USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot 130:sc= -2.19 USER MOD Set 1.2: A 21 MET CE :methyl -162:sc= -5.56! (180deg=-7.41!) USER MOD Set 2.1: A 14 ASN : amide:sc= -2.11 K(o=-1.5,f=-8.4!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -132:sc= 0.65 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.741 K(o=-0.74,f=-0.13) USER MOD Single : A 4 SER OG : rot 120:sc= -0.048 USER MOD Single : A 15 THR OG1 : rot 67:sc= -0.0552 USER MOD Single : A 22 MET CE :methyl -169:sc= -4.22! (180deg=-4.55!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 79:sc= 0.88 USER MOD Single : A 28 SER OG : rot 180:sc= -0.377 USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.229 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -145:sc= -8.17! (180deg=-16.7!) USER MOD Single : A 44 GLN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.37! C(o=-4.4!,f=-6.2!) USER MOD Single : A 47 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.51) USER MOD Single : A 51 MET CE :methyl 141:sc= -0.242 (180deg=-1.1) USER MOD Single : A 53 THR OG1 : rot -120:sc= -1.21 USER MOD Single : A 54 THR OG1 : rot 150:sc= -4.3! USER MOD Single : A 56 MET CE :methyl -158:sc= -3.19 (180deg=-4.01!) USER MOD Single : A 59 MET CE :methyl 172:sc= -5.25! (180deg=-5.79!) USER MOD Single : A 63 TYR OH : rot 141:sc= -0.645 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.170 0.545 -4.926 1.00 75.35 N ATOM 33 CA GLN A 2 -1.809 1.630 -5.651 1.00 52.21 C ATOM 34 C GLN A 2 -2.507 1.095 -6.903 1.00 65.42 C ATOM 35 O GLN A 2 -1.916 0.335 -7.669 1.00 75.45 O ATOM 36 CB GLN A 2 -0.797 2.720 -6.011 1.00 30.41 C ATOM 37 CG GLN A 2 0.315 2.162 -6.901 1.00 44.12 C ATOM 38 CD GLN A 2 0.450 2.980 -8.187 1.00 43.21 C ATOM 39 OE1 GLN A 2 1.532 3.368 -8.596 1.00 64.33 O ATOM 40 NE2 GLN A 2 -0.706 3.220 -8.799 1.00 42.24 N ATOM 0 HA GLN A 2 -2.562 2.079 -5.003 1.00 52.21 H new ATOM 0 HB2 GLN A 2 -1.304 3.537 -6.525 1.00 30.41 H new ATOM 0 HB3 GLN A 2 -0.365 3.136 -5.101 1.00 30.41 H new ATOM 0 HG2 GLN A 2 1.260 2.173 -6.358 1.00 44.12 H new ATOM 0 HG3 GLN A 2 0.101 1.122 -7.148 1.00 44.12 H new ATOM 0 HE21 GLN A 2 -1.576 2.866 -8.402 1.00 42.24 H new ATOM 0 HE22 GLN A 2 -0.722 3.758 -9.665 1.00 42.24 H new ATOM 49 N GLU A 3 -3.753 1.512 -7.072 1.00 45.12 N ATOM 50 CA GLU A 3 -4.536 1.084 -8.218 1.00 74.12 C ATOM 51 C GLU A 3 -3.869 1.538 -9.518 1.00 24.03 C ATOM 52 O GLU A 3 -3.421 2.679 -9.624 1.00 70.30 O ATOM 53 CB GLU A 3 -5.971 1.607 -8.127 1.00 73.13 C ATOM 54 CG GLU A 3 -6.886 0.583 -7.452 1.00 13.30 C ATOM 55 CD GLU A 3 -8.348 1.034 -7.507 1.00 65.40 C ATOM 56 OE1 GLU A 3 -9.191 0.331 -8.083 1.00 15.00 O ATOM 57 OE2 GLU A 3 -8.594 2.157 -6.923 1.00 12.10 O ATOM 0 H GLU A 3 -4.240 2.142 -6.434 1.00 45.12 H new ATOM 0 HA GLU A 3 -4.579 -0.005 -8.217 1.00 74.12 H new ATOM 0 HB2 GLU A 3 -5.987 2.541 -7.564 1.00 73.13 H new ATOM 0 HB3 GLU A 3 -6.344 1.831 -9.126 1.00 73.13 H new ATOM 0 HG2 GLU A 3 -6.781 -0.384 -7.944 1.00 13.30 H new ATOM 0 HG3 GLU A 3 -6.582 0.447 -6.414 1.00 13.30 H new ATOM 65 N SER A 4 -3.823 0.622 -10.474 1.00 23.34 N ATOM 66 CA SER A 4 -3.217 0.914 -11.762 1.00 30.33 C ATOM 67 C SER A 4 -4.240 0.705 -12.880 1.00 41.12 C ATOM 68 O SER A 4 -5.072 -0.197 -12.805 1.00 32.52 O ATOM 69 CB SER A 4 -1.984 0.041 -12.001 1.00 25.21 C ATOM 70 OG SER A 4 -1.395 -0.398 -10.779 1.00 42.44 O ATOM 0 H SER A 4 -4.196 -0.323 -10.382 1.00 23.34 H new ATOM 0 HA SER A 4 -2.896 1.956 -11.761 1.00 30.33 H new ATOM 0 HB2 SER A 4 -2.264 -0.825 -12.600 1.00 25.21 H new ATOM 0 HB3 SER A 4 -1.248 0.603 -12.577 1.00 25.21 H new ATOM 0 HG SER A 4 -1.400 -1.377 -10.747 1.00 42.44 H new ATOM 76 N VAL A 5 -4.144 1.555 -13.892 1.00 71.22 N ATOM 77 CA VAL A 5 -5.051 1.475 -15.025 1.00 23.01 C ATOM 78 C VAL A 5 -5.006 0.062 -15.610 1.00 30.13 C ATOM 79 O VAL A 5 -3.930 -0.505 -15.791 1.00 44.02 O ATOM 80 CB VAL A 5 -4.705 2.557 -16.050 1.00 4.34 C ATOM 81 CG1 VAL A 5 -5.522 2.381 -17.331 1.00 31.13 C ATOM 82 CG2 VAL A 5 -4.904 3.955 -15.460 1.00 32.34 C ATOM 0 H VAL A 5 -3.452 2.302 -13.951 1.00 71.22 H new ATOM 0 HA VAL A 5 -6.076 1.663 -14.707 1.00 23.01 H new ATOM 0 HB VAL A 5 -3.651 2.449 -16.308 1.00 4.34 H new ATOM 0 HG11 VAL A 5 -5.256 3.163 -18.042 1.00 31.13 H new ATOM 0 HG12 VAL A 5 -5.308 1.405 -17.768 1.00 31.13 H new ATOM 0 HG13 VAL A 5 -6.584 2.449 -17.097 1.00 31.13 H new ATOM 0 HG21 VAL A 5 -4.651 4.705 -16.209 1.00 32.34 H new ATOM 0 HG22 VAL A 5 -5.944 4.078 -15.160 1.00 32.34 H new ATOM 0 HG23 VAL A 5 -4.258 4.078 -14.591 1.00 32.34 H new ATOM 92 N VAL A 6 -6.189 -0.466 -15.889 1.00 23.34 N ATOM 93 CA VAL A 6 -6.298 -1.802 -16.449 1.00 72.41 C ATOM 94 C VAL A 6 -7.369 -1.806 -17.542 1.00 61.11 C ATOM 95 O VAL A 6 -8.515 -1.434 -17.295 1.00 2.24 O ATOM 96 CB VAL A 6 -6.576 -2.816 -15.337 1.00 10.53 C ATOM 97 CG1 VAL A 6 -6.935 -4.184 -15.919 1.00 22.23 C ATOM 98 CG2 VAL A 6 -5.386 -2.921 -14.381 1.00 43.22 C ATOM 0 H VAL A 6 -7.080 0.007 -15.738 1.00 23.34 H new ATOM 0 HA VAL A 6 -5.357 -2.099 -16.913 1.00 72.41 H new ATOM 0 HB VAL A 6 -7.434 -2.460 -14.766 1.00 10.53 H new ATOM 0 HG11 VAL A 6 -7.128 -4.886 -15.107 1.00 22.23 H new ATOM 0 HG12 VAL A 6 -7.827 -4.093 -16.539 1.00 22.23 H new ATOM 0 HG13 VAL A 6 -6.107 -4.550 -16.526 1.00 22.23 H new ATOM 0 HG21 VAL A 6 -5.610 -3.648 -13.600 1.00 43.22 H new ATOM 0 HG22 VAL A 6 -4.503 -3.242 -14.933 1.00 43.22 H new ATOM 0 HG23 VAL A 6 -5.197 -1.948 -13.927 1.00 43.22 H new ATOM 108 N ALA A 7 -6.957 -2.231 -18.728 1.00 14.14 N ATOM 109 CA ALA A 7 -7.867 -2.288 -19.859 1.00 40.13 C ATOM 110 C ALA A 7 -9.137 -3.036 -19.450 1.00 32.01 C ATOM 111 O ALA A 7 -9.160 -4.266 -19.434 1.00 42.21 O ATOM 112 CB ALA A 7 -7.162 -2.943 -21.049 1.00 30.24 C ATOM 0 H ALA A 7 -6.006 -2.539 -18.930 1.00 14.14 H new ATOM 0 HA ALA A 7 -8.161 -1.284 -20.166 1.00 40.13 H new ATOM 0 HB1 ALA A 7 -7.845 -2.986 -21.898 1.00 30.24 H new ATOM 0 HB2 ALA A 7 -6.284 -2.357 -21.319 1.00 30.24 H new ATOM 0 HB3 ALA A 7 -6.855 -3.953 -20.779 1.00 30.24 H new ATOM 118 N ALA A 8 -10.164 -2.262 -19.129 1.00 23.44 N ATOM 119 CA ALA A 8 -11.435 -2.837 -18.720 1.00 45.52 C ATOM 120 C ALA A 8 -12.022 -3.642 -19.881 1.00 24.43 C ATOM 121 O ALA A 8 -12.957 -4.418 -19.692 1.00 15.12 O ATOM 122 CB ALA A 8 -12.372 -1.722 -18.252 1.00 4.53 C ATOM 0 H ALA A 8 -10.142 -1.242 -19.144 1.00 23.44 H new ATOM 0 HA ALA A 8 -11.296 -3.520 -17.882 1.00 45.52 H new ATOM 0 HB1 ALA A 8 -13.325 -2.153 -17.945 1.00 4.53 H new ATOM 0 HB2 ALA A 8 -11.922 -1.199 -17.408 1.00 4.53 H new ATOM 0 HB3 ALA A 8 -12.537 -1.019 -19.069 1.00 4.53 H new ATOM 128 N VAL A 9 -11.448 -3.431 -21.056 1.00 25.21 N ATOM 129 CA VAL A 9 -11.902 -4.128 -22.247 1.00 72.30 C ATOM 130 C VAL A 9 -10.750 -4.222 -23.249 1.00 24.42 C ATOM 131 O VAL A 9 -9.699 -3.613 -23.051 1.00 75.14 O ATOM 132 CB VAL A 9 -13.138 -3.432 -22.821 1.00 61.31 C ATOM 133 CG1 VAL A 9 -14.309 -3.496 -21.839 1.00 30.23 C ATOM 134 CG2 VAL A 9 -12.823 -1.985 -23.206 1.00 20.33 C ATOM 0 H VAL A 9 -10.672 -2.787 -21.209 1.00 25.21 H new ATOM 0 HA VAL A 9 -12.203 -5.147 -22.002 1.00 72.30 H new ATOM 0 HB VAL A 9 -13.431 -3.963 -23.726 1.00 61.31 H new ATOM 0 HG11 VAL A 9 -15.174 -2.994 -22.272 1.00 30.23 H new ATOM 0 HG12 VAL A 9 -14.557 -4.538 -21.636 1.00 30.23 H new ATOM 0 HG13 VAL A 9 -14.031 -3.002 -20.908 1.00 30.23 H new ATOM 0 HG21 VAL A 9 -13.718 -1.513 -23.611 1.00 20.33 H new ATOM 0 HG22 VAL A 9 -12.492 -1.438 -22.324 1.00 20.33 H new ATOM 0 HG23 VAL A 9 -12.034 -1.972 -23.958 1.00 20.33 H new ATOM 144 N LEU A 10 -10.985 -4.991 -24.302 1.00 43.33 N ATOM 145 CA LEU A 10 -9.979 -5.172 -25.335 1.00 72.54 C ATOM 146 C LEU A 10 -9.690 -3.826 -26.002 1.00 4.14 C ATOM 147 O LEU A 10 -10.492 -3.336 -26.794 1.00 73.25 O ATOM 148 CB LEU A 10 -10.411 -6.264 -26.317 1.00 23.01 C ATOM 149 CG LEU A 10 -9.605 -6.356 -27.614 1.00 61.03 C ATOM 150 CD1 LEU A 10 -8.411 -7.298 -27.452 1.00 64.34 C ATOM 151 CD2 LEU A 10 -10.499 -6.761 -28.788 1.00 15.23 C ATOM 0 H LEU A 10 -11.857 -5.496 -24.462 1.00 43.33 H new ATOM 0 HA LEU A 10 -9.043 -5.519 -24.898 1.00 72.54 H new ATOM 0 HB2 LEU A 10 -10.354 -7.226 -25.808 1.00 23.01 H new ATOM 0 HB3 LEU A 10 -11.458 -6.101 -26.574 1.00 23.01 H new ATOM 0 HG LEU A 10 -9.207 -5.367 -27.839 1.00 61.03 H new ATOM 0 HD11 LEU A 10 -7.855 -7.345 -28.388 1.00 64.34 H new ATOM 0 HD12 LEU A 10 -7.759 -6.926 -26.661 1.00 64.34 H new ATOM 0 HD13 LEU A 10 -8.767 -8.295 -27.191 1.00 64.34 H new ATOM 0 HD21 LEU A 10 -9.901 -6.819 -29.698 1.00 15.23 H new ATOM 0 HD22 LEU A 10 -10.947 -7.734 -28.586 1.00 15.23 H new ATOM 0 HD23 LEU A 10 -11.287 -6.019 -28.918 1.00 15.23 H new ATOM 163 N ILE A 11 -8.540 -3.266 -25.655 1.00 11.50 N ATOM 164 CA ILE A 11 -8.135 -1.985 -26.209 1.00 65.15 C ATOM 165 C ILE A 11 -7.121 -2.218 -27.331 1.00 63.34 C ATOM 166 O ILE A 11 -5.978 -2.593 -27.073 1.00 10.55 O ATOM 167 CB ILE A 11 -7.625 -1.059 -25.103 1.00 72.20 C ATOM 168 CG1 ILE A 11 -8.284 -1.392 -23.763 1.00 34.01 C ATOM 169 CG2 ILE A 11 -7.816 0.410 -25.486 1.00 63.34 C ATOM 170 CD1 ILE A 11 -8.163 -0.221 -22.786 1.00 50.43 C ATOM 0 H ILE A 11 -7.876 -3.676 -24.998 1.00 11.50 H new ATOM 0 HA ILE A 11 -8.990 -1.474 -26.651 1.00 65.15 H new ATOM 0 HB ILE A 11 -6.554 -1.224 -24.986 1.00 72.20 H new ATOM 0 HG12 ILE A 11 -9.336 -1.632 -23.921 1.00 34.01 H new ATOM 0 HG13 ILE A 11 -7.816 -2.278 -23.334 1.00 34.01 H new ATOM 0 HG21 ILE A 11 -7.445 1.047 -24.683 1.00 63.34 H new ATOM 0 HG22 ILE A 11 -7.264 0.622 -26.401 1.00 63.34 H new ATOM 0 HG23 ILE A 11 -8.875 0.609 -25.647 1.00 63.34 H new ATOM 0 HD11 ILE A 11 -8.640 -0.484 -21.842 1.00 50.43 H new ATOM 0 HD12 ILE A 11 -7.110 0.000 -22.612 1.00 50.43 H new ATOM 0 HD13 ILE A 11 -8.653 0.657 -23.207 1.00 50.43 H new ATOM 182 N PRO A 12 -7.588 -1.981 -28.587 1.00 22.35 N ATOM 183 CA PRO A 12 -6.735 -2.161 -29.749 1.00 21.51 C ATOM 184 C PRO A 12 -5.726 -1.018 -29.871 1.00 43.01 C ATOM 185 O PRO A 12 -5.792 -0.044 -29.123 1.00 55.32 O ATOM 186 CB PRO A 12 -7.690 -2.240 -30.929 1.00 44.10 C ATOM 187 CG PRO A 12 -8.999 -1.638 -30.446 1.00 74.52 C ATOM 188 CD PRO A 12 -8.935 -1.537 -28.931 1.00 73.10 C ATOM 0 HA PRO A 12 -6.124 -3.062 -29.687 1.00 21.51 H new ATOM 0 HB2 PRO A 12 -7.299 -1.690 -31.785 1.00 44.10 H new ATOM 0 HB3 PRO A 12 -7.830 -3.272 -31.250 1.00 44.10 H new ATOM 0 HG2 PRO A 12 -9.152 -0.654 -30.888 1.00 74.52 H new ATOM 0 HG3 PRO A 12 -9.841 -2.259 -30.752 1.00 74.52 H new ATOM 0 HD2 PRO A 12 -9.113 -0.516 -28.594 1.00 73.10 H new ATOM 0 HD3 PRO A 12 -9.691 -2.165 -28.460 1.00 73.10 H new ATOM 196 N ILE A 13 -4.814 -1.175 -30.820 1.00 13.51 N ATOM 197 CA ILE A 13 -3.793 -0.167 -31.050 1.00 23.21 C ATOM 198 C ILE A 13 -4.449 1.103 -31.595 1.00 64.15 C ATOM 199 O ILE A 13 -5.525 1.045 -32.187 1.00 72.45 O ATOM 200 CB ILE A 13 -2.686 -0.722 -31.948 1.00 64.23 C ATOM 201 CG1 ILE A 13 -1.581 0.314 -32.161 1.00 5.52 C ATOM 202 CG2 ILE A 13 -3.258 -1.230 -33.273 1.00 43.04 C ATOM 203 CD1 ILE A 13 -0.265 -0.360 -32.555 1.00 3.44 C ATOM 0 H ILE A 13 -4.761 -1.985 -31.438 1.00 13.51 H new ATOM 0 HA ILE A 13 -3.306 0.103 -30.113 1.00 23.21 H new ATOM 0 HB ILE A 13 -2.234 -1.576 -31.444 1.00 64.23 H new ATOM 0 HG12 ILE A 13 -1.881 1.016 -32.939 1.00 5.52 H new ATOM 0 HG13 ILE A 13 -1.439 0.892 -31.248 1.00 5.52 H new ATOM 0 HG21 ILE A 13 -2.450 -1.619 -33.893 1.00 43.04 H new ATOM 0 HG22 ILE A 13 -3.980 -2.023 -33.078 1.00 43.04 H new ATOM 0 HG23 ILE A 13 -3.752 -0.410 -33.794 1.00 43.04 H new ATOM 0 HD11 ILE A 13 0.503 0.399 -32.700 1.00 3.44 H new ATOM 0 HD12 ILE A 13 0.045 -1.043 -31.764 1.00 3.44 H new ATOM 0 HD13 ILE A 13 -0.405 -0.917 -33.482 1.00 3.44 H new ATOM 215 N ASN A 14 -3.772 2.221 -31.377 1.00 20.23 N ATOM 216 CA ASN A 14 -4.276 3.503 -31.839 1.00 65.00 C ATOM 217 C ASN A 14 -5.787 3.566 -31.608 1.00 4.02 C ATOM 218 O ASN A 14 -6.547 3.860 -32.529 1.00 34.44 O ATOM 219 CB ASN A 14 -4.018 3.688 -33.336 1.00 12.53 C ATOM 220 CG ASN A 14 -2.594 3.267 -33.704 1.00 32.44 C ATOM 221 OD1 ASN A 14 -1.689 3.263 -32.885 1.00 72.34 O ATOM 222 ND2 ASN A 14 -2.447 2.913 -34.977 1.00 61.21 N ATOM 0 H ASN A 14 -2.879 2.265 -30.887 1.00 20.23 H new ATOM 0 HA ASN A 14 -3.762 4.288 -31.284 1.00 65.00 H new ATOM 0 HB2 ASN A 14 -4.734 3.098 -33.908 1.00 12.53 H new ATOM 0 HB3 ASN A 14 -4.174 4.732 -33.609 1.00 12.53 H new ATOM 0 HD21 ASN A 14 -1.534 2.615 -35.321 1.00 61.21 H new ATOM 0 HD22 ASN A 14 -3.247 2.940 -35.609 1.00 61.21 H new ATOM 229 N THR A 15 -6.176 3.286 -30.373 1.00 32.41 N ATOM 230 CA THR A 15 -7.583 3.307 -30.009 1.00 22.21 C ATOM 231 C THR A 15 -7.830 4.324 -28.893 1.00 42.34 C ATOM 232 O THR A 15 -7.271 4.204 -27.804 1.00 52.41 O ATOM 233 CB THR A 15 -7.996 1.882 -29.634 1.00 44.01 C ATOM 234 OG1 THR A 15 -7.913 1.163 -30.861 1.00 74.53 O ATOM 235 CG2 THR A 15 -9.472 1.784 -29.243 1.00 25.22 C ATOM 0 H THR A 15 -5.542 3.043 -29.612 1.00 32.41 H new ATOM 0 HA THR A 15 -8.203 3.631 -30.845 1.00 22.21 H new ATOM 0 HB THR A 15 -7.378 1.530 -28.808 1.00 44.01 H new ATOM 0 HG1 THR A 15 -6.977 1.107 -31.145 1.00 74.53 H new ATOM 0 HG21 THR A 15 -9.713 0.752 -28.986 1.00 25.22 H new ATOM 0 HG22 THR A 15 -9.664 2.426 -28.383 1.00 25.22 H new ATOM 0 HG23 THR A 15 -10.092 2.104 -30.080 1.00 25.22 H new ATOM 243 N ALA A 16 -8.667 5.303 -29.204 1.00 11.02 N ATOM 244 CA ALA A 16 -8.995 6.341 -28.241 1.00 61.11 C ATOM 245 C ALA A 16 -9.427 5.692 -26.925 1.00 24.53 C ATOM 246 O ALA A 16 -10.291 4.816 -26.914 1.00 50.52 O ATOM 247 CB ALA A 16 -10.076 7.254 -28.823 1.00 0.01 C ATOM 0 H ALA A 16 -9.128 5.399 -30.109 1.00 11.02 H new ATOM 0 HA ALA A 16 -8.123 6.960 -28.032 1.00 61.11 H new ATOM 0 HB1 ALA A 16 -10.322 8.033 -28.101 1.00 0.01 H new ATOM 0 HB2 ALA A 16 -9.709 7.713 -29.741 1.00 0.01 H new ATOM 0 HB3 ALA A 16 -10.968 6.667 -29.042 1.00 0.01 H new ATOM 253 N LEU A 17 -8.805 6.145 -25.846 1.00 41.13 N ATOM 254 CA LEU A 17 -9.114 5.619 -24.527 1.00 41.25 C ATOM 255 C LEU A 17 -10.318 6.369 -23.954 1.00 22.05 C ATOM 256 O LEU A 17 -10.440 7.580 -24.128 1.00 51.42 O ATOM 257 CB LEU A 17 -7.876 5.664 -23.629 1.00 52.12 C ATOM 258 CG LEU A 17 -6.718 4.751 -24.037 1.00 50.21 C ATOM 259 CD1 LEU A 17 -5.449 5.092 -23.253 1.00 33.31 C ATOM 260 CD2 LEU A 17 -7.104 3.278 -23.891 1.00 63.24 C ATOM 0 H LEU A 17 -8.088 6.871 -25.858 1.00 41.13 H new ATOM 0 HA LEU A 17 -9.394 4.568 -24.591 1.00 41.25 H new ATOM 0 HB2 LEU A 17 -7.510 6.690 -23.599 1.00 52.12 H new ATOM 0 HB3 LEU A 17 -8.178 5.404 -22.614 1.00 52.12 H new ATOM 0 HG LEU A 17 -6.501 4.924 -25.091 1.00 50.21 H new ATOM 0 HD11 LEU A 17 -4.641 4.429 -23.562 1.00 33.31 H new ATOM 0 HD12 LEU A 17 -5.166 6.126 -23.451 1.00 33.31 H new ATOM 0 HD13 LEU A 17 -5.635 4.965 -22.187 1.00 33.31 H new ATOM 0 HD21 LEU A 17 -6.263 2.651 -24.187 1.00 63.24 H new ATOM 0 HD22 LEU A 17 -7.363 3.071 -22.853 1.00 63.24 H new ATOM 0 HD23 LEU A 17 -7.961 3.062 -24.529 1.00 63.24 H new ATOM 272 N THR A 18 -11.176 5.617 -23.280 1.00 55.43 N ATOM 273 CA THR A 18 -12.366 6.196 -22.680 1.00 35.34 C ATOM 274 C THR A 18 -12.475 5.785 -21.210 1.00 10.43 C ATOM 275 O THR A 18 -11.708 4.948 -20.737 1.00 2.32 O ATOM 276 CB THR A 18 -13.573 5.773 -23.519 1.00 73.53 C ATOM 277 OG1 THR A 18 -13.445 4.357 -23.623 1.00 42.23 O ATOM 278 CG2 THR A 18 -13.481 6.262 -24.966 1.00 1.31 C ATOM 0 H THR A 18 -11.071 4.613 -23.136 1.00 55.43 H new ATOM 0 HA THR A 18 -12.318 7.285 -22.679 1.00 35.34 H new ATOM 0 HB THR A 18 -14.485 6.159 -23.063 1.00 73.53 H new ATOM 0 HG1 THR A 18 -14.295 3.933 -23.380 1.00 42.23 H new ATOM 0 HG21 THR A 18 -14.362 5.935 -25.517 1.00 1.31 H new ATOM 0 HG22 THR A 18 -13.428 7.351 -24.980 1.00 1.31 H new ATOM 0 HG23 THR A 18 -12.587 5.850 -25.433 1.00 1.31 H new ATOM 286 N VAL A 19 -13.434 6.394 -20.528 1.00 33.01 N ATOM 287 CA VAL A 19 -13.653 6.102 -19.121 1.00 52.54 C ATOM 288 C VAL A 19 -14.397 4.772 -18.991 1.00 13.05 C ATOM 289 O VAL A 19 -14.456 4.193 -17.907 1.00 2.43 O ATOM 290 CB VAL A 19 -14.388 7.267 -18.454 1.00 32.31 C ATOM 291 CG1 VAL A 19 -15.904 7.086 -18.552 1.00 13.22 C ATOM 292 CG2 VAL A 19 -13.948 7.430 -16.998 1.00 32.04 C ATOM 0 H VAL A 19 -14.068 7.088 -20.923 1.00 33.01 H new ATOM 0 HA VAL A 19 -12.702 5.994 -18.600 1.00 52.54 H new ATOM 0 HB VAL A 19 -14.125 8.180 -18.988 1.00 32.31 H new ATOM 0 HG11 VAL A 19 -16.403 7.927 -18.070 1.00 13.22 H new ATOM 0 HG12 VAL A 19 -16.198 7.042 -19.601 1.00 13.22 H new ATOM 0 HG13 VAL A 19 -16.193 6.160 -18.055 1.00 13.22 H new ATOM 0 HG21 VAL A 19 -14.485 8.264 -16.547 1.00 32.04 H new ATOM 0 HG22 VAL A 19 -14.169 6.516 -16.447 1.00 32.04 H new ATOM 0 HG23 VAL A 19 -12.876 7.626 -16.962 1.00 32.04 H new ATOM 302 N GLY A 20 -14.947 4.326 -20.110 1.00 74.32 N ATOM 303 CA GLY A 20 -15.685 3.074 -20.134 1.00 54.23 C ATOM 304 C GLY A 20 -14.847 1.955 -20.755 1.00 42.11 C ATOM 305 O GLY A 20 -15.361 0.876 -21.043 1.00 75.31 O ATOM 0 H GLY A 20 -14.897 4.809 -21.007 1.00 74.32 H new ATOM 0 HA2 GLY A 20 -15.972 2.798 -19.120 1.00 54.23 H new ATOM 0 HA3 GLY A 20 -16.606 3.202 -20.703 1.00 54.23 H new ATOM 309 N MET A 21 -13.569 2.251 -20.943 1.00 11.11 N ATOM 310 CA MET A 21 -12.654 1.283 -21.524 1.00 53.42 C ATOM 311 C MET A 21 -11.573 0.879 -20.520 1.00 33.52 C ATOM 312 O MET A 21 -11.113 -0.262 -20.524 1.00 61.10 O ATOM 313 CB MET A 21 -11.996 1.885 -22.767 1.00 55.35 C ATOM 314 CG MET A 21 -12.736 1.462 -24.038 1.00 64.54 C ATOM 315 SD MET A 21 -11.563 1.096 -25.333 1.00 61.34 S ATOM 316 CE MET A 21 -10.450 2.478 -25.143 1.00 41.23 C ATOM 0 H MET A 21 -13.146 3.147 -20.703 1.00 11.11 H new ATOM 0 HA MET A 21 -13.221 0.393 -21.797 1.00 53.42 H new ATOM 0 HB2 MET A 21 -11.991 2.972 -22.690 1.00 55.35 H new ATOM 0 HB3 MET A 21 -10.956 1.564 -22.824 1.00 55.35 H new ATOM 0 HG2 MET A 21 -13.352 0.586 -23.836 1.00 64.54 H new ATOM 0 HG3 MET A 21 -13.409 2.257 -24.359 1.00 64.54 H new ATOM 0 HE1 MET A 21 -9.853 2.591 -26.048 1.00 41.23 H new ATOM 0 HE2 MET A 21 -11.025 3.388 -24.972 1.00 41.23 H new ATOM 0 HE3 MET A 21 -9.791 2.300 -24.293 1.00 41.23 H new ATOM 326 N MET A 22 -11.200 1.836 -19.683 1.00 63.42 N ATOM 327 CA MET A 22 -10.182 1.593 -18.675 1.00 44.13 C ATOM 328 C MET A 22 -10.817 1.271 -17.321 1.00 65.40 C ATOM 329 O MET A 22 -12.038 1.299 -17.182 1.00 13.13 O ATOM 330 CB MET A 22 -9.292 2.830 -18.540 1.00 44.24 C ATOM 331 CG MET A 22 -8.445 3.036 -19.798 1.00 53.53 C ATOM 332 SD MET A 22 -7.745 4.678 -19.801 1.00 11.44 S ATOM 333 CE MET A 22 -9.203 5.636 -20.180 1.00 44.43 C ATOM 0 H MET A 22 -11.584 2.781 -19.682 1.00 63.42 H new ATOM 0 HA MET A 22 -9.585 0.737 -18.988 1.00 44.13 H new ATOM 0 HB2 MET A 22 -9.911 3.710 -18.366 1.00 44.24 H new ATOM 0 HB3 MET A 22 -8.641 2.721 -17.673 1.00 44.24 H new ATOM 0 HG2 MET A 22 -7.649 2.292 -19.836 1.00 53.53 H new ATOM 0 HG3 MET A 22 -9.059 2.892 -20.687 1.00 53.53 H new ATOM 0 HE1 MET A 22 -8.914 6.661 -20.413 1.00 44.43 H new ATOM 0 HE2 MET A 22 -9.713 5.199 -21.038 1.00 44.43 H new ATOM 0 HE3 MET A 22 -9.873 5.634 -19.320 1.00 44.43 H new ATOM 343 N THR A 23 -9.958 0.971 -16.357 1.00 51.32 N ATOM 344 CA THR A 23 -10.420 0.644 -15.019 1.00 22.21 C ATOM 345 C THR A 23 -9.253 0.673 -14.030 1.00 42.41 C ATOM 346 O THR A 23 -8.096 0.789 -14.433 1.00 32.24 O ATOM 347 CB THR A 23 -11.129 -0.710 -15.082 1.00 20.44 C ATOM 348 OG1 THR A 23 -12.077 -0.656 -14.019 1.00 3.50 O ATOM 349 CG2 THR A 23 -10.209 -1.872 -14.700 1.00 45.44 C ATOM 0 H THR A 23 -8.945 0.948 -16.476 1.00 51.32 H new ATOM 0 HA THR A 23 -11.132 1.384 -14.655 1.00 22.21 H new ATOM 0 HB THR A 23 -11.517 -0.869 -16.088 1.00 20.44 H new ATOM 0 HG1 THR A 23 -12.583 -1.495 -13.989 1.00 3.50 H new ATOM 0 HG21 THR A 23 -10.762 -2.809 -14.761 1.00 45.44 H new ATOM 0 HG22 THR A 23 -9.361 -1.905 -15.385 1.00 45.44 H new ATOM 0 HG23 THR A 23 -9.847 -1.730 -13.682 1.00 45.44 H new ATOM 357 N THR A 24 -9.597 0.567 -12.755 1.00 45.10 N ATOM 358 CA THR A 24 -8.592 0.580 -11.705 1.00 42.24 C ATOM 359 C THR A 24 -8.516 -0.787 -11.023 1.00 64.01 C ATOM 360 O THR A 24 -9.540 -1.356 -10.649 1.00 21.11 O ATOM 361 CB THR A 24 -8.928 1.721 -10.744 1.00 2.55 C ATOM 362 OG1 THR A 24 -10.112 1.282 -10.084 1.00 1.23 O ATOM 363 CG2 THR A 24 -9.359 2.995 -11.474 1.00 2.12 C ATOM 0 H THR A 24 -10.557 0.472 -12.425 1.00 45.10 H new ATOM 0 HA THR A 24 -7.597 0.761 -12.112 1.00 42.24 H new ATOM 0 HB THR A 24 -8.061 1.936 -10.120 1.00 2.55 H new ATOM 0 HG1 THR A 24 -9.877 0.636 -9.385 1.00 1.23 H new ATOM 0 HG21 THR A 24 -9.586 3.773 -10.745 1.00 2.12 H new ATOM 0 HG22 THR A 24 -8.552 3.332 -12.125 1.00 2.12 H new ATOM 0 HG23 THR A 24 -10.246 2.789 -12.073 1.00 2.12 H new ATOM 371 N ARG A 25 -7.292 -1.275 -10.882 1.00 2.22 N ATOM 372 CA ARG A 25 -7.068 -2.565 -10.251 1.00 55.40 C ATOM 373 C ARG A 25 -5.616 -2.683 -9.784 1.00 14.43 C ATOM 374 O ARG A 25 -4.706 -2.179 -10.441 1.00 33.53 O ATOM 375 CB ARG A 25 -7.382 -3.711 -11.215 1.00 4.30 C ATOM 376 CG ARG A 25 -8.496 -4.602 -10.663 1.00 61.32 C ATOM 377 CD ARG A 25 -9.755 -4.504 -11.527 1.00 10.11 C ATOM 378 NE ARG A 25 -10.318 -5.853 -11.756 1.00 34.22 N ATOM 379 CZ ARG A 25 -11.610 -6.091 -12.070 1.00 4.00 C ATOM 380 NH1 ARG A 25 -12.484 -5.070 -12.195 1.00 45.33 N ATOM 381 NH2 ARG A 25 -12.005 -7.337 -12.253 1.00 22.14 N ATOM 0 H ARG A 25 -6.445 -0.800 -11.194 1.00 2.22 H new ATOM 0 HA ARG A 25 -7.736 -2.635 -9.392 1.00 55.40 H new ATOM 0 HB2 ARG A 25 -7.681 -3.306 -12.182 1.00 4.30 H new ATOM 0 HB3 ARG A 25 -6.484 -4.306 -11.382 1.00 4.30 H new ATOM 0 HG2 ARG A 25 -8.155 -5.637 -10.627 1.00 61.32 H new ATOM 0 HG3 ARG A 25 -8.729 -4.307 -9.640 1.00 61.32 H new ATOM 0 HD2 ARG A 25 -10.494 -3.871 -11.036 1.00 10.11 H new ATOM 0 HD3 ARG A 25 -9.516 -4.034 -12.481 1.00 10.11 H new ATOM 0 HE ARG A 25 -9.691 -6.653 -11.671 1.00 34.22 H new ATOM 0 HH11 ARG A 25 -12.171 -4.110 -12.052 1.00 45.33 H new ATOM 0 HH12 ARG A 25 -13.458 -5.259 -12.432 1.00 45.33 H new ATOM 0 HH21 ARG A 25 -11.338 -8.103 -12.157 1.00 22.14 H new ATOM 0 HH22 ARG A 25 -12.977 -7.534 -12.491 1.00 22.14 H new ATOM 394 N VAL A 26 -5.445 -3.350 -8.652 1.00 63.33 N ATOM 395 CA VAL A 26 -4.119 -3.541 -8.090 1.00 3.25 C ATOM 396 C VAL A 26 -3.409 -4.670 -8.839 1.00 23.12 C ATOM 397 O VAL A 26 -3.395 -5.811 -8.380 1.00 70.44 O ATOM 398 CB VAL A 26 -4.221 -3.794 -6.584 1.00 4.20 C ATOM 399 CG1 VAL A 26 -2.832 -3.899 -5.951 1.00 21.24 C ATOM 400 CG2 VAL A 26 -5.054 -2.708 -5.901 1.00 11.23 C ATOM 0 H VAL A 26 -6.202 -3.765 -8.109 1.00 63.33 H new ATOM 0 HA VAL A 26 -3.518 -2.640 -8.215 1.00 3.25 H new ATOM 0 HB VAL A 26 -4.729 -4.747 -6.438 1.00 4.20 H new ATOM 0 HG11 VAL A 26 -2.933 -4.079 -4.881 1.00 21.24 H new ATOM 0 HG12 VAL A 26 -2.285 -4.724 -6.408 1.00 21.24 H new ATOM 0 HG13 VAL A 26 -2.287 -2.969 -6.113 1.00 21.24 H new ATOM 0 HG21 VAL A 26 -5.111 -2.912 -4.832 1.00 11.23 H new ATOM 0 HG22 VAL A 26 -4.587 -1.736 -6.061 1.00 11.23 H new ATOM 0 HG23 VAL A 26 -6.059 -2.701 -6.323 1.00 11.23 H new ATOM 410 N VAL A 27 -2.836 -4.312 -9.979 1.00 32.42 N ATOM 411 CA VAL A 27 -2.126 -5.281 -10.796 1.00 71.51 C ATOM 412 C VAL A 27 -0.621 -5.033 -10.682 1.00 3.01 C ATOM 413 O VAL A 27 -0.195 -3.937 -10.321 1.00 25.12 O ATOM 414 CB VAL A 27 -2.634 -5.222 -12.238 1.00 71.21 C ATOM 415 CG1 VAL A 27 -4.163 -5.178 -12.279 1.00 42.35 C ATOM 416 CG2 VAL A 27 -2.030 -4.030 -12.984 1.00 33.35 C ATOM 0 H VAL A 27 -2.849 -3.364 -10.356 1.00 32.42 H new ATOM 0 HA VAL A 27 -2.316 -6.293 -10.439 1.00 71.51 H new ATOM 0 HB VAL A 27 -2.312 -6.132 -12.745 1.00 71.21 H new ATOM 0 HG11 VAL A 27 -4.498 -5.136 -13.315 1.00 42.35 H new ATOM 0 HG12 VAL A 27 -4.566 -6.072 -11.803 1.00 42.35 H new ATOM 0 HG13 VAL A 27 -4.516 -4.294 -11.748 1.00 42.35 H new ATOM 0 HG21 VAL A 27 -2.407 -4.011 -14.006 1.00 33.35 H new ATOM 0 HG22 VAL A 27 -2.308 -3.105 -12.478 1.00 33.35 H new ATOM 0 HG23 VAL A 27 -0.944 -4.123 -13.000 1.00 33.35 H new ATOM 426 N SER A 28 0.143 -6.069 -10.996 1.00 42.23 N ATOM 427 CA SER A 28 1.592 -5.977 -10.933 1.00 50.45 C ATOM 428 C SER A 28 2.204 -6.441 -12.257 1.00 13.51 C ATOM 429 O SER A 28 1.787 -7.454 -12.816 1.00 42.21 O ATOM 430 CB SER A 28 2.147 -6.805 -9.773 1.00 73.11 C ATOM 431 OG SER A 28 3.331 -6.232 -9.226 1.00 42.22 O ATOM 0 H SER A 28 -0.214 -6.977 -11.295 1.00 42.23 H new ATOM 0 HA SER A 28 1.861 -4.935 -10.761 1.00 50.45 H new ATOM 0 HB2 SER A 28 1.391 -6.888 -8.993 1.00 73.11 H new ATOM 0 HB3 SER A 28 2.360 -7.816 -10.119 1.00 73.11 H new ATOM 0 HG SER A 28 3.653 -6.789 -8.487 1.00 42.22 H new ATOM 437 N PRO A 29 3.208 -5.656 -12.732 1.00 23.42 N ATOM 438 CA PRO A 29 3.641 -4.474 -12.007 1.00 53.43 C ATOM 439 C PRO A 29 2.631 -3.335 -12.164 1.00 40.33 C ATOM 440 O PRO A 29 1.909 -3.273 -13.158 1.00 42.03 O ATOM 441 CB PRO A 29 5.008 -4.139 -12.581 1.00 52.40 C ATOM 442 CG PRO A 29 5.088 -4.861 -13.916 1.00 53.53 C ATOM 443 CD PRO A 29 3.956 -5.874 -13.966 1.00 65.45 C ATOM 0 HA PRO A 29 3.705 -4.640 -10.932 1.00 53.43 H new ATOM 0 HB2 PRO A 29 5.124 -3.063 -12.711 1.00 52.40 H new ATOM 0 HB3 PRO A 29 5.804 -4.466 -11.912 1.00 52.40 H new ATOM 0 HG2 PRO A 29 5.002 -4.152 -14.739 1.00 53.53 H new ATOM 0 HG3 PRO A 29 6.051 -5.359 -14.023 1.00 53.53 H new ATOM 0 HD2 PRO A 29 3.327 -5.721 -14.843 1.00 65.45 H new ATOM 0 HD3 PRO A 29 4.339 -6.893 -14.022 1.00 65.45 H new ATOM 451 N THR A 30 2.613 -2.461 -11.168 1.00 73.41 N ATOM 452 CA THR A 30 1.704 -1.328 -11.183 1.00 54.01 C ATOM 453 C THR A 30 2.067 -0.368 -12.318 1.00 75.30 C ATOM 454 O THR A 30 3.165 0.185 -12.341 1.00 31.22 O ATOM 455 CB THR A 30 1.740 -0.675 -9.800 1.00 54.31 C ATOM 456 OG1 THR A 30 3.128 -0.605 -9.485 1.00 54.43 O ATOM 457 CG2 THR A 30 1.156 -1.577 -8.711 1.00 14.10 C ATOM 0 H THR A 30 3.214 -2.515 -10.345 1.00 73.41 H new ATOM 0 HA THR A 30 0.680 -1.645 -11.382 1.00 54.01 H new ATOM 0 HB THR A 30 1.188 0.264 -9.828 1.00 54.31 H new ATOM 0 HG1 THR A 30 3.627 -0.300 -10.272 1.00 54.43 H new ATOM 0 HG21 THR A 30 1.206 -1.066 -7.750 1.00 14.10 H new ATOM 0 HG22 THR A 30 0.117 -1.806 -8.947 1.00 14.10 H new ATOM 0 HG23 THR A 30 1.729 -2.503 -8.660 1.00 14.10 H new ATOM 465 N GLY A 31 1.123 -0.200 -13.232 1.00 74.24 N ATOM 466 CA GLY A 31 1.329 0.683 -14.368 1.00 0.15 C ATOM 467 C GLY A 31 0.727 2.065 -14.104 1.00 21.22 C ATOM 468 O GLY A 31 0.664 2.510 -12.959 1.00 4.31 O ATOM 0 H GLY A 31 0.213 -0.660 -13.209 1.00 74.24 H new ATOM 0 HA2 GLY A 31 2.396 0.779 -14.569 1.00 0.15 H new ATOM 0 HA3 GLY A 31 0.874 0.248 -15.258 1.00 0.15 H new ATOM 472 N ILE A 32 0.300 2.705 -15.182 1.00 73.44 N ATOM 473 CA ILE A 32 -0.295 4.027 -15.082 1.00 20.40 C ATOM 474 C ILE A 32 -1.212 4.077 -13.858 1.00 72.25 C ATOM 475 O ILE A 32 -1.895 3.101 -13.549 1.00 42.44 O ATOM 476 CB ILE A 32 -0.994 4.400 -16.391 1.00 11.35 C ATOM 477 CG1 ILE A 32 0.008 4.482 -17.544 1.00 20.32 C ATOM 478 CG2 ILE A 32 -1.794 5.695 -16.234 1.00 74.01 C ATOM 479 CD1 ILE A 32 -0.694 4.316 -18.893 1.00 52.31 C ATOM 0 H ILE A 32 0.354 2.333 -16.130 1.00 73.44 H new ATOM 0 HA ILE A 32 0.476 4.783 -14.934 1.00 20.40 H new ATOM 0 HB ILE A 32 -1.703 3.610 -16.637 1.00 11.35 H new ATOM 0 HG12 ILE A 32 0.524 5.442 -17.514 1.00 20.32 H new ATOM 0 HG13 ILE A 32 0.767 3.708 -17.427 1.00 20.32 H new ATOM 0 HG21 ILE A 32 -2.281 5.938 -17.178 1.00 74.01 H new ATOM 0 HG22 ILE A 32 -2.549 5.564 -15.459 1.00 74.01 H new ATOM 0 HG23 ILE A 32 -1.122 6.506 -15.953 1.00 74.01 H new ATOM 0 HD11 ILE A 32 0.041 4.378 -19.696 1.00 52.31 H new ATOM 0 HD12 ILE A 32 -1.189 3.345 -18.929 1.00 52.31 H new ATOM 0 HD13 ILE A 32 -1.435 5.106 -19.017 1.00 52.31 H new ATOM 491 N PRO A 33 -1.198 5.254 -13.178 1.00 12.04 N ATOM 492 CA PRO A 33 -2.020 5.444 -11.995 1.00 13.32 C ATOM 493 C PRO A 33 -3.490 5.641 -12.374 1.00 5.21 C ATOM 494 O PRO A 33 -3.793 6.147 -13.453 1.00 74.12 O ATOM 495 CB PRO A 33 -1.422 6.651 -11.290 1.00 20.43 C ATOM 496 CG PRO A 33 -0.584 7.371 -12.334 1.00 32.41 C ATOM 497 CD PRO A 33 -0.402 6.431 -13.515 1.00 34.35 C ATOM 0 HA PRO A 33 -2.019 4.574 -11.338 1.00 13.32 H new ATOM 0 HB2 PRO A 33 -2.204 7.302 -10.900 1.00 20.43 H new ATOM 0 HB3 PRO A 33 -0.810 6.344 -10.442 1.00 20.43 H new ATOM 0 HG2 PRO A 33 -1.076 8.291 -12.650 1.00 32.41 H new ATOM 0 HG3 PRO A 33 0.383 7.654 -11.918 1.00 32.41 H new ATOM 0 HD2 PRO A 33 -0.746 6.889 -14.442 1.00 34.35 H new ATOM 0 HD3 PRO A 33 0.647 6.172 -13.657 1.00 34.35 H new ATOM 505 N ALA A 34 -4.362 5.231 -11.465 1.00 51.41 N ATOM 506 CA ALA A 34 -5.792 5.357 -11.691 1.00 31.55 C ATOM 507 C ALA A 34 -6.160 6.838 -11.792 1.00 13.14 C ATOM 508 O ALA A 34 -7.262 7.180 -12.218 1.00 35.24 O ATOM 509 CB ALA A 34 -6.550 4.642 -10.570 1.00 12.43 C ATOM 0 H ALA A 34 -4.106 4.812 -10.571 1.00 51.41 H new ATOM 0 HA ALA A 34 -6.076 4.883 -12.631 1.00 31.55 H new ATOM 0 HB1 ALA A 34 -7.623 4.736 -10.739 1.00 12.43 H new ATOM 0 HB2 ALA A 34 -6.275 3.587 -10.560 1.00 12.43 H new ATOM 0 HB3 ALA A 34 -6.293 5.093 -9.612 1.00 12.43 H new ATOM 515 N GLU A 35 -5.217 7.678 -11.393 1.00 4.14 N ATOM 516 CA GLU A 35 -5.428 9.115 -11.433 1.00 1.11 C ATOM 517 C GLU A 35 -5.182 9.648 -12.846 1.00 3.53 C ATOM 518 O GLU A 35 -5.495 10.801 -13.141 1.00 71.44 O ATOM 519 CB GLU A 35 -4.537 9.829 -10.414 1.00 51.14 C ATOM 520 CG GLU A 35 -3.111 9.985 -10.947 1.00 53.11 C ATOM 521 CD GLU A 35 -2.106 10.096 -9.799 1.00 11.01 C ATOM 522 OE1 GLU A 35 -1.014 9.513 -9.873 1.00 10.45 O ATOM 523 OE2 GLU A 35 -2.493 10.820 -8.804 1.00 30.24 O ATOM 0 H GLU A 35 -4.304 7.391 -11.040 1.00 4.14 H new ATOM 0 HA GLU A 35 -6.465 9.318 -11.164 1.00 1.11 H new ATOM 0 HB2 GLU A 35 -4.953 10.810 -10.186 1.00 51.14 H new ATOM 0 HB3 GLU A 35 -4.521 9.265 -9.481 1.00 51.14 H new ATOM 0 HG2 GLU A 35 -2.858 9.131 -11.575 1.00 53.11 H new ATOM 0 HG3 GLU A 35 -3.049 10.873 -11.576 1.00 53.11 H new ATOM 531 N ASP A 36 -4.623 8.785 -13.681 1.00 23.13 N ATOM 532 CA ASP A 36 -4.331 9.155 -15.055 1.00 61.22 C ATOM 533 C ASP A 36 -5.450 8.643 -15.965 1.00 4.20 C ATOM 534 O ASP A 36 -5.445 8.904 -17.167 1.00 15.41 O ATOM 535 CB ASP A 36 -3.016 8.531 -15.526 1.00 61.42 C ATOM 536 CG ASP A 36 -1.787 9.432 -15.392 1.00 12.35 C ATOM 537 OD1 ASP A 36 -0.975 9.549 -16.322 1.00 34.44 O ATOM 538 OD2 ASP A 36 -1.678 10.040 -14.259 1.00 33.33 O ATOM 0 H ASP A 36 -4.364 7.830 -13.432 1.00 23.13 H new ATOM 0 HA ASP A 36 -4.252 10.241 -15.102 1.00 61.22 H new ATOM 0 HB2 ASP A 36 -2.841 7.617 -14.958 1.00 61.42 H new ATOM 0 HB3 ASP A 36 -3.123 8.241 -16.571 1.00 61.42 H new ATOM 544 N ILE A 37 -6.381 7.924 -15.357 1.00 21.54 N ATOM 545 CA ILE A 37 -7.504 7.373 -16.097 1.00 24.02 C ATOM 546 C ILE A 37 -8.190 8.493 -16.881 1.00 73.11 C ATOM 547 O ILE A 37 -8.452 8.350 -18.074 1.00 75.42 O ATOM 548 CB ILE A 37 -8.444 6.614 -15.158 1.00 64.22 C ATOM 549 CG1 ILE A 37 -8.069 5.132 -15.088 1.00 73.23 C ATOM 550 CG2 ILE A 37 -9.905 6.817 -15.563 1.00 41.51 C ATOM 551 CD1 ILE A 37 -9.213 4.305 -14.499 1.00 35.43 C ATOM 0 H ILE A 37 -6.381 7.710 -14.360 1.00 21.54 H new ATOM 0 HA ILE A 37 -7.158 6.639 -16.825 1.00 24.02 H new ATOM 0 HB ILE A 37 -8.329 7.023 -14.154 1.00 64.22 H new ATOM 0 HG12 ILE A 37 -7.828 4.767 -16.086 1.00 73.23 H new ATOM 0 HG13 ILE A 37 -7.174 5.008 -14.478 1.00 73.23 H new ATOM 0 HG21 ILE A 37 -10.552 6.267 -14.879 1.00 41.51 H new ATOM 0 HG22 ILE A 37 -10.150 7.878 -15.520 1.00 41.51 H new ATOM 0 HG23 ILE A 37 -10.055 6.451 -16.579 1.00 41.51 H new ATOM 0 HD11 ILE A 37 -8.921 3.256 -14.460 1.00 35.43 H new ATOM 0 HD12 ILE A 37 -9.435 4.657 -13.492 1.00 35.43 H new ATOM 0 HD13 ILE A 37 -10.099 4.412 -15.125 1.00 35.43 H new ATOM 563 N PRO A 38 -8.469 9.612 -16.160 1.00 72.11 N ATOM 564 CA PRO A 38 -9.120 10.756 -16.776 1.00 33.34 C ATOM 565 C PRO A 38 -8.144 11.530 -17.664 1.00 75.43 C ATOM 566 O PRO A 38 -8.547 12.436 -18.391 1.00 41.54 O ATOM 567 CB PRO A 38 -9.647 11.581 -15.613 1.00 75.11 C ATOM 568 CG PRO A 38 -8.875 11.117 -14.389 1.00 11.32 C ATOM 569 CD PRO A 38 -8.173 9.817 -14.745 1.00 53.03 C ATOM 0 HA PRO A 38 -9.932 10.469 -17.444 1.00 33.34 H new ATOM 0 HB2 PRO A 38 -9.496 12.646 -15.789 1.00 75.11 H new ATOM 0 HB3 PRO A 38 -10.718 11.429 -15.480 1.00 75.11 H new ATOM 0 HG2 PRO A 38 -8.149 11.872 -14.087 1.00 11.32 H new ATOM 0 HG3 PRO A 38 -9.550 10.968 -13.546 1.00 11.32 H new ATOM 0 HD2 PRO A 38 -7.099 9.886 -14.571 1.00 53.03 H new ATOM 0 HD3 PRO A 38 -8.541 8.989 -14.139 1.00 53.03 H new ATOM 577 N ARG A 39 -6.880 11.143 -17.577 1.00 33.03 N ATOM 578 CA ARG A 39 -5.844 11.789 -18.364 1.00 2.01 C ATOM 579 C ARG A 39 -5.549 10.974 -19.625 1.00 30.23 C ATOM 580 O ARG A 39 -4.932 11.476 -20.563 1.00 14.11 O ATOM 581 CB ARG A 39 -4.555 11.947 -17.554 1.00 53.13 C ATOM 582 CG ARG A 39 -4.833 12.615 -16.206 1.00 54.11 C ATOM 583 CD ARG A 39 -3.537 12.830 -15.423 1.00 23.33 C ATOM 584 NE ARG A 39 -2.605 13.670 -16.207 1.00 65.44 N ATOM 585 CZ ARG A 39 -1.722 13.184 -17.106 1.00 52.15 C ATOM 586 NH1 ARG A 39 -1.645 11.857 -17.342 1.00 45.24 N ATOM 587 NH2 ARG A 39 -0.936 14.026 -17.751 1.00 55.33 N ATOM 0 H ARG A 39 -6.550 10.390 -16.973 1.00 33.03 H new ATOM 0 HA ARG A 39 -6.208 12.778 -18.643 1.00 2.01 H new ATOM 0 HB2 ARG A 39 -4.101 10.969 -17.393 1.00 53.13 H new ATOM 0 HB3 ARG A 39 -3.838 12.543 -18.118 1.00 53.13 H new ATOM 0 HG2 ARG A 39 -5.328 13.573 -16.366 1.00 54.11 H new ATOM 0 HG3 ARG A 39 -5.516 11.996 -15.623 1.00 54.11 H new ATOM 0 HD2 ARG A 39 -3.755 13.308 -14.468 1.00 23.33 H new ATOM 0 HD3 ARG A 39 -3.074 11.869 -15.200 1.00 23.33 H new ATOM 0 HE ARG A 39 -2.631 14.679 -16.059 1.00 65.44 H new ATOM 0 HH11 ARG A 39 -2.256 11.213 -16.840 1.00 45.24 H new ATOM 0 HH12 ARG A 39 -0.975 11.498 -18.023 1.00 45.24 H new ATOM 0 HH21 ARG A 39 -1.001 15.027 -17.567 1.00 55.33 H new ATOM 0 HH22 ARG A 39 -0.264 13.675 -18.433 1.00 55.33 H new ATOM 600 N LEU A 40 -6.004 9.729 -19.606 1.00 5.42 N ATOM 601 CA LEU A 40 -5.796 8.840 -20.736 1.00 33.22 C ATOM 602 C LEU A 40 -6.950 9.004 -21.727 1.00 41.32 C ATOM 603 O LEU A 40 -6.800 8.714 -22.913 1.00 72.11 O ATOM 604 CB LEU A 40 -5.599 7.401 -20.255 1.00 63.45 C ATOM 605 CG LEU A 40 -4.349 7.141 -19.412 1.00 63.42 C ATOM 606 CD1 LEU A 40 -4.510 5.875 -18.569 1.00 31.44 C ATOM 607 CD2 LEU A 40 -3.096 7.089 -20.290 1.00 34.13 C ATOM 0 H LEU A 40 -6.515 9.316 -18.826 1.00 5.42 H new ATOM 0 HA LEU A 40 -4.880 9.104 -21.265 1.00 33.22 H new ATOM 0 HB2 LEU A 40 -6.473 7.111 -19.672 1.00 63.45 H new ATOM 0 HB3 LEU A 40 -5.567 6.748 -21.127 1.00 63.45 H new ATOM 0 HG LEU A 40 -4.224 7.975 -18.721 1.00 63.42 H new ATOM 0 HD11 LEU A 40 -3.608 5.713 -17.979 1.00 31.44 H new ATOM 0 HD12 LEU A 40 -5.364 5.989 -17.901 1.00 31.44 H new ATOM 0 HD13 LEU A 40 -4.673 5.020 -19.225 1.00 31.44 H new ATOM 0 HD21 LEU A 40 -2.222 6.903 -19.666 1.00 34.13 H new ATOM 0 HD22 LEU A 40 -3.197 6.287 -21.021 1.00 34.13 H new ATOM 0 HD23 LEU A 40 -2.976 8.040 -20.809 1.00 34.13 H new ATOM 619 N ILE A 41 -8.075 9.470 -21.205 1.00 31.52 N ATOM 620 CA ILE A 41 -9.254 9.676 -22.029 1.00 43.21 C ATOM 621 C ILE A 41 -8.900 10.605 -23.193 1.00 34.51 C ATOM 622 O ILE A 41 -8.227 11.616 -23.002 1.00 61.03 O ATOM 623 CB ILE A 41 -10.423 10.175 -21.177 1.00 45.33 C ATOM 624 CG1 ILE A 41 -10.654 9.259 -19.974 1.00 10.54 C ATOM 625 CG2 ILE A 41 -11.686 10.340 -22.024 1.00 15.24 C ATOM 626 CD1 ILE A 41 -12.090 9.381 -19.460 1.00 51.42 C ATOM 0 H ILE A 41 -8.195 9.711 -20.221 1.00 31.52 H new ATOM 0 HA ILE A 41 -9.586 8.733 -22.462 1.00 43.21 H new ATOM 0 HB ILE A 41 -10.167 11.160 -20.786 1.00 45.33 H new ATOM 0 HG12 ILE A 41 -10.451 8.226 -20.255 1.00 10.54 H new ATOM 0 HG13 ILE A 41 -9.956 9.516 -19.177 1.00 10.54 H new ATOM 0 HG21 ILE A 41 -12.502 10.696 -21.395 1.00 15.24 H new ATOM 0 HG22 ILE A 41 -11.499 11.062 -22.819 1.00 15.24 H new ATOM 0 HG23 ILE A 41 -11.958 9.380 -22.463 1.00 15.24 H new ATOM 0 HD11 ILE A 41 -12.228 8.720 -18.605 1.00 51.42 H new ATOM 0 HD12 ILE A 41 -12.282 10.410 -19.157 1.00 51.42 H new ATOM 0 HD13 ILE A 41 -12.785 9.100 -20.251 1.00 51.42 H new ATOM 638 N SER A 42 -9.371 10.227 -24.373 1.00 2.44 N ATOM 639 CA SER A 42 -9.113 11.014 -25.567 1.00 70.52 C ATOM 640 C SER A 42 -7.755 10.633 -26.161 1.00 12.21 C ATOM 641 O SER A 42 -7.430 11.028 -27.279 1.00 50.44 O ATOM 642 CB SER A 42 -9.157 12.512 -25.261 1.00 34.24 C ATOM 643 OG SER A 42 -9.570 13.276 -26.390 1.00 74.25 O ATOM 0 H SER A 42 -9.929 9.387 -24.527 1.00 2.44 H new ATOM 0 HA SER A 42 -9.895 10.797 -26.295 1.00 70.52 H new ATOM 0 HB2 SER A 42 -9.841 12.693 -24.432 1.00 34.24 H new ATOM 0 HB3 SER A 42 -8.170 12.845 -24.939 1.00 34.24 H new ATOM 0 HG SER A 42 -9.587 14.227 -26.153 1.00 74.25 H new ATOM 649 N MET A 43 -6.999 9.870 -25.385 1.00 41.44 N ATOM 650 CA MET A 43 -5.684 9.432 -25.820 1.00 44.25 C ATOM 651 C MET A 43 -5.730 7.996 -26.345 1.00 60.33 C ATOM 652 O MET A 43 -6.310 7.117 -25.709 1.00 53.25 O ATOM 653 CB MET A 43 -4.704 9.516 -24.648 1.00 43.35 C ATOM 654 CG MET A 43 -4.940 10.785 -23.826 1.00 33.40 C ATOM 655 SD MET A 43 -3.389 11.401 -23.195 1.00 2.13 S ATOM 656 CE MET A 43 -2.580 9.859 -22.801 1.00 45.55 C ATOM 0 H MET A 43 -7.272 9.544 -24.458 1.00 41.44 H new ATOM 0 HA MET A 43 -5.354 10.084 -26.629 1.00 44.25 H new ATOM 0 HB2 MET A 43 -4.818 8.639 -24.011 1.00 43.35 H new ATOM 0 HB3 MET A 43 -3.681 9.507 -25.023 1.00 43.35 H new ATOM 0 HG2 MET A 43 -5.418 11.545 -24.444 1.00 33.40 H new ATOM 0 HG3 MET A 43 -5.619 10.572 -23.000 1.00 33.40 H new ATOM 0 HE1 MET A 43 -1.968 9.987 -21.908 1.00 45.55 H new ATOM 0 HE2 MET A 43 -3.331 9.090 -22.619 1.00 45.55 H new ATOM 0 HE3 MET A 43 -1.946 9.557 -23.635 1.00 45.55 H new ATOM 666 N GLN A 44 -5.111 7.801 -27.500 1.00 41.45 N ATOM 667 CA GLN A 44 -5.074 6.487 -28.118 1.00 72.40 C ATOM 668 C GLN A 44 -3.835 5.718 -27.656 1.00 61.50 C ATOM 669 O GLN A 44 -2.832 6.320 -27.277 1.00 23.01 O ATOM 670 CB GLN A 44 -5.114 6.596 -29.643 1.00 55.15 C ATOM 671 CG GLN A 44 -6.272 7.487 -30.099 1.00 1.10 C ATOM 672 CD GLN A 44 -6.174 7.791 -31.595 1.00 60.24 C ATOM 673 OE1 GLN A 44 -5.725 8.846 -32.013 1.00 21.41 O ATOM 674 NE2 GLN A 44 -6.618 6.810 -32.377 1.00 1.34 N ATOM 0 H GLN A 44 -4.631 8.532 -28.024 1.00 41.45 H new ATOM 0 HA GLN A 44 -5.959 5.935 -27.803 1.00 72.40 H new ATOM 0 HB2 GLN A 44 -4.171 7.004 -30.007 1.00 55.15 H new ATOM 0 HB3 GLN A 44 -5.221 5.603 -30.079 1.00 55.15 H new ATOM 0 HG2 GLN A 44 -7.221 6.994 -29.886 1.00 1.10 H new ATOM 0 HG3 GLN A 44 -6.263 8.419 -29.534 1.00 1.10 H new ATOM 0 HE21 GLN A 44 -6.981 5.952 -31.962 1.00 1.34 H new ATOM 0 HE22 GLN A 44 -6.595 6.916 -33.391 1.00 1.34 H new ATOM 683 N VAL A 45 -3.945 4.398 -27.703 1.00 1.01 N ATOM 684 CA VAL A 45 -2.846 3.540 -27.294 1.00 4.41 C ATOM 685 C VAL A 45 -1.918 3.304 -28.487 1.00 63.12 C ATOM 686 O VAL A 45 -2.338 3.421 -29.637 1.00 44.34 O ATOM 687 CB VAL A 45 -3.390 2.243 -26.693 1.00 62.43 C ATOM 688 CG1 VAL A 45 -3.986 2.488 -25.306 1.00 1.31 C ATOM 689 CG2 VAL A 45 -4.417 1.596 -27.625 1.00 21.12 C ATOM 0 H VAL A 45 -4.779 3.902 -28.018 1.00 1.01 H new ATOM 0 HA VAL A 45 -2.256 4.021 -26.514 1.00 4.41 H new ATOM 0 HB VAL A 45 -2.556 1.550 -26.581 1.00 62.43 H new ATOM 0 HG11 VAL A 45 -4.365 1.549 -24.902 1.00 1.31 H new ATOM 0 HG12 VAL A 45 -3.216 2.883 -24.644 1.00 1.31 H new ATOM 0 HG13 VAL A 45 -4.802 3.206 -25.382 1.00 1.31 H new ATOM 0 HG21 VAL A 45 -4.788 0.676 -27.174 1.00 21.12 H new ATOM 0 HG22 VAL A 45 -5.248 2.283 -27.784 1.00 21.12 H new ATOM 0 HG23 VAL A 45 -3.947 1.368 -28.582 1.00 21.12 H new ATOM 699 N ASN A 46 -0.674 2.975 -28.172 1.00 65.14 N ATOM 700 CA ASN A 46 0.317 2.721 -29.204 1.00 63.25 C ATOM 701 C ASN A 46 0.606 1.220 -29.270 1.00 31.32 C ATOM 702 O ASN A 46 1.724 0.812 -29.580 1.00 60.24 O ATOM 703 CB ASN A 46 1.631 3.442 -28.896 1.00 60.21 C ATOM 704 CG ASN A 46 2.283 2.877 -27.633 1.00 22.33 C ATOM 705 OD1 ASN A 46 2.400 1.677 -27.447 1.00 34.55 O ATOM 706 ND2 ASN A 46 2.701 3.806 -26.777 1.00 74.25 N ATOM 0 H ASN A 46 -0.330 2.878 -27.217 1.00 65.14 H new ATOM 0 HA ASN A 46 -0.082 3.086 -30.150 1.00 63.25 H new ATOM 0 HB2 ASN A 46 2.313 3.338 -29.740 1.00 60.21 H new ATOM 0 HB3 ASN A 46 1.444 4.508 -28.767 1.00 60.21 H new ATOM 0 HD21 ASN A 46 3.150 3.530 -25.904 1.00 74.25 H new ATOM 0 HD22 ASN A 46 2.572 4.794 -26.994 1.00 74.25 H new ATOM 713 N GLN A 47 -0.422 0.438 -28.972 1.00 41.51 N ATOM 714 CA GLN A 47 -0.293 -1.009 -28.993 1.00 42.32 C ATOM 715 C GLN A 47 -1.632 -1.666 -28.653 1.00 60.15 C ATOM 716 O GLN A 47 -2.478 -1.058 -28.000 1.00 0.22 O ATOM 717 CB GLN A 47 0.805 -1.475 -28.036 1.00 25.14 C ATOM 718 CG GLN A 47 0.637 -2.956 -27.688 1.00 45.41 C ATOM 719 CD GLN A 47 1.823 -3.463 -26.865 1.00 30.52 C ATOM 720 OE1 GLN A 47 2.400 -4.504 -27.136 1.00 11.31 O ATOM 721 NE2 GLN A 47 2.153 -2.673 -25.847 1.00 71.41 N ATOM 0 H GLN A 47 -1.348 0.780 -28.715 1.00 41.51 H new ATOM 0 HA GLN A 47 -0.006 -1.314 -29.999 1.00 42.32 H new ATOM 0 HB2 GLN A 47 1.782 -1.313 -28.491 1.00 25.14 H new ATOM 0 HB3 GLN A 47 0.775 -0.878 -27.125 1.00 25.14 H new ATOM 0 HG2 GLN A 47 -0.287 -3.099 -27.128 1.00 45.41 H new ATOM 0 HG3 GLN A 47 0.548 -3.541 -28.604 1.00 45.41 H new ATOM 0 HE21 GLN A 47 1.628 -1.815 -25.676 1.00 71.41 H new ATOM 0 HE22 GLN A 47 2.931 -2.925 -25.237 1.00 71.41 H new ATOM 730 N VAL A 48 -1.783 -2.900 -29.113 1.00 3.33 N ATOM 731 CA VAL A 48 -3.005 -3.646 -28.866 1.00 24.23 C ATOM 732 C VAL A 48 -3.004 -4.154 -27.422 1.00 42.04 C ATOM 733 O VAL A 48 -2.417 -5.193 -27.127 1.00 25.54 O ATOM 734 CB VAL A 48 -3.149 -4.769 -29.895 1.00 23.45 C ATOM 735 CG1 VAL A 48 -4.044 -5.890 -29.361 1.00 44.12 C ATOM 736 CG2 VAL A 48 -3.679 -4.230 -31.224 1.00 40.14 C ATOM 0 H VAL A 48 -1.079 -3.401 -29.655 1.00 3.33 H new ATOM 0 HA VAL A 48 -3.877 -3.002 -28.983 1.00 24.23 H new ATOM 0 HB VAL A 48 -2.159 -5.188 -30.075 1.00 23.45 H new ATOM 0 HG11 VAL A 48 -4.130 -6.676 -30.112 1.00 44.12 H new ATOM 0 HG12 VAL A 48 -3.607 -6.303 -28.452 1.00 44.12 H new ATOM 0 HG13 VAL A 48 -5.034 -5.491 -29.139 1.00 44.12 H new ATOM 0 HG21 VAL A 48 -3.772 -5.049 -31.938 1.00 40.14 H new ATOM 0 HG22 VAL A 48 -4.656 -3.772 -31.067 1.00 40.14 H new ATOM 0 HG23 VAL A 48 -2.988 -3.484 -31.616 1.00 40.14 H new ATOM 746 N VAL A 49 -3.669 -3.397 -26.562 1.00 43.21 N ATOM 747 CA VAL A 49 -3.752 -3.757 -25.157 1.00 32.11 C ATOM 748 C VAL A 49 -5.043 -4.541 -24.912 1.00 23.52 C ATOM 749 O VAL A 49 -6.139 -4.007 -25.074 1.00 64.15 O ATOM 750 CB VAL A 49 -3.640 -2.503 -24.288 1.00 35.04 C ATOM 751 CG1 VAL A 49 -3.745 -2.855 -22.802 1.00 43.52 C ATOM 752 CG2 VAL A 49 -2.344 -1.745 -24.582 1.00 74.33 C ATOM 0 H VAL A 49 -4.155 -2.536 -26.811 1.00 43.21 H new ATOM 0 HA VAL A 49 -2.920 -4.404 -24.878 1.00 32.11 H new ATOM 0 HB VAL A 49 -4.474 -1.847 -24.537 1.00 35.04 H new ATOM 0 HG11 VAL A 49 -3.662 -1.946 -22.206 1.00 43.52 H new ATOM 0 HG12 VAL A 49 -4.707 -3.330 -22.608 1.00 43.52 H new ATOM 0 HG13 VAL A 49 -2.941 -3.540 -22.533 1.00 43.52 H new ATOM 0 HG21 VAL A 49 -2.290 -0.858 -23.951 1.00 74.33 H new ATOM 0 HG22 VAL A 49 -1.490 -2.390 -24.375 1.00 74.33 H new ATOM 0 HG23 VAL A 49 -2.327 -1.446 -25.630 1.00 74.33 H new ATOM 762 N PRO A 50 -4.866 -5.830 -24.514 1.00 45.12 N ATOM 763 CA PRO A 50 -6.003 -6.693 -24.245 1.00 62.20 C ATOM 764 C PRO A 50 -6.659 -6.335 -22.910 1.00 73.21 C ATOM 765 O PRO A 50 -6.036 -5.705 -22.057 1.00 52.12 O ATOM 766 CB PRO A 50 -5.440 -8.105 -24.270 1.00 41.14 C ATOM 767 CG PRO A 50 -3.938 -7.958 -24.090 1.00 43.13 C ATOM 768 CD PRO A 50 -3.583 -6.497 -24.311 1.00 44.41 C ATOM 0 HA PRO A 50 -6.799 -6.582 -24.982 1.00 62.20 H new ATOM 0 HB2 PRO A 50 -5.871 -8.712 -23.474 1.00 41.14 H new ATOM 0 HB3 PRO A 50 -5.674 -8.602 -25.211 1.00 41.14 H new ATOM 0 HG2 PRO A 50 -3.640 -8.276 -23.091 1.00 43.13 H new ATOM 0 HG3 PRO A 50 -3.405 -8.592 -24.799 1.00 43.13 H new ATOM 0 HD2 PRO A 50 -3.054 -6.084 -23.452 1.00 44.41 H new ATOM 0 HD3 PRO A 50 -2.932 -6.374 -25.176 1.00 44.41 H new ATOM 776 N MET A 51 -7.909 -6.753 -22.771 1.00 1.11 N ATOM 777 CA MET A 51 -8.657 -6.484 -21.554 1.00 64.33 C ATOM 778 C MET A 51 -7.994 -7.148 -20.345 1.00 43.05 C ATOM 779 O MET A 51 -7.863 -8.370 -20.298 1.00 65.12 O ATOM 780 CB MET A 51 -10.085 -7.010 -21.706 1.00 72.52 C ATOM 781 CG MET A 51 -10.889 -6.794 -20.422 1.00 43.22 C ATOM 782 SD MET A 51 -12.567 -7.357 -20.650 1.00 70.10 S ATOM 783 CE MET A 51 -12.277 -9.100 -20.907 1.00 11.44 C ATOM 0 H MET A 51 -8.422 -7.276 -23.481 1.00 1.11 H new ATOM 0 HA MET A 51 -8.673 -5.407 -21.390 1.00 64.33 H new ATOM 0 HB2 MET A 51 -10.576 -6.503 -22.537 1.00 72.52 H new ATOM 0 HB3 MET A 51 -10.061 -8.072 -21.950 1.00 72.52 H new ATOM 0 HG2 MET A 51 -10.424 -7.334 -19.597 1.00 43.22 H new ATOM 0 HG3 MET A 51 -10.885 -5.738 -20.154 1.00 43.22 H new ATOM 0 HE1 MET A 51 -13.055 -9.676 -20.406 1.00 11.44 H new ATOM 0 HE2 MET A 51 -12.294 -9.318 -21.975 1.00 11.44 H new ATOM 0 HE3 MET A 51 -11.304 -9.371 -20.497 1.00 11.44 H new ATOM 793 N GLY A 52 -7.593 -6.313 -19.398 1.00 34.01 N ATOM 794 CA GLY A 52 -6.947 -6.804 -18.192 1.00 53.53 C ATOM 795 C GLY A 52 -5.456 -6.460 -18.190 1.00 54.15 C ATOM 796 O GLY A 52 -4.794 -6.557 -17.158 1.00 75.44 O ATOM 0 H GLY A 52 -7.703 -5.300 -19.441 1.00 34.01 H new ATOM 0 HA2 GLY A 52 -7.426 -6.368 -17.315 1.00 53.53 H new ATOM 0 HA3 GLY A 52 -7.075 -7.884 -18.121 1.00 53.53 H new ATOM 800 N THR A 53 -4.971 -6.065 -19.358 1.00 55.34 N ATOM 801 CA THR A 53 -3.571 -5.706 -19.505 1.00 20.04 C ATOM 802 C THR A 53 -3.313 -4.315 -18.922 1.00 72.01 C ATOM 803 O THR A 53 -3.863 -3.325 -19.402 1.00 74.33 O ATOM 804 CB THR A 53 -3.205 -5.822 -20.986 1.00 14.13 C ATOM 805 OG1 THR A 53 -3.158 -7.226 -21.223 1.00 31.22 O ATOM 806 CG2 THR A 53 -1.780 -5.347 -21.276 1.00 12.10 C ATOM 0 H THR A 53 -5.523 -5.986 -20.212 1.00 55.34 H new ATOM 0 HA THR A 53 -2.928 -6.384 -18.943 1.00 20.04 H new ATOM 0 HB THR A 53 -3.909 -5.240 -21.580 1.00 14.13 H new ATOM 0 HG1 THR A 53 -2.261 -7.476 -21.528 1.00 31.22 H new ATOM 0 HG21 THR A 53 -1.572 -5.451 -22.341 1.00 12.10 H new ATOM 0 HG22 THR A 53 -1.679 -4.301 -20.987 1.00 12.10 H new ATOM 0 HG23 THR A 53 -1.072 -5.951 -20.707 1.00 12.10 H new ATOM 814 N THR A 54 -2.476 -4.284 -17.896 1.00 32.34 N ATOM 815 CA THR A 54 -2.139 -3.031 -17.242 1.00 44.04 C ATOM 816 C THR A 54 -1.727 -1.984 -18.279 1.00 3.43 C ATOM 817 O THR A 54 -1.001 -2.291 -19.223 1.00 72.42 O ATOM 818 CB THR A 54 -1.053 -3.317 -16.203 1.00 11.11 C ATOM 819 OG1 THR A 54 -1.501 -4.502 -15.550 1.00 11.40 O ATOM 820 CG2 THR A 54 -1.018 -2.268 -15.089 1.00 70.32 C ATOM 0 H THR A 54 -2.021 -5.107 -17.501 1.00 32.34 H new ATOM 0 HA THR A 54 -3.001 -2.610 -16.724 1.00 44.04 H new ATOM 0 HB THR A 54 -0.081 -3.357 -16.695 1.00 11.11 H new ATOM 0 HG1 THR A 54 -0.727 -5.019 -15.243 1.00 11.40 H new ATOM 0 HG21 THR A 54 -0.230 -2.518 -14.378 1.00 70.32 H new ATOM 0 HG22 THR A 54 -0.820 -1.286 -15.520 1.00 70.32 H new ATOM 0 HG23 THR A 54 -1.979 -2.252 -14.574 1.00 70.32 H new ATOM 828 N LEU A 55 -2.207 -0.767 -18.067 1.00 75.31 N ATOM 829 CA LEU A 55 -1.898 0.327 -18.971 1.00 53.42 C ATOM 830 C LEU A 55 -0.565 0.958 -18.564 1.00 53.40 C ATOM 831 O LEU A 55 -0.361 1.287 -17.396 1.00 41.25 O ATOM 832 CB LEU A 55 -3.059 1.323 -19.024 1.00 71.30 C ATOM 833 CG LEU A 55 -3.114 2.224 -20.259 1.00 41.30 C ATOM 834 CD1 LEU A 55 -2.741 1.446 -21.523 1.00 13.54 C ATOM 835 CD2 LEU A 55 -4.481 2.900 -20.384 1.00 43.32 C ATOM 0 H LEU A 55 -2.808 -0.515 -17.282 1.00 75.31 H new ATOM 0 HA LEU A 55 -1.779 -0.043 -19.989 1.00 53.42 H new ATOM 0 HB2 LEU A 55 -3.993 0.765 -18.964 1.00 71.30 H new ATOM 0 HB3 LEU A 55 -3.009 1.957 -18.138 1.00 71.30 H new ATOM 0 HG LEU A 55 -2.374 3.015 -20.138 1.00 41.30 H new ATOM 0 HD11 LEU A 55 -2.788 2.110 -22.386 1.00 13.54 H new ATOM 0 HD12 LEU A 55 -1.730 1.052 -21.423 1.00 13.54 H new ATOM 0 HD13 LEU A 55 -3.439 0.621 -21.662 1.00 13.54 H new ATOM 0 HD21 LEU A 55 -4.493 3.535 -21.270 1.00 43.32 H new ATOM 0 HD22 LEU A 55 -5.256 2.139 -20.472 1.00 43.32 H new ATOM 0 HD23 LEU A 55 -4.668 3.508 -19.499 1.00 43.32 H new ATOM 847 N MET A 56 0.307 1.109 -19.550 1.00 23.44 N ATOM 848 CA MET A 56 1.615 1.694 -19.309 1.00 1.34 C ATOM 849 C MET A 56 1.704 3.101 -19.904 1.00 61.11 C ATOM 850 O MET A 56 0.912 3.462 -20.773 1.00 44.14 O ATOM 851 CB MET A 56 2.695 0.807 -19.931 1.00 73.13 C ATOM 852 CG MET A 56 2.920 -0.453 -19.093 1.00 12.15 C ATOM 853 SD MET A 56 4.282 -0.201 -17.966 1.00 75.23 S ATOM 854 CE MET A 56 3.456 -0.495 -16.411 1.00 61.42 C ATOM 0 H MET A 56 0.133 0.836 -20.517 1.00 23.44 H new ATOM 0 HA MET A 56 1.767 1.765 -18.232 1.00 1.34 H new ATOM 0 HB2 MET A 56 2.402 0.527 -20.943 1.00 73.13 H new ATOM 0 HB3 MET A 56 3.627 1.366 -20.012 1.00 73.13 H new ATOM 0 HG2 MET A 56 2.015 -0.695 -18.535 1.00 12.15 H new ATOM 0 HG3 MET A 56 3.129 -1.301 -19.745 1.00 12.15 H new ATOM 0 HE1 MET A 56 4.014 -0.017 -15.606 1.00 61.42 H new ATOM 0 HE2 MET A 56 2.449 -0.080 -16.450 1.00 61.42 H new ATOM 0 HE3 MET A 56 3.400 -1.568 -16.226 1.00 61.42 H new ATOM 864 N PRO A 57 2.701 3.877 -19.399 1.00 74.35 N ATOM 865 CA PRO A 57 2.903 5.236 -19.872 1.00 63.41 C ATOM 866 C PRO A 57 3.552 5.243 -21.258 1.00 1.22 C ATOM 867 O PRO A 57 3.388 6.196 -22.019 1.00 21.43 O ATOM 868 CB PRO A 57 3.765 5.897 -18.809 1.00 50.41 C ATOM 869 CG PRO A 57 4.397 4.763 -18.019 1.00 61.12 C ATOM 870 CD PRO A 57 3.657 3.482 -18.369 1.00 41.34 C ATOM 0 HA PRO A 57 1.968 5.780 -20.003 1.00 63.41 H new ATOM 0 HB2 PRO A 57 4.528 6.529 -19.263 1.00 50.41 H new ATOM 0 HB3 PRO A 57 3.165 6.537 -18.162 1.00 50.41 H new ATOM 0 HG2 PRO A 57 5.455 4.671 -18.263 1.00 61.12 H new ATOM 0 HG3 PRO A 57 4.333 4.961 -16.949 1.00 61.12 H new ATOM 0 HD2 PRO A 57 4.341 2.717 -18.736 1.00 41.34 H new ATOM 0 HD3 PRO A 57 3.151 3.066 -17.498 1.00 41.34 H new ATOM 878 N ASP A 58 4.275 4.170 -21.543 1.00 42.33 N ATOM 879 CA ASP A 58 4.949 4.041 -22.824 1.00 42.31 C ATOM 880 C ASP A 58 4.064 3.243 -23.783 1.00 63.51 C ATOM 881 O ASP A 58 4.507 2.852 -24.862 1.00 71.12 O ATOM 882 CB ASP A 58 6.277 3.296 -22.675 1.00 2.51 C ATOM 883 CG ASP A 58 7.525 4.135 -22.961 1.00 13.01 C ATOM 884 OD1 ASP A 58 7.616 4.811 -23.996 1.00 41.32 O ATOM 885 OD2 ASP A 58 8.441 4.075 -22.055 1.00 63.12 O ATOM 0 H ASP A 58 4.409 3.382 -20.909 1.00 42.33 H new ATOM 0 HA ASP A 58 5.139 5.043 -23.208 1.00 42.31 H new ATOM 0 HB2 ASP A 58 6.345 2.905 -21.660 1.00 2.51 H new ATOM 0 HB3 ASP A 58 6.272 2.438 -23.347 1.00 2.51 H new ATOM 891 N MET A 59 2.830 3.024 -23.355 1.00 32.42 N ATOM 892 CA MET A 59 1.879 2.278 -24.162 1.00 13.41 C ATOM 893 C MET A 59 0.712 3.168 -24.595 1.00 52.03 C ATOM 894 O MET A 59 -0.315 2.671 -25.056 1.00 23.11 O ATOM 895 CB MET A 59 1.345 1.092 -23.357 1.00 32.02 C ATOM 896 CG MET A 59 2.289 -0.108 -23.458 1.00 35.13 C ATOM 897 SD MET A 59 1.388 -1.620 -23.159 1.00 54.14 S ATOM 898 CE MET A 59 0.349 -1.100 -21.804 1.00 42.30 C ATOM 0 H MET A 59 2.466 3.350 -22.460 1.00 32.42 H new ATOM 0 HA MET A 59 2.391 1.920 -25.055 1.00 13.41 H new ATOM 0 HB2 MET A 59 1.228 1.380 -22.312 1.00 32.02 H new ATOM 0 HB3 MET A 59 0.357 0.814 -23.724 1.00 32.02 H new ATOM 0 HG2 MET A 59 2.748 -0.138 -24.446 1.00 35.13 H new ATOM 0 HG3 MET A 59 3.097 -0.007 -22.734 1.00 35.13 H new ATOM 0 HE1 MET A 59 -0.380 -1.880 -21.584 1.00 42.30 H new ATOM 0 HE2 MET A 59 0.964 -0.919 -20.922 1.00 42.30 H new ATOM 0 HE3 MET A 59 -0.173 -0.183 -22.077 1.00 42.30 H new ATOM 908 N VAL A 60 0.908 4.468 -24.432 1.00 42.14 N ATOM 909 CA VAL A 60 -0.115 5.432 -24.801 1.00 70.41 C ATOM 910 C VAL A 60 0.525 6.567 -25.602 1.00 52.15 C ATOM 911 O VAL A 60 1.621 7.020 -25.277 1.00 41.21 O ATOM 912 CB VAL A 60 -0.847 5.922 -23.550 1.00 74.42 C ATOM 913 CG1 VAL A 60 -1.963 6.903 -23.917 1.00 22.50 C ATOM 914 CG2 VAL A 60 -1.396 4.745 -22.740 1.00 40.31 C ATOM 0 H VAL A 60 1.761 4.877 -24.049 1.00 42.14 H new ATOM 0 HA VAL A 60 -0.866 4.967 -25.440 1.00 70.41 H new ATOM 0 HB VAL A 60 -0.127 6.452 -22.926 1.00 74.42 H new ATOM 0 HG11 VAL A 60 -2.467 7.236 -23.010 1.00 22.50 H new ATOM 0 HG12 VAL A 60 -1.536 7.764 -24.432 1.00 22.50 H new ATOM 0 HG13 VAL A 60 -2.681 6.409 -24.571 1.00 22.50 H new ATOM 0 HG21 VAL A 60 -1.912 5.121 -21.856 1.00 40.31 H new ATOM 0 HG22 VAL A 60 -2.095 4.176 -23.353 1.00 40.31 H new ATOM 0 HG23 VAL A 60 -0.573 4.099 -22.433 1.00 40.31 H new ATOM 924 N LYS A 61 -0.187 6.994 -26.635 1.00 13.21 N ATOM 925 CA LYS A 61 0.297 8.068 -27.485 1.00 43.13 C ATOM 926 C LYS A 61 -0.133 9.413 -26.896 1.00 24.01 C ATOM 927 O LYS A 61 -1.167 9.504 -26.237 1.00 75.14 O ATOM 928 CB LYS A 61 -0.160 7.855 -28.930 1.00 2.42 C ATOM 929 CG LYS A 61 0.404 6.551 -29.497 1.00 33.22 C ATOM 930 CD LYS A 61 0.272 6.513 -31.021 1.00 12.03 C ATOM 931 CE LYS A 61 0.252 5.072 -31.534 1.00 21.23 C ATOM 932 NZ LYS A 61 0.485 5.039 -32.995 1.00 33.40 N ATOM 0 H LYS A 61 -1.096 6.615 -26.902 1.00 13.21 H new ATOM 0 HA LYS A 61 1.387 8.067 -27.516 1.00 43.13 H new ATOM 0 HB2 LYS A 61 -1.249 7.833 -28.971 1.00 2.42 H new ATOM 0 HB3 LYS A 61 0.165 8.694 -29.545 1.00 2.42 H new ATOM 0 HG2 LYS A 61 1.453 6.452 -29.217 1.00 33.22 H new ATOM 0 HG3 LYS A 61 -0.124 5.703 -29.061 1.00 33.22 H new ATOM 0 HD2 LYS A 61 -0.643 7.023 -31.323 1.00 12.03 H new ATOM 0 HD3 LYS A 61 1.103 7.053 -31.475 1.00 12.03 H new ATOM 0 HE2 LYS A 61 1.018 4.488 -31.024 1.00 21.23 H new ATOM 0 HE3 LYS A 61 -0.708 4.610 -31.302 1.00 21.23 H new ATOM 0 HZ1 LYS A 61 -0.226 4.428 -33.446 1.00 33.40 H new ATOM 0 HZ2 LYS A 61 0.409 6.002 -33.381 1.00 33.40 H new ATOM 0 HZ3 LYS A 61 1.436 4.664 -33.187 1.00 33.40 H new ATOM 945 N GLY A 62 0.684 10.424 -27.154 1.00 30.01 N ATOM 946 CA GLY A 62 0.401 11.760 -26.657 1.00 62.11 C ATOM 947 C GLY A 62 0.179 11.746 -25.143 1.00 55.34 C ATOM 948 O GLY A 62 -0.401 12.679 -24.589 1.00 43.32 O ATOM 0 H GLY A 62 1.542 10.345 -27.701 1.00 30.01 H new ATOM 0 HA2 GLY A 62 1.229 12.426 -26.901 1.00 62.11 H new ATOM 0 HA3 GLY A 62 -0.484 12.157 -27.154 1.00 62.11 H new ATOM 952 N TYR A 63 0.650 10.678 -24.518 1.00 3.14 N ATOM 953 CA TYR A 63 0.510 10.531 -23.079 1.00 20.31 C ATOM 954 C TYR A 63 1.636 11.257 -22.341 1.00 3.21 C ATOM 955 O TYR A 63 2.572 11.755 -22.965 1.00 0.31 O ATOM 956 CB TYR A 63 0.616 9.031 -22.796 1.00 74.23 C ATOM 957 CG TYR A 63 0.866 8.691 -21.326 1.00 21.21 C ATOM 958 CD1 TYR A 63 2.156 8.655 -20.836 1.00 13.23 C ATOM 959 CD2 TYR A 63 -0.198 8.420 -20.489 1.00 62.54 C ATOM 960 CE1 TYR A 63 2.391 8.335 -19.452 1.00 4.23 C ATOM 961 CE2 TYR A 63 0.038 8.099 -19.105 1.00 51.53 C ATOM 962 CZ TYR A 63 1.321 8.073 -18.655 1.00 11.02 C ATOM 963 OH TYR A 63 1.543 7.771 -17.348 1.00 24.34 O ATOM 0 H TYR A 63 1.129 9.906 -24.981 1.00 3.14 H new ATOM 0 HA TYR A 63 -0.435 10.955 -22.741 1.00 20.31 H new ATOM 0 HB2 TYR A 63 -0.305 8.545 -23.119 1.00 74.23 H new ATOM 0 HB3 TYR A 63 1.424 8.615 -23.397 1.00 74.23 H new ATOM 0 HD1 TYR A 63 2.989 8.867 -21.490 1.00 13.23 H new ATOM 0 HD2 TYR A 63 -1.207 8.449 -20.872 1.00 62.54 H new ATOM 0 HE1 TYR A 63 3.395 8.304 -19.056 1.00 4.23 H new ATOM 0 HE2 TYR A 63 -0.785 7.884 -18.440 1.00 51.53 H new ATOM 0 HH TYR A 63 0.853 8.191 -16.793 1.00 24.34 H new ATOM 973 N ALA A 64 1.509 11.295 -21.023 1.00 21.54 N ATOM 974 CA ALA A 64 2.505 11.952 -20.193 1.00 33.30 C ATOM 975 C ALA A 64 1.997 12.019 -18.751 1.00 53.33 C ATOM 976 O ALA A 64 0.791 12.084 -18.517 1.00 21.24 O ATOM 977 CB ALA A 64 2.815 13.335 -20.767 1.00 41.42 C ATOM 0 H ALA A 64 0.731 10.881 -20.509 1.00 21.54 H new ATOM 0 HA ALA A 64 3.436 11.385 -20.188 1.00 33.30 H new ATOM 0 HB1 ALA A 64 3.562 13.828 -20.145 1.00 41.42 H new ATOM 0 HB2 ALA A 64 3.200 13.230 -21.781 1.00 41.42 H new ATOM 0 HB3 ALA A 64 1.905 13.934 -20.784 1.00 41.42 H new ATOM 983 N PRO A 65 2.967 12.002 -17.799 1.00 21.34 N ATOM 984 CA PRO A 65 2.631 12.060 -16.386 1.00 55.34 C ATOM 985 C PRO A 65 2.210 13.474 -15.981 1.00 52.41 C ATOM 986 O PRO A 65 2.409 14.425 -16.736 1.00 13.35 O ATOM 987 CB PRO A 65 3.880 11.582 -15.664 1.00 55.11 C ATOM 988 CG PRO A 65 5.017 11.717 -16.664 1.00 35.20 C ATOM 989 CD PRO A 65 4.405 11.926 -18.040 1.00 20.03 C ATOM 0 HA PRO A 65 1.776 11.434 -16.131 1.00 55.34 H new ATOM 0 HB2 PRO A 65 4.070 12.181 -14.774 1.00 55.11 H new ATOM 0 HB3 PRO A 65 3.770 10.549 -15.335 1.00 55.11 H new ATOM 0 HG2 PRO A 65 5.660 12.557 -16.400 1.00 35.20 H new ATOM 0 HG3 PRO A 65 5.641 10.823 -16.655 1.00 35.20 H new ATOM 0 HD2 PRO A 65 4.777 12.839 -18.504 1.00 20.03 H new ATOM 0 HD3 PRO A 65 4.651 11.104 -18.712 1.00 20.03 H new