087 1.00 1.13 C ATOM 1110 CZ TYR A 79 4.296 -5.922 -4.462 1.00 1.10 C ATOM 1111 OH TYR A 79 5.657 -5.711 -4.427 1.00 1.38 O ATOM 0 H TYR A 79 -0.484 -5.831 -7.091 1.00 0.89 H new ATOM 0 HA TYR A 79 0.159 -8.364 -5.715 1.00 0.80 H new ATOM 0 HB2 TYR A 79 -0.446 -5.598 -4.626 1.00 0.91 H new ATOM 0 HB3 TYR A 79 -0.257 -7.034 -3.639 1.00 0.91 H new ATOM 0 HD1 TYR A 79 2.042 -8.301 -5.227 1.00 0.84 H new ATOM 0 HD2 TYR A 79 1.405 -4.326 -3.830 1.00 0.99 H new ATOM 0 HE1 TYR A 79 4.472 -7.934 -5.167 1.00 0.99 H new ATOM 0 HE2 TYR A 79 3.830 -3.955 -3.766 1.00 1.13 H new ATOM 0 HH TYR A 79 6.110 -6.415 -4.937 1.00 1.38 H new ATOM 1121 N LYS A 80 -2.276 -8.323 -4.500 1.00 0.87 N ATOM 1122 CA LYS A 80 -3.662 -8.725 -4.305 1.00 1.11 C ATOM 1123 C LYS A 80 -4.442 -7.626 -3.631 1.00 1.06 C ATOM 1124 O LYS A 80 -5.670 -7.619 -3.632 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.741 -10.009 -3.475 1.00 1.41 C ATOM 1126 CG LYS A 80 -2.771 -11.079 -3.934 1.00 2.02 C ATOM 1127 CD LYS A 80 -2.836 -11.251 -5.432 1.00 2.55 C ATOM 1128 CE LYS A 80 -3.796 -12.358 -5.848 1.00 3.04 C ATOM 1129 NZ LYS A 80 -5.197 -12.098 -5.411 1.00 3.48 N ATOM 0 H LYS A 80 -1.658 -8.528 -3.715 1.00 0.87 H new ATOM 0 HA LYS A 80 -4.100 -8.916 -5.285 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.541 -9.771 -2.430 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.756 -10.403 -3.524 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -1.757 -10.809 -3.638 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -3.006 -12.024 -3.444 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -3.148 -10.312 -5.890 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -1.840 -11.476 -5.813 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -3.772 -12.466 -6.932 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -3.458 -13.304 -5.426 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -5.847 -12.707 -5.948 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -5.288 -12.305 -4.396 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.435 -11.100 -5.584 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.697 -6.703 -3.056 1.00 1.13 N ATOM 1144 CA ILE A 81 -4.257 -5.596 -2.277 1.00 1.19 C ATOM 1145 C ILE A 81 -4.968 -6.129 -1.021 1.00 1.22 C ATOM 1146 O ILE A 81 -5.477 -5.367 -0.199 1.00 1.37 O ATOM 1147 CB ILE A 81 -5.226 -4.736 -3.139 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -4.545 -4.322 -4.448 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -5.696 -3.496 -2.384 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -3.264 -3.539 -4.253 1.00 2.55 C ATOM 0 H ILE A 81 -2.679 -6.692 -3.111 1.00 1.13 H new ATOM 0 HA ILE A 81 -3.435 -4.953 -1.962 1.00 1.19 H new ATOM 0 HB ILE A 81 -6.101 -5.347 -3.363 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -4.327 -5.217 -5.031 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -5.241 -3.721 -5.034 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -6.371 -2.919 -3.016 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -6.219 -3.799 -1.477 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -4.835 -2.883 -2.119 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -2.842 -3.283 -5.225 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -3.477 -2.625 -3.698 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -2.549 -4.144 -3.695 1.00 2.55 H new ATOM 1162 N SER A 82 -4.979 -7.446 -0.865 1.00 1.31 N ATOM 1163 CA SER A 82 -5.605 -8.065 0.292 1.00 1.50 C ATOM 1164 C SER A 82 -4.548 -8.506 1.301 1.00 1.47 C ATOM 1165 O SER A 82 -3.346 -8.425 1.032 1.00 1.81 O ATOM 1166 CB SER A 82 -6.457 -9.253 -0.154 1.00 1.79 C ATOM 1167 OG SER A 82 -5.750 -10.070 -1.073 1.00 2.45 O ATOM 0 H SER A 82 -4.562 -8.104 -1.524 1.00 1.31 H new ATOM 0 HA SER A 82 -6.251 -7.334 0.779 1.00 1.50 H new ATOM 0 HB2 SER A 82 -6.747 -9.844 0.715 1.00 1.79 H new ATOM 0 HB3 SER A 82 -7.377 -8.893 -0.615 1.00 1.79 H new ATOM 0 HG SER A 82 -6.315 -10.824 -1.342 1.00 2.45 H new ATOM 1173 N THR A 83 -4.992 -8.969 2.458 1.00 1.47 N ATOM 1174 CA THR A 83 -4.081 -9.430 3.489 1.00 1.50 C ATOM 1175 C THR A 83 -3.589 -10.843 3.171 1.00 1.59 C ATOM 1176 O THR A 83 -2.419 -11.158 3.370 1.00 1.72 O ATOM 1177 CB THR A 83 -4.753 -9.395 4.876 1.00 1.65 C ATOM 1178 OG1 THR A 83 -5.271 -8.083 5.120 1.00 2.04 O ATOM 1179 CG2 THR A 83 -3.770 -9.756 5.979 1.00 1.68 C ATOM 0 H THR A 83 -5.979 -9.035 2.706 1.00 1.47 H new ATOM 0 HA THR A 83 -3.224 -8.757 3.511 1.00 1.50 H new ATOM 0 HB THR A 83 -5.559 -10.129 4.881 1.00 1.65 H new ATOM 0 HG1 THR A 83 -4.528 -7.452 5.223 1.00 2.04 H new ATOM 0 HG21 THR A 83 -4.277 -9.722 6.943 1.00 1.68 H new ATOM 0 HG22 THR A 83 -3.384 -10.761 5.808 1.00 1.68 H new ATOM 0 HG23 THR A 83 -2.944 -9.045 5.977 1.00 1.68 H new ATOM 1187 N SER A 84 -4.475 -11.671 2.637 1.00 1.68 N ATOM 1188 CA SER A 84 -4.119 -13.037 2.265 1.00 1.82 C ATOM 1189 C SER A 84 -3.348 -13.069 0.941 1.00 1.55 C ATOM 1190 O SER A 84 -3.746 -13.737 -0.015 1.00 1.77 O ATOM 1191 CB SER A 84 -5.381 -13.894 2.168 1.00 2.22 C ATOM 1192 OG SER A 84 -6.080 -13.895 3.402 1.00 2.76 O ATOM 0 H SER A 84 -5.447 -11.423 2.451 1.00 1.68 H new ATOM 0 HA SER A 84 -3.468 -13.444 3.038 1.00 1.82 H new ATOM 0 HB2 SER A 84 -6.027 -13.511 1.378 1.00 2.22 H new ATOM 0 HB3 SER A 84 -5.114 -14.915 1.894 1.00 2.22 H new ATOM 0 HG SER A 84 -6.886 -14.447 3.321 1.00 2.76 H new ATOM 1198 N THR A 85 -2.247 -12.335 0.898 1.00 1.28 N ATOM 1199 CA THR A 85 -1.395 -12.284 -0.280 1.00 1.11 C ATOM 1200 C THR A 85 -0.168 -13.172 -0.096 1.00 0.96 C ATOM 1201 O THR A 85 0.213 -13.913 -1.005 1.00 1.52 O ATOM 1202 CB THR A 85 -0.951 -10.832 -0.567 1.00 1.30 C ATOM 1203 OG1 THR A 85 -2.103 -9.997 -0.743 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.072 -10.755 -1.810 1.00 0.91 C ATOM 0 H THR A 85 -1.920 -11.760 1.675 1.00 1.28 H new ATOM 0 HA THR A 85 -1.972 -12.652 -1.129 1.00 1.11 H new ATOM 0 HB THR A 85 -0.368 -10.484 0.286 1.00 1.30 H new ATOM 0 HG1 THR A 85 -2.332 -9.572 0.110 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.223 -9.720 -1.984 1.00 0.91 H new ATOM 0 HG22 THR A 85 0.818 -11.366 -1.664 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.628 -11.123 -2.672 1.00 0.91 H new ATOM 1212 N ASN A 86 0.416 -13.109 1.100 1.00 1.23 N ATOM 1213 CA ASN A 86 1.650 -13.831 1.423 1.00 1.36 C ATOM 1214 C ASN A 86 2.805 -13.365 0.539 1.00 1.10 C ATOM 1215 O ASN A 86 2.976 -13.832 -0.592 1.00 1.53 O ATOM 1216 CB ASN A 86 1.464 -15.348 1.298 1.00 1.81 C ATOM 1217 CG ASN A 86 2.714 -16.104 1.713 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.492 -15.629 2.545 1.00 3.05 O ATOM 1219 ND2 ASN A 86 2.914 -17.283 1.152 1.00 2.73 N ATOM 0 H ASN A 86 0.048 -12.556 1.874 1.00 1.23 H new ATOM 0 HA ASN A 86 1.894 -13.605 2.461 1.00 1.36 H new ATOM 0 HB2 ASN A 86 0.625 -15.664 1.918 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.212 -15.600 0.268 1.00 1.81 H new ATOM 0 HD21 ASN A 86 3.735 -17.834 1.403 1.00 2.73 H new ATOM 0 HD22 ASN A 86 2.248 -17.642 0.468 1.00 2.73 H new ATOM 1226 N CYS A 87 3.604 -12.451 1.065 1.00 0.87 N ATOM 1227 CA CYS A 87 4.665 -11.831 0.281 1.00 0.72 C ATOM 1228 C CYS A 87 6.043 -12.231 0.798 1.00 0.83 C ATOM 1229 O CYS A 87 7.055 -11.640 0.424 1.00 1.10 O ATOM 1230 CB CYS A 87 4.517 -10.315 0.320 1.00 0.90 C ATOM 1231 SG CYS A 87 2.832 -9.724 -0.046 1.00 1.71 S ATOM 0 H CYS A 87 3.540 -12.121 2.028 1.00 0.87 H new ATOM 0 HA CYS A 87 4.576 -12.181 -0.747 1.00 0.72 H new ATOM 0 HB2 CYS A 87 4.810 -9.957 1.307 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.209 -9.874 -0.397 1.00 0.90 H new ATOM 1236 N ASN A 88 6.076 -13.257 1.637 1.00 0.91 N ATOM 1237 CA ASN A 88 7.330 -13.724 2.223 1.00 1.09 C ATOM 1238 C ASN A 88 8.111 -14.565 1.221 1.00 1.10 C ATOM 1239 O ASN A 88 9.243 -14.978 1.480 1.00 1.24 O ATOM 1240 CB ASN A 88 7.068 -14.523 3.504 1.00 1.38 C ATOM 1241 CG ASN A 88 6.532 -13.654 4.628 1.00 2.04 C ATOM 1242 OD1 ASN A 88 6.850 -12.465 4.717 1.00 2.76 O ATOM 1243 ND2 ASN A 88 5.719 -14.237 5.498 1.00 2.55 N ATOM 0 H ASN A 88 5.252 -13.783 1.928 1.00 0.91 H new ATOM 0 HA ASN A 88 7.929 -12.851 2.481 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.355 -15.320 3.293 1.00 1.38 H new ATOM 0 HB3 ASN A 88 7.993 -15.000 3.827 1.00 1.38 H new ATOM 0 HD21 ASN A 88 5.333 -13.700 6.275 1.00 2.55 H new ATOM 0 HD22 ASN A 88 5.479 -15.223 5.391 1.00 2.55 H new ATOM 1250 N SER A 89 7.502 -14.822 0.081 1.00 1.12 N ATOM 1251 CA SER A 89 8.171 -15.498 -1.014 1.00 1.29 C ATOM 1252 C SER A 89 7.598 -15.027 -2.345 1.00 1.42 C ATOM 1253 O SER A 89 6.669 -15.623 -2.889 1.00 2.21 O ATOM 1254 CB SER A 89 8.053 -17.017 -0.878 1.00 1.53 C ATOM 1255 OG SER A 89 8.688 -17.473 0.308 1.00 2.11 O ATOM 0 H SER A 89 6.533 -14.570 -0.113 1.00 1.12 H new ATOM 0 HA SER A 89 9.231 -15.246 -0.980 1.00 1.29 H new ATOM 0 HB2 SER A 89 7.002 -17.304 -0.865 1.00 1.53 H new ATOM 0 HB3 SER A 89 8.504 -17.499 -1.745 1.00 1.53 H new ATOM 0 HG SER A 89 9.083 -16.711 0.781 1.00 2.11 H new ATOM 1261 N ILE A 90 8.133 -13.918 -2.829 1.00 1.14 N ATOM 1262 CA ILE A 90 7.696 -13.327 -4.090 1.00 1.35 C ATOM 1263 C ILE A 90 8.898 -12.980 -4.960 1.00 1.76 C ATOM 1264 O ILE A 90 8.892 -13.207 -6.167 1.00 2.17 O ATOM 1265 CB ILE A 90 6.859 -12.042 -3.874 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.673 -10.996 -3.111 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.566 -12.357 -3.138 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.004 -9.641 -3.023 1.00 0.97 C ATOM 0 H ILE A 90 8.879 -13.402 -2.364 1.00 1.14 H new ATOM 0 HA ILE A 90 7.071 -14.071 -4.583 1.00 1.35 H new ATOM 0 HB ILE A 90 6.601 -11.633 -4.851 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.862 -11.363 -2.102 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.643 -10.881 -3.595 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.995 -11.440 -2.998 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.978 -13.065 -3.722 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.797 -12.793 -2.166 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.643 -8.955 -2.467 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.839 -9.251 -4.027 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.047 -9.740 -2.511 1.00 0.97 H new ATOM 1280 N ASN A 91 9.935 -12.443 -4.334 1.00 2.27 N ATOM 1281 CA ASN A 91 11.126 -12.027 -5.047 1.00 2.91 C ATOM 1282 C ASN A 91 12.314 -12.849 -4.580 1.00 3.60 C ATOM 1283 O ASN A 91 12.766 -13.731 -5.337 1.00 4.24 O ATOM 1284 CB ASN A 91 11.395 -10.535 -4.832 1.00 3.41 C ATOM 1285 CG ASN A 91 12.597 -10.035 -5.619 1.00 4.21 C ATOM 1286 OD1 ASN A 91 13.307 -9.128 -5.181 1.00 4.78 O ATOM 1287 ND2 ASN A 91 12.828 -10.604 -6.792 1.00 4.68 N ATOM 1288 OXT ASN A 91 12.756 -12.646 -3.433 1.00 3.95 O ATOM 0 H ASN A 91 9.972 -12.286 -3.327 1.00 2.27 H new ATOM 0 HA ASN A 91 10.971 -12.192 -6.113 1.00 2.91 H new ATOM 0 HB2 ASN A 91 10.513 -9.965 -5.124 1.00 3.41 H new ATOM 0 HB3 ASN A 91 11.558 -10.349 -3.770 1.00 3.41 H new ATOM 0 HD21 ASN A 91 13.614 -10.294 -7.363 1.00 4.68 H new ATOM 0 HD22 ASN A 91 12.220 -11.353 -7.124 1.00 4.68 H new TER 1295 ASN A 91