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 123:sc= -2.44 USER MOD Set 1.2: A 21 MET CE :methyl -164:sc= -5.23! (180deg=-6.55!) USER MOD Set 2.1: A 2 GLN : amide:sc= -6.05! C(o=-4.9!,f=-12!) USER MOD Set 2.2: A 4 SER OG : rot -75:sc= 1.18 USER MOD Single : A 14 ASN : amide:sc= -6.37! C(o=-6.4!,f=-4.5!) USER MOD Single : A 15 THR OG1 : rot 74:sc= 0.0142 USER MOD Single : A 22 MET CE :methyl -174:sc= -4.03! (180deg=-4.76!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 101:sc= 1.02 USER MOD Single : A 28 SER OG : rot 180:sc= -0.477 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.181 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -144:sc= -7.62! (180deg=-17.3!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.95! C(o=-3.9!,f=-5.6!) USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.26) USER MOD Single : A 51 MET CE :methyl 156:sc= -0.295 (180deg=-1.23) USER MOD Single : A 53 THR OG1 : rot -125:sc= -1.22 USER MOD Single : A 54 THR OG1 : rot 154:sc= -5.03! USER MOD Single : A 56 MET CE :methyl -165:sc= -3.85! (180deg=-4.06!) USER MOD Single : A 59 MET CE :methyl 174:sc= -5.39! (180deg=-5.86!) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.858 (180deg=-1.96) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.636 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.006 0.266 -4.881 1.00 62.50 N ATOM 33 CA GLN A 2 -1.518 1.353 -5.697 1.00 71.14 C ATOM 34 C GLN A 2 -2.256 0.799 -6.918 1.00 25.51 C ATOM 35 O GLN A 2 -1.756 -0.099 -7.595 1.00 0.04 O ATOM 36 CB GLN A 2 -0.392 2.299 -6.120 1.00 72.30 C ATOM 37 CG GLN A 2 0.321 1.779 -7.370 1.00 33.51 C ATOM 38 CD GLN A 2 -0.490 2.085 -8.631 1.00 31.41 C ATOM 39 OE1 GLN A 2 -0.802 1.214 -9.426 1.00 64.44 O ATOM 40 NE2 GLN A 2 -0.813 3.367 -8.768 1.00 53.41 N ATOM 0 HA GLN A 2 -2.225 1.927 -5.099 1.00 71.14 H new ATOM 0 HB2 GLN A 2 -0.800 3.291 -6.316 1.00 72.30 H new ATOM 0 HB3 GLN A 2 0.325 2.404 -5.305 1.00 72.30 H new ATOM 0 HG2 GLN A 2 1.307 2.237 -7.447 1.00 33.51 H new ATOM 0 HG3 GLN A 2 0.475 0.703 -7.284 1.00 33.51 H new ATOM 0 HE21 GLN A 2 -0.520 4.045 -8.065 1.00 53.41 H new ATOM 0 HE22 GLN A 2 -1.354 3.673 -9.577 1.00 53.41 H new ATOM 49 N GLU A 3 -3.432 1.356 -7.162 1.00 53.11 N ATOM 50 CA GLU A 3 -4.244 0.929 -8.289 1.00 64.43 C ATOM 51 C GLU A 3 -3.599 1.370 -9.605 1.00 21.32 C ATOM 52 O GLU A 3 -3.121 2.497 -9.719 1.00 12.54 O ATOM 53 CB GLU A 3 -5.672 1.465 -8.172 1.00 24.13 C ATOM 54 CG GLU A 3 -6.566 0.481 -7.415 1.00 73.01 C ATOM 55 CD GLU A 3 -7.997 1.011 -7.309 1.00 15.50 C ATOM 56 OE1 GLU A 3 -8.208 2.133 -6.825 1.00 15.41 O ATOM 57 OE2 GLU A 3 -8.909 0.214 -7.752 1.00 70.54 O ATOM 0 H GLU A 3 -3.843 2.100 -6.598 1.00 53.11 H new ATOM 0 HA GLU A 3 -4.299 -0.160 -8.280 1.00 64.43 H new ATOM 0 HB2 GLU A 3 -5.663 2.425 -7.656 1.00 24.13 H new ATOM 0 HB3 GLU A 3 -6.081 1.642 -9.167 1.00 24.13 H new ATOM 0 HG2 GLU A 3 -6.568 -0.482 -7.926 1.00 73.01 H new ATOM 0 HG3 GLU A 3 -6.162 0.311 -6.417 1.00 73.01 H new ATOM 65 N SER A 4 -3.606 0.457 -10.566 1.00 11.45 N ATOM 66 CA SER A 4 -3.028 0.738 -11.869 1.00 1.23 C ATOM 67 C SER A 4 -4.085 0.558 -12.960 1.00 61.30 C ATOM 68 O SER A 4 -4.922 -0.340 -12.876 1.00 42.13 O ATOM 69 CB SER A 4 -1.823 -0.164 -12.143 1.00 1.15 C ATOM 70 OG SER A 4 -1.354 -0.802 -10.958 1.00 22.21 O ATOM 0 H SER A 4 -4.003 -0.478 -10.468 1.00 11.45 H new ATOM 0 HA SER A 4 -2.682 1.772 -11.874 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.096 -0.921 -12.878 1.00 1.15 H new ATOM 0 HB3 SER A 4 -1.018 0.428 -12.579 1.00 1.15 H new ATOM 0 HG SER A 4 -0.864 -0.154 -10.410 1.00 22.21 H new ATOM 76 N VAL A 5 -4.012 1.425 -13.959 1.00 13.22 N ATOM 77 CA VAL A 5 -4.952 1.373 -15.065 1.00 75.14 C ATOM 78 C VAL A 5 -4.909 -0.018 -15.701 1.00 23.21 C ATOM 79 O VAL A 5 -3.831 -0.560 -15.943 1.00 74.23 O ATOM 80 CB VAL A 5 -4.651 2.495 -16.061 1.00 75.22 C ATOM 81 CG1 VAL A 5 -5.526 2.368 -17.310 1.00 43.24 C ATOM 82 CG2 VAL A 5 -4.823 3.868 -15.409 1.00 32.15 C ATOM 0 H VAL A 5 -3.316 2.168 -14.025 1.00 13.22 H new ATOM 0 HA VAL A 5 -5.969 1.536 -14.709 1.00 75.14 H new ATOM 0 HB VAL A 5 -3.610 2.399 -16.369 1.00 75.22 H new ATOM 0 HG11 VAL A 5 -5.292 3.177 -18.002 1.00 43.24 H new ATOM 0 HG12 VAL A 5 -5.333 1.410 -17.794 1.00 43.24 H new ATOM 0 HG13 VAL A 5 -6.577 2.426 -17.026 1.00 43.24 H new ATOM 0 HG21 VAL A 5 -4.603 4.647 -16.139 1.00 32.15 H new ATOM 0 HG22 VAL A 5 -5.849 3.978 -15.058 1.00 32.15 H new ATOM 0 HG23 VAL A 5 -4.140 3.958 -14.565 1.00 32.15 H new ATOM 92 N VAL A 6 -6.093 -0.556 -15.953 1.00 21.35 N ATOM 93 CA VAL A 6 -6.203 -1.874 -16.555 1.00 54.12 C ATOM 94 C VAL A 6 -7.291 -1.848 -17.631 1.00 32.42 C ATOM 95 O VAL A 6 -8.417 -1.428 -17.370 1.00 13.30 O ATOM 96 CB VAL A 6 -6.458 -2.925 -15.473 1.00 4.24 C ATOM 97 CG1 VAL A 6 -6.830 -4.273 -16.094 1.00 10.44 C ATOM 98 CG2 VAL A 6 -5.247 -3.063 -14.548 1.00 2.04 C ATOM 0 H VAL A 6 -6.985 -0.103 -15.751 1.00 21.35 H new ATOM 0 HA VAL A 6 -5.268 -2.150 -17.043 1.00 54.12 H new ATOM 0 HB VAL A 6 -7.303 -2.589 -14.872 1.00 4.24 H new ATOM 0 HG11 VAL A 6 -7.006 -5.002 -15.303 1.00 10.44 H new ATOM 0 HG12 VAL A 6 -7.734 -4.161 -16.692 1.00 10.44 H new ATOM 0 HG13 VAL A 6 -6.015 -4.618 -16.730 1.00 10.44 H new ATOM 0 HG21 VAL A 6 -5.454 -3.816 -13.788 1.00 2.04 H new ATOM 0 HG22 VAL A 6 -4.377 -3.365 -15.131 1.00 2.04 H new ATOM 0 HG23 VAL A 6 -5.047 -2.106 -14.066 1.00 2.04 H new ATOM 108 N ALA A 7 -6.916 -2.304 -18.817 1.00 54.11 N ATOM 109 CA ALA A 7 -7.846 -2.339 -19.933 1.00 51.43 C ATOM 110 C ALA A 7 -9.114 -3.084 -19.512 1.00 60.34 C ATOM 111 O ALA A 7 -9.146 -4.314 -19.518 1.00 1.02 O ATOM 112 CB ALA A 7 -7.166 -2.981 -21.144 1.00 75.21 C ATOM 0 H ALA A 7 -5.981 -2.652 -19.030 1.00 54.11 H new ATOM 0 HA ALA A 7 -8.138 -1.329 -20.221 1.00 51.43 H new ATOM 0 HB1 ALA A 7 -7.863 -3.007 -21.981 1.00 75.21 H new ATOM 0 HB2 ALA A 7 -6.289 -2.397 -21.421 1.00 75.21 H new ATOM 0 HB3 ALA A 7 -6.861 -3.997 -20.894 1.00 75.21 H new ATOM 118 N ALA A 8 -10.128 -2.309 -19.158 1.00 0.14 N ATOM 119 CA ALA A 8 -11.395 -2.881 -18.735 1.00 11.43 C ATOM 120 C ALA A 8 -12.010 -3.663 -19.897 1.00 11.30 C ATOM 121 O ALA A 8 -12.949 -4.433 -19.704 1.00 33.15 O ATOM 122 CB ALA A 8 -12.315 -1.767 -18.230 1.00 43.10 C ATOM 0 H ALA A 8 -10.098 -1.289 -19.155 1.00 0.14 H new ATOM 0 HA ALA A 8 -11.245 -3.579 -17.911 1.00 11.43 H new ATOM 0 HB1 ALA A 8 -13.265 -2.196 -17.913 1.00 43.10 H new ATOM 0 HB2 ALA A 8 -11.845 -1.262 -17.386 1.00 43.10 H new ATOM 0 HB3 ALA A 8 -12.490 -1.049 -19.031 1.00 43.10 H new ATOM 128 N VAL A 9 -11.455 -3.438 -21.079 1.00 13.31 N ATOM 129 CA VAL A 9 -11.937 -4.112 -22.272 1.00 55.35 C ATOM 130 C VAL A 9 -10.803 -4.202 -23.295 1.00 71.32 C ATOM 131 O VAL A 9 -9.738 -3.619 -23.099 1.00 61.14 O ATOM 132 CB VAL A 9 -13.175 -3.394 -22.815 1.00 33.23 C ATOM 133 CG1 VAL A 9 -14.282 -3.337 -21.760 1.00 21.13 C ATOM 134 CG2 VAL A 9 -12.821 -1.992 -23.315 1.00 33.23 C ATOM 0 H VAL A 9 -10.676 -2.798 -21.236 1.00 13.31 H new ATOM 0 HA VAL A 9 -12.245 -5.131 -22.037 1.00 55.35 H new ATOM 0 HB VAL A 9 -13.550 -3.967 -23.663 1.00 33.23 H new ATOM 0 HG11 VAL A 9 -15.150 -2.822 -22.171 1.00 21.13 H new ATOM 0 HG12 VAL A 9 -14.563 -4.350 -21.473 1.00 21.13 H new ATOM 0 HG13 VAL A 9 -13.922 -2.798 -20.884 1.00 21.13 H new ATOM 0 HG21 VAL A 9 -13.718 -1.504 -23.695 1.00 33.23 H new ATOM 0 HG22 VAL A 9 -12.410 -1.406 -22.493 1.00 33.23 H new ATOM 0 HG23 VAL A 9 -12.082 -2.066 -24.113 1.00 33.23 H new ATOM 144 N LEU A 10 -11.070 -4.938 -24.364 1.00 74.11 N ATOM 145 CA LEU A 10 -10.085 -5.113 -25.418 1.00 13.41 C ATOM 146 C LEU A 10 -9.788 -3.757 -26.061 1.00 45.23 C ATOM 147 O LEU A 10 -10.598 -3.238 -26.827 1.00 50.33 O ATOM 148 CB LEU A 10 -10.549 -6.177 -26.414 1.00 31.41 C ATOM 149 CG LEU A 10 -9.787 -6.233 -27.739 1.00 63.43 C ATOM 150 CD1 LEU A 10 -8.587 -7.178 -27.642 1.00 52.03 C ATOM 151 CD2 LEU A 10 -10.719 -6.608 -28.893 1.00 34.11 C ATOM 0 H LEU A 10 -11.955 -5.420 -24.523 1.00 74.11 H new ATOM 0 HA LEU A 10 -9.147 -5.484 -25.005 1.00 13.41 H new ATOM 0 HB2 LEU A 10 -10.475 -7.153 -25.934 1.00 31.41 H new ATOM 0 HB3 LEU A 10 -11.604 -6.008 -26.631 1.00 31.41 H new ATOM 0 HG LEU A 10 -9.397 -5.237 -27.950 1.00 63.43 H new ATOM 0 HD11 LEU A 10 -8.063 -7.199 -28.597 1.00 52.03 H new ATOM 0 HD12 LEU A 10 -7.909 -6.827 -26.864 1.00 52.03 H new ATOM 0 HD13 LEU A 10 -8.933 -8.182 -27.396 1.00 52.03 H new ATOM 0 HD21 LEU A 10 -10.152 -6.641 -29.823 1.00 34.11 H new ATOM 0 HD22 LEU A 10 -11.159 -7.587 -28.702 1.00 34.11 H new ATOM 0 HD23 LEU A 10 -11.511 -5.864 -28.977 1.00 34.11 H new ATOM 163 N ILE A 11 -8.623 -3.222 -25.726 1.00 44.24 N ATOM 164 CA ILE A 11 -8.208 -1.936 -26.262 1.00 22.31 C ATOM 165 C ILE A 11 -7.210 -2.161 -27.400 1.00 55.22 C ATOM 166 O ILE A 11 -6.067 -2.547 -27.162 1.00 34.22 O ATOM 167 CB ILE A 11 -7.674 -1.038 -25.145 1.00 2.43 C ATOM 168 CG1 ILE A 11 -8.319 -1.389 -23.803 1.00 13.13 C ATOM 169 CG2 ILE A 11 -7.852 0.440 -25.497 1.00 55.44 C ATOM 170 CD1 ILE A 11 -8.198 -0.226 -22.815 1.00 74.52 C ATOM 0 H ILE A 11 -7.953 -3.655 -25.090 1.00 44.24 H new ATOM 0 HA ILE A 11 -9.061 -1.406 -26.686 1.00 22.31 H new ATOM 0 HB ILE A 11 -6.604 -1.218 -25.045 1.00 2.43 H new ATOM 0 HG12 ILE A 11 -9.370 -1.635 -23.954 1.00 13.13 H new ATOM 0 HG13 ILE A 11 -7.841 -2.276 -23.387 1.00 13.13 H new ATOM 0 HG21 ILE A 11 -7.464 1.056 -24.686 1.00 55.44 H new ATOM 0 HG22 ILE A 11 -7.308 0.664 -26.415 1.00 55.44 H new ATOM 0 HG23 ILE A 11 -8.911 0.655 -25.641 1.00 55.44 H new ATOM 0 HD11 ILE A 11 -8.665 -0.502 -21.869 1.00 74.52 H new ATOM 0 HD12 ILE A 11 -7.145 0.001 -22.648 1.00 74.52 H new ATOM 0 HD13 ILE A 11 -8.698 0.652 -23.224 1.00 74.52 H new ATOM 182 N PRO A 12 -7.692 -1.902 -28.646 1.00 31.34 N ATOM 183 CA PRO A 12 -6.856 -2.072 -29.822 1.00 23.05 C ATOM 184 C PRO A 12 -5.840 -0.934 -29.941 1.00 24.34 C ATOM 185 O PRO A 12 -5.889 0.029 -29.178 1.00 1.24 O ATOM 186 CB PRO A 12 -7.826 -2.126 -30.990 1.00 73.40 C ATOM 187 CG PRO A 12 -9.125 -1.522 -30.481 1.00 71.35 C ATOM 188 CD PRO A 12 -9.040 -1.443 -28.966 1.00 35.20 C ATOM 0 HA PRO A 12 -6.252 -2.978 -29.781 1.00 23.05 H new ATOM 0 HB2 PRO A 12 -7.442 -1.566 -31.843 1.00 73.40 H new ATOM 0 HB3 PRO A 12 -7.977 -3.152 -31.325 1.00 73.40 H new ATOM 0 HG2 PRO A 12 -9.278 -0.530 -30.907 1.00 71.35 H new ATOM 0 HG3 PRO A 12 -9.975 -2.133 -30.784 1.00 71.35 H new ATOM 0 HD2 PRO A 12 -9.206 -0.425 -28.613 1.00 35.20 H new ATOM 0 HD3 PRO A 12 -9.795 -2.072 -28.494 1.00 35.20 H new ATOM 196 N ILE A 13 -4.942 -1.084 -30.904 1.00 13.31 N ATOM 197 CA ILE A 13 -3.916 -0.081 -31.133 1.00 11.41 C ATOM 198 C ILE A 13 -4.568 1.197 -31.665 1.00 0.44 C ATOM 199 O ILE A 13 -5.654 1.151 -32.241 1.00 4.31 O ATOM 200 CB ILE A 13 -2.818 -0.635 -32.043 1.00 32.44 C ATOM 201 CG1 ILE A 13 -1.742 0.419 -32.308 1.00 65.21 C ATOM 202 CG2 ILE A 13 -3.410 -1.190 -33.340 1.00 64.21 C ATOM 203 CD1 ILE A 13 -0.649 -0.133 -33.226 1.00 43.31 C ATOM 0 H ILE A 13 -4.904 -1.885 -31.534 1.00 13.31 H new ATOM 0 HA ILE A 13 -3.422 0.178 -30.197 1.00 11.41 H new ATOM 0 HB ILE A 13 -2.334 -1.466 -31.529 1.00 32.44 H new ATOM 0 HG12 ILE A 13 -2.195 1.299 -32.764 1.00 65.21 H new ATOM 0 HG13 ILE A 13 -1.302 0.740 -31.364 1.00 65.21 H new ATOM 0 HG21 ILE A 13 -2.609 -1.578 -33.969 1.00 64.21 H new ATOM 0 HG22 ILE A 13 -4.109 -1.993 -33.106 1.00 64.21 H new ATOM 0 HG23 ILE A 13 -3.935 -0.395 -33.870 1.00 64.21 H new ATOM 0 HD11 ILE A 13 0.104 0.636 -33.399 1.00 43.31 H new ATOM 0 HD12 ILE A 13 -0.182 -0.999 -32.756 1.00 43.31 H new ATOM 0 HD13 ILE A 13 -1.089 -0.430 -34.178 1.00 43.31 H new ATOM 215 N ASN A 14 -3.878 2.308 -31.452 1.00 2.11 N ATOM 216 CA ASN A 14 -4.376 3.597 -31.903 1.00 21.44 C ATOM 217 C ASN A 14 -5.883 3.672 -31.652 1.00 74.31 C ATOM 218 O ASN A 14 -6.651 3.998 -32.556 1.00 40.31 O ATOM 219 CB ASN A 14 -4.136 3.786 -33.402 1.00 3.24 C ATOM 220 CG ASN A 14 -4.600 2.561 -34.191 1.00 35.42 C ATOM 221 OD1 ASN A 14 -5.783 2.308 -34.356 1.00 24.14 O ATOM 222 ND2 ASN A 14 -3.607 1.816 -34.668 1.00 32.12 N ATOM 0 H ASN A 14 -2.978 2.342 -30.973 1.00 2.11 H new ATOM 0 HA ASN A 14 -3.847 4.375 -31.352 1.00 21.44 H new ATOM 0 HB2 ASN A 14 -4.669 4.671 -33.750 1.00 3.24 H new ATOM 0 HB3 ASN A 14 -3.076 3.960 -33.585 1.00 3.24 H new ATOM 0 HD21 ASN A 14 -3.814 0.976 -35.208 1.00 32.12 H new ATOM 0 HD22 ASN A 14 -2.639 2.085 -34.493 1.00 32.12 H new ATOM 229 N THR A 15 -6.262 3.364 -30.420 1.00 74.35 N ATOM 230 CA THR A 15 -7.664 3.392 -30.040 1.00 14.23 C ATOM 231 C THR A 15 -7.887 4.386 -28.898 1.00 3.00 C ATOM 232 O THR A 15 -7.304 4.244 -27.824 1.00 41.02 O ATOM 233 CB THR A 15 -8.089 1.964 -29.693 1.00 73.24 C ATOM 234 OG1 THR A 15 -8.012 1.268 -30.935 1.00 14.14 O ATOM 235 CG2 THR A 15 -9.566 1.870 -29.305 1.00 12.24 C ATOM 0 H THR A 15 -5.623 3.094 -29.673 1.00 74.35 H new ATOM 0 HA THR A 15 -8.289 3.742 -30.861 1.00 14.23 H new ATOM 0 HB THR A 15 -7.474 1.591 -28.874 1.00 73.24 H new ATOM 0 HG1 THR A 15 -7.072 1.109 -31.163 1.00 14.14 H new ATOM 0 HG21 THR A 15 -9.815 0.835 -29.069 1.00 12.24 H new ATOM 0 HG22 THR A 15 -9.754 2.497 -28.433 1.00 12.24 H new ATOM 0 HG23 THR A 15 -10.183 2.211 -30.136 1.00 12.24 H new ATOM 243 N ALA A 16 -8.731 5.370 -29.169 1.00 13.20 N ATOM 244 CA ALA A 16 -9.038 6.387 -28.178 1.00 0.52 C ATOM 245 C ALA A 16 -9.454 5.710 -26.870 1.00 44.42 C ATOM 246 O ALA A 16 -10.293 4.812 -26.872 1.00 35.21 O ATOM 247 CB ALA A 16 -10.122 7.320 -28.722 1.00 11.03 C ATOM 0 H ALA A 16 -9.212 5.485 -30.061 1.00 13.20 H new ATOM 0 HA ALA A 16 -8.159 6.996 -27.969 1.00 0.52 H new ATOM 0 HB1 ALA A 16 -10.352 8.083 -27.978 1.00 11.03 H new ATOM 0 HB2 ALA A 16 -9.766 7.798 -29.634 1.00 11.03 H new ATOM 0 HB3 ALA A 16 -11.021 6.744 -28.941 1.00 11.03 H new ATOM 253 N LEU A 17 -8.846 6.168 -25.785 1.00 71.22 N ATOM 254 CA LEU A 17 -9.143 5.618 -24.473 1.00 65.54 C ATOM 255 C LEU A 17 -10.322 6.376 -23.861 1.00 43.34 C ATOM 256 O LEU A 17 -10.406 7.598 -23.978 1.00 74.24 O ATOM 257 CB LEU A 17 -7.889 5.618 -23.596 1.00 41.33 C ATOM 258 CG LEU A 17 -6.741 4.722 -24.066 1.00 34.55 C ATOM 259 CD1 LEU A 17 -5.459 5.019 -23.286 1.00 32.33 C ATOM 260 CD2 LEU A 17 -7.132 3.244 -23.985 1.00 41.40 C ATOM 0 H LEU A 17 -8.150 6.913 -25.788 1.00 71.22 H new ATOM 0 HA LEU A 17 -9.445 4.574 -24.557 1.00 65.54 H new ATOM 0 HB2 LEU A 17 -7.519 6.641 -23.525 1.00 41.33 H new ATOM 0 HB3 LEU A 17 -8.174 5.312 -22.589 1.00 41.33 H new ATOM 0 HG LEU A 17 -6.539 4.946 -25.114 1.00 34.55 H new ATOM 0 HD11 LEU A 17 -4.659 4.369 -23.640 1.00 32.33 H new ATOM 0 HD12 LEU A 17 -5.174 6.060 -23.437 1.00 32.33 H new ATOM 0 HD13 LEU A 17 -5.629 4.840 -22.224 1.00 32.33 H new ATOM 0 HD21 LEU A 17 -6.299 2.628 -24.324 1.00 41.40 H new ATOM 0 HD22 LEU A 17 -7.376 2.988 -22.954 1.00 41.40 H new ATOM 0 HD23 LEU A 17 -8.000 3.062 -24.619 1.00 41.40 H new ATOM 272 N THR A 18 -11.203 5.621 -23.222 1.00 65.21 N ATOM 273 CA THR A 18 -12.373 6.207 -22.591 1.00 71.25 C ATOM 274 C THR A 18 -12.433 5.818 -21.113 1.00 73.20 C ATOM 275 O THR A 18 -11.634 5.006 -20.648 1.00 14.51 O ATOM 276 CB THR A 18 -13.606 5.770 -23.385 1.00 51.33 C ATOM 277 OG1 THR A 18 -13.468 4.356 -23.491 1.00 33.02 O ATOM 278 CG2 THR A 18 -13.571 6.257 -24.835 1.00 54.24 C ATOM 0 H THR A 18 -11.130 4.608 -23.128 1.00 65.21 H new ATOM 0 HA THR A 18 -12.327 7.296 -22.606 1.00 71.25 H new ATOM 0 HB THR A 18 -14.504 6.147 -22.896 1.00 51.33 H new ATOM 0 HG1 THR A 18 -14.260 3.921 -23.113 1.00 33.02 H new ATOM 0 HG21 THR A 18 -14.468 5.920 -25.354 1.00 54.24 H new ATOM 0 HG22 THR A 18 -13.529 7.346 -24.852 1.00 54.24 H new ATOM 0 HG23 THR A 18 -12.690 5.852 -25.334 1.00 54.24 H new ATOM 286 N VAL A 19 -13.388 6.415 -20.415 1.00 74.05 N ATOM 287 CA VAL A 19 -13.563 6.141 -18.999 1.00 54.22 C ATOM 288 C VAL A 19 -14.311 4.817 -18.829 1.00 14.43 C ATOM 289 O VAL A 19 -14.359 4.264 -17.731 1.00 41.12 O ATOM 290 CB VAL A 19 -14.269 7.318 -18.322 1.00 22.00 C ATOM 291 CG1 VAL A 19 -15.788 7.146 -18.367 1.00 33.32 C ATOM 292 CG2 VAL A 19 -13.779 7.496 -16.883 1.00 52.34 C ATOM 0 H VAL A 19 -14.049 7.088 -20.804 1.00 74.05 H new ATOM 0 HA VAL A 19 -12.596 6.033 -18.508 1.00 54.22 H new ATOM 0 HB VAL A 19 -14.019 8.223 -18.876 1.00 22.00 H new ATOM 0 HG11 VAL A 19 -16.265 7.996 -17.879 1.00 33.32 H new ATOM 0 HG12 VAL A 19 -16.117 7.091 -19.405 1.00 33.32 H new ATOM 0 HG13 VAL A 19 -16.066 6.228 -17.849 1.00 33.32 H new ATOM 0 HG21 VAL A 19 -14.296 8.339 -16.424 1.00 52.34 H new ATOM 0 HG22 VAL A 19 -13.986 6.590 -16.314 1.00 52.34 H new ATOM 0 HG23 VAL A 19 -12.706 7.686 -16.885 1.00 52.34 H new ATOM 302 N GLY A 20 -14.877 4.348 -19.931 1.00 30.10 N ATOM 303 CA GLY A 20 -15.620 3.100 -19.917 1.00 74.53 C ATOM 304 C GLY A 20 -14.812 1.973 -20.565 1.00 14.03 C ATOM 305 O GLY A 20 -15.343 0.894 -20.825 1.00 2.20 O ATOM 0 H GLY A 20 -14.836 4.810 -20.839 1.00 30.10 H new ATOM 0 HA2 GLY A 20 -15.867 2.831 -18.890 1.00 74.53 H new ATOM 0 HA3 GLY A 20 -16.563 3.228 -20.448 1.00 74.53 H new ATOM 309 N MET A 21 -13.542 2.262 -20.806 1.00 12.30 N ATOM 310 CA MET A 21 -12.656 1.287 -21.418 1.00 3.10 C ATOM 311 C MET A 21 -11.549 0.867 -20.448 1.00 55.01 C ATOM 312 O MET A 21 -11.080 -0.269 -20.491 1.00 44.02 O ATOM 313 CB MET A 21 -12.029 1.887 -22.678 1.00 72.24 C ATOM 314 CG MET A 21 -12.814 1.480 -23.927 1.00 62.04 C ATOM 315 SD MET A 21 -11.689 1.139 -25.271 1.00 10.21 S ATOM 316 CE MET A 21 -10.553 2.503 -25.078 1.00 34.22 C ATOM 0 H MET A 21 -13.105 3.158 -20.588 1.00 12.30 H new ATOM 0 HA MET A 21 -13.241 0.405 -21.677 1.00 3.10 H new ATOM 0 HB2 MET A 21 -12.007 2.974 -22.596 1.00 72.24 H new ATOM 0 HB3 MET A 21 -10.995 1.553 -22.769 1.00 72.24 H new ATOM 0 HG2 MET A 21 -13.419 0.598 -23.715 1.00 62.04 H new ATOM 0 HG3 MET A 21 -13.501 2.277 -24.210 1.00 62.04 H new ATOM 0 HE1 MET A 21 -9.960 2.614 -25.986 1.00 34.22 H new ATOM 0 HE2 MET A 21 -11.113 3.420 -24.896 1.00 34.22 H new ATOM 0 HE3 MET A 21 -9.891 2.309 -24.234 1.00 34.22 H new ATOM 326 N MET A 22 -11.166 1.806 -19.596 1.00 5.10 N ATOM 327 CA MET A 22 -10.123 1.548 -18.617 1.00 33.50 C ATOM 328 C MET A 22 -10.725 1.186 -17.258 1.00 34.33 C ATOM 329 O MET A 22 -11.944 1.208 -17.089 1.00 5.25 O ATOM 330 CB MET A 22 -9.241 2.789 -18.471 1.00 20.24 C ATOM 331 CG MET A 22 -8.481 3.078 -19.767 1.00 74.41 C ATOM 332 SD MET A 22 -7.738 4.698 -19.691 1.00 3.42 S ATOM 333 CE MET A 22 -9.143 5.705 -20.136 1.00 44.42 C ATOM 0 H MET A 22 -11.559 2.747 -19.563 1.00 5.10 H new ATOM 0 HA MET A 22 -9.525 0.706 -18.964 1.00 33.50 H new ATOM 0 HB2 MET A 22 -9.857 3.648 -18.207 1.00 20.24 H new ATOM 0 HB3 MET A 22 -8.533 2.642 -17.655 1.00 20.24 H new ATOM 0 HG2 MET A 22 -7.711 2.323 -19.923 1.00 74.41 H new ATOM 0 HG3 MET A 22 -9.161 3.020 -20.617 1.00 74.41 H new ATOM 0 HE1 MET A 22 -8.828 6.743 -20.241 1.00 44.42 H new ATOM 0 HE2 MET A 22 -9.557 5.354 -21.081 1.00 44.42 H new ATOM 0 HE3 MET A 22 -9.903 5.634 -19.358 1.00 44.42 H new ATOM 343 N THR A 23 -9.844 0.861 -16.324 1.00 21.54 N ATOM 344 CA THR A 23 -10.273 0.494 -14.985 1.00 11.45 C ATOM 345 C THR A 23 -9.086 0.517 -14.019 1.00 73.13 C ATOM 346 O THR A 23 -7.938 0.632 -14.444 1.00 62.45 O ATOM 347 CB THR A 23 -10.965 -0.868 -15.066 1.00 4.03 C ATOM 348 OG1 THR A 23 -11.915 -0.839 -14.004 1.00 43.21 O ATOM 349 CG2 THR A 23 -10.030 -2.022 -14.698 1.00 1.05 C ATOM 0 H THR A 23 -8.834 0.844 -16.468 1.00 21.54 H new ATOM 0 HA THR A 23 -10.988 1.214 -14.588 1.00 11.45 H new ATOM 0 HB THR A 23 -11.350 -1.020 -16.074 1.00 4.03 H new ATOM 0 HG1 THR A 23 -12.410 -1.684 -13.985 1.00 43.21 H new ATOM 0 HG21 THR A 23 -10.570 -2.966 -14.772 1.00 1.05 H new ATOM 0 HG22 THR A 23 -9.182 -2.035 -15.382 1.00 1.05 H new ATOM 0 HG23 THR A 23 -9.671 -1.888 -13.678 1.00 1.05 H new ATOM 357 N THR A 24 -9.405 0.406 -12.738 1.00 64.30 N ATOM 358 CA THR A 24 -8.379 0.412 -11.709 1.00 21.22 C ATOM 359 C THR A 24 -8.298 -0.956 -11.029 1.00 23.23 C ATOM 360 O THR A 24 -9.311 -1.493 -10.583 1.00 43.00 O ATOM 361 CB THR A 24 -8.688 1.555 -10.740 1.00 32.21 C ATOM 362 OG1 THR A 24 -9.933 1.185 -10.153 1.00 53.45 O ATOM 363 CG2 THR A 24 -8.992 2.869 -11.462 1.00 61.13 C ATOM 0 H THR A 24 -10.359 0.311 -12.389 1.00 64.30 H new ATOM 0 HA THR A 24 -7.391 0.587 -12.136 1.00 21.22 H new ATOM 0 HB THR A 24 -7.843 1.698 -10.067 1.00 32.21 H new ATOM 0 HG1 THR A 24 -9.775 0.804 -9.264 1.00 53.45 H new ATOM 0 HG21 THR A 24 -9.204 3.647 -10.728 1.00 61.13 H new ATOM 0 HG22 THR A 24 -8.131 3.162 -12.062 1.00 61.13 H new ATOM 0 HG23 THR A 24 -9.858 2.736 -12.111 1.00 61.13 H new ATOM 371 N ARG A 25 -7.083 -1.481 -10.970 1.00 64.13 N ATOM 372 CA ARG A 25 -6.856 -2.776 -10.352 1.00 21.40 C ATOM 373 C ARG A 25 -5.402 -2.897 -9.889 1.00 55.43 C ATOM 374 O ARG A 25 -4.492 -2.408 -10.557 1.00 14.31 O ATOM 375 CB ARG A 25 -7.170 -3.914 -11.326 1.00 4.02 C ATOM 376 CG ARG A 25 -8.273 -4.819 -10.774 1.00 53.14 C ATOM 377 CD ARG A 25 -9.530 -4.743 -11.644 1.00 12.44 C ATOM 378 NE ARG A 25 -10.048 -6.104 -11.905 1.00 60.14 N ATOM 379 CZ ARG A 25 -11.332 -6.378 -12.219 1.00 71.21 C ATOM 380 NH1 ARG A 25 -12.241 -5.385 -12.313 1.00 15.22 N ATOM 381 NH2 ARG A 25 -11.685 -7.632 -12.433 1.00 32.04 N ATOM 0 H ARG A 25 -6.245 -1.033 -11.340 1.00 64.13 H new ATOM 0 HA ARG A 25 -7.522 -2.854 -9.493 1.00 21.40 H new ATOM 0 HB2 ARG A 25 -7.480 -3.501 -12.286 1.00 4.02 H new ATOM 0 HB3 ARG A 25 -6.270 -4.501 -11.507 1.00 4.02 H new ATOM 0 HG2 ARG A 25 -7.917 -5.848 -10.732 1.00 53.14 H new ATOM 0 HG3 ARG A 25 -8.514 -4.523 -9.753 1.00 53.14 H new ATOM 0 HD2 ARG A 25 -10.292 -4.145 -11.145 1.00 12.44 H new ATOM 0 HD3 ARG A 25 -9.301 -4.245 -12.586 1.00 12.44 H new ATOM 0 HE ARG A 25 -9.394 -6.884 -11.844 1.00 60.14 H new ATOM 0 HH11 ARG A 25 -11.960 -4.419 -12.146 1.00 15.22 H new ATOM 0 HH12 ARG A 25 -13.209 -5.601 -12.551 1.00 15.22 H new ATOM 0 HH21 ARG A 25 -10.992 -8.377 -12.360 1.00 32.04 H new ATOM 0 HH22 ARG A 25 -12.651 -7.856 -12.671 1.00 32.04 H new ATOM 394 N VAL A 26 -5.230 -3.550 -8.750 1.00 2.13 N ATOM 395 CA VAL A 26 -3.903 -3.740 -8.190 1.00 25.50 C ATOM 396 C VAL A 26 -3.190 -4.861 -8.949 1.00 63.42 C ATOM 397 O VAL A 26 -3.174 -6.007 -8.501 1.00 45.21 O ATOM 398 CB VAL A 26 -4.002 -4.006 -6.686 1.00 62.04 C ATOM 399 CG1 VAL A 26 -2.616 -4.010 -6.038 1.00 12.23 C ATOM 400 CG2 VAL A 26 -4.921 -2.988 -6.009 1.00 55.25 C ATOM 0 H VAL A 26 -5.987 -3.954 -8.199 1.00 2.13 H new ATOM 0 HA VAL A 26 -3.306 -2.836 -8.308 1.00 25.50 H new ATOM 0 HB VAL A 26 -4.439 -4.995 -6.548 1.00 62.04 H new ATOM 0 HG11 VAL A 26 -2.715 -4.201 -4.969 1.00 12.23 H new ATOM 0 HG12 VAL A 26 -2.005 -4.790 -6.491 1.00 12.23 H new ATOM 0 HG13 VAL A 26 -2.140 -3.041 -6.191 1.00 12.23 H new ATOM 0 HG21 VAL A 26 -4.974 -3.199 -4.941 1.00 55.25 H new ATOM 0 HG22 VAL A 26 -4.526 -1.984 -6.161 1.00 55.25 H new ATOM 0 HG23 VAL A 26 -5.919 -3.054 -6.442 1.00 55.25 H new ATOM 410 N VAL A 27 -2.618 -4.492 -10.086 1.00 24.03 N ATOM 411 CA VAL A 27 -1.905 -5.452 -10.911 1.00 70.15 C ATOM 412 C VAL A 27 -0.400 -5.201 -10.795 1.00 53.31 C ATOM 413 O VAL A 27 0.023 -4.104 -10.432 1.00 62.34 O ATOM 414 CB VAL A 27 -2.413 -5.382 -12.353 1.00 12.51 C ATOM 415 CG1 VAL A 27 -3.942 -5.343 -12.394 1.00 71.40 C ATOM 416 CG2 VAL A 27 -1.815 -4.180 -13.087 1.00 3.10 C ATOM 0 H VAL A 27 -2.634 -3.541 -10.455 1.00 24.03 H new ATOM 0 HA VAL A 27 -2.093 -6.468 -10.563 1.00 70.15 H new ATOM 0 HB VAL A 27 -2.086 -6.286 -12.867 1.00 12.51 H new ATOM 0 HG11 VAL A 27 -4.277 -5.293 -13.430 1.00 71.40 H new ATOM 0 HG12 VAL A 27 -4.342 -6.243 -11.926 1.00 71.40 H new ATOM 0 HG13 VAL A 27 -4.298 -4.465 -11.855 1.00 71.40 H new ATOM 0 HG21 VAL A 27 -2.192 -4.154 -14.109 1.00 3.10 H new ATOM 0 HG22 VAL A 27 -2.098 -3.262 -12.572 1.00 3.10 H new ATOM 0 HG23 VAL A 27 -0.729 -4.267 -13.103 1.00 3.10 H new ATOM 426 N SER A 28 0.366 -6.235 -11.110 1.00 1.44 N ATOM 427 CA SER A 28 1.815 -6.140 -11.045 1.00 14.42 C ATOM 428 C SER A 28 2.429 -6.599 -12.369 1.00 12.13 C ATOM 429 O SER A 28 2.015 -7.611 -12.931 1.00 71.41 O ATOM 430 CB SER A 28 2.370 -6.970 -9.886 1.00 13.12 C ATOM 431 OG SER A 28 3.695 -6.580 -9.536 1.00 40.14 O ATOM 0 H SER A 28 0.011 -7.143 -11.411 1.00 1.44 H new ATOM 0 HA SER A 28 2.082 -5.098 -10.870 1.00 14.42 H new ATOM 0 HB2 SER A 28 1.719 -6.862 -9.018 1.00 13.12 H new ATOM 0 HB3 SER A 28 2.363 -8.025 -10.160 1.00 13.12 H new ATOM 0 HG SER A 28 4.013 -7.132 -8.791 1.00 40.14 H new ATOM 437 N PRO A 29 3.433 -5.812 -12.840 1.00 54.32 N ATOM 438 CA PRO A 29 3.862 -4.630 -12.112 1.00 11.00 C ATOM 439 C PRO A 29 2.850 -3.493 -12.267 1.00 44.42 C ATOM 440 O PRO A 29 2.127 -3.431 -13.260 1.00 64.34 O ATOM 441 CB PRO A 29 5.229 -4.291 -12.683 1.00 62.10 C ATOM 442 CG PRO A 29 5.312 -5.009 -14.020 1.00 61.22 C ATOM 443 CD PRO A 29 4.183 -6.025 -14.074 1.00 73.05 C ATOM 0 HA PRO A 29 3.925 -4.798 -11.037 1.00 11.00 H new ATOM 0 HB2 PRO A 29 5.343 -3.214 -12.810 1.00 62.10 H new ATOM 0 HB3 PRO A 29 6.024 -4.619 -12.014 1.00 62.10 H new ATOM 0 HG2 PRO A 29 5.225 -4.298 -14.841 1.00 61.22 H new ATOM 0 HG3 PRO A 29 6.277 -5.504 -14.128 1.00 61.22 H new ATOM 0 HD2 PRO A 29 3.554 -5.872 -14.951 1.00 73.05 H new ATOM 0 HD3 PRO A 29 4.569 -7.043 -14.132 1.00 73.05 H new ATOM 451 N THR A 30 2.832 -2.620 -11.270 1.00 52.15 N ATOM 452 CA THR A 30 1.921 -1.488 -11.284 1.00 10.21 C ATOM 453 C THR A 30 2.253 -0.550 -12.446 1.00 3.21 C ATOM 454 O THR A 30 3.352 -0.001 -12.510 1.00 40.44 O ATOM 455 CB THR A 30 1.991 -0.808 -9.915 1.00 25.20 C ATOM 456 OG1 THR A 30 3.382 -0.799 -9.603 1.00 51.01 O ATOM 457 CG2 THR A 30 1.367 -1.658 -8.806 1.00 54.35 C ATOM 0 H THR A 30 3.433 -2.674 -10.448 1.00 52.15 H new ATOM 0 HA THR A 30 0.893 -1.810 -11.451 1.00 10.21 H new ATOM 0 HB THR A 30 1.484 0.156 -9.962 1.00 25.20 H new ATOM 0 HG1 THR A 30 3.885 -0.440 -10.363 1.00 51.01 H new ATOM 0 HG21 THR A 30 1.443 -1.129 -7.856 1.00 54.35 H new ATOM 0 HG22 THR A 30 0.318 -1.842 -9.036 1.00 54.35 H new ATOM 0 HG23 THR A 30 1.895 -2.609 -8.735 1.00 54.35 H new ATOM 465 N GLY A 31 1.284 -0.395 -13.335 1.00 74.03 N ATOM 466 CA GLY A 31 1.459 0.467 -14.492 1.00 4.23 C ATOM 467 C GLY A 31 0.878 1.858 -14.232 1.00 12.31 C ATOM 468 O GLY A 31 0.867 2.328 -13.095 1.00 52.11 O ATOM 0 H GLY A 31 0.374 -0.852 -13.278 1.00 74.03 H new ATOM 0 HA2 GLY A 31 2.519 0.551 -14.731 1.00 4.23 H new ATOM 0 HA3 GLY A 31 0.971 0.021 -15.359 1.00 4.23 H new ATOM 472 N ILE A 32 0.408 2.478 -15.305 1.00 4.24 N ATOM 473 CA ILE A 32 -0.173 3.806 -15.207 1.00 14.20 C ATOM 474 C ILE A 32 -1.059 3.880 -13.961 1.00 43.03 C ATOM 475 O ILE A 32 -1.743 2.915 -13.624 1.00 11.43 O ATOM 476 CB ILE A 32 -0.903 4.168 -16.502 1.00 42.13 C ATOM 477 CG1 ILE A 32 0.067 4.210 -17.685 1.00 24.33 C ATOM 478 CG2 ILE A 32 -1.675 5.480 -16.348 1.00 75.33 C ATOM 479 CD1 ILE A 32 -0.668 4.536 -18.986 1.00 40.11 C ATOM 0 H ILE A 32 0.418 2.085 -16.246 1.00 4.24 H new ATOM 0 HA ILE A 32 0.609 4.556 -15.088 1.00 14.20 H new ATOM 0 HB ILE A 32 -1.634 3.387 -16.712 1.00 42.13 H new ATOM 0 HG12 ILE A 32 0.838 4.959 -17.501 1.00 24.33 H new ATOM 0 HG13 ILE A 32 0.572 3.249 -17.780 1.00 24.33 H new ATOM 0 HG21 ILE A 32 -2.185 5.714 -17.283 1.00 75.33 H new ATOM 0 HG22 ILE A 32 -2.410 5.378 -15.550 1.00 75.33 H new ATOM 0 HG23 ILE A 32 -0.981 6.284 -16.102 1.00 75.33 H new ATOM 0 HD11 ILE A 32 0.045 4.560 -19.810 1.00 40.11 H new ATOM 0 HD12 ILE A 32 -1.421 3.772 -19.179 1.00 40.11 H new ATOM 0 HD13 ILE A 32 -1.152 5.509 -18.897 1.00 40.11 H new ATOM 491 N PRO A 33 -1.015 5.065 -13.295 1.00 35.21 N ATOM 492 CA PRO A 33 -1.805 5.277 -12.094 1.00 13.20 C ATOM 493 C PRO A 33 -3.282 5.485 -12.438 1.00 45.12 C ATOM 494 O PRO A 33 -3.607 6.011 -13.502 1.00 24.42 O ATOM 495 CB PRO A 33 -1.177 6.485 -11.418 1.00 40.15 C ATOM 496 CG PRO A 33 -0.359 7.184 -12.492 1.00 3.31 C ATOM 497 CD PRO A 33 -0.216 6.229 -13.666 1.00 15.14 C ATOM 0 HA PRO A 33 -1.796 4.415 -11.427 1.00 13.20 H new ATOM 0 HB2 PRO A 33 -1.942 7.149 -11.015 1.00 40.15 H new ATOM 0 HB3 PRO A 33 -0.547 6.181 -10.582 1.00 40.15 H new ATOM 0 HG2 PRO A 33 -0.850 8.105 -12.807 1.00 3.31 H new ATOM 0 HG3 PRO A 33 0.621 7.462 -12.105 1.00 3.31 H new ATOM 0 HD2 PRO A 33 -0.578 6.680 -14.590 1.00 15.14 H new ATOM 0 HD3 PRO A 33 0.827 5.958 -13.831 1.00 15.14 H new ATOM 505 N ALA A 34 -4.136 5.062 -11.518 1.00 41.12 N ATOM 506 CA ALA A 34 -5.570 5.195 -11.711 1.00 1.42 C ATOM 507 C ALA A 34 -5.935 6.680 -11.781 1.00 21.43 C ATOM 508 O ALA A 34 -7.045 7.032 -12.176 1.00 72.42 O ATOM 509 CB ALA A 34 -6.306 4.466 -10.585 1.00 54.23 C ATOM 0 H ALA A 34 -3.863 4.627 -10.637 1.00 41.12 H new ATOM 0 HA ALA A 34 -5.875 4.736 -12.651 1.00 1.42 H new ATOM 0 HB1 ALA A 34 -7.382 4.566 -10.729 1.00 54.23 H new ATOM 0 HB2 ALA A 34 -6.034 3.410 -10.596 1.00 54.23 H new ATOM 0 HB3 ALA A 34 -6.027 4.902 -9.626 1.00 54.23 H new ATOM 515 N GLU A 35 -4.979 7.510 -11.390 1.00 53.23 N ATOM 516 CA GLU A 35 -5.186 8.948 -11.404 1.00 12.34 C ATOM 517 C GLU A 35 -4.986 9.500 -12.816 1.00 50.45 C ATOM 518 O GLU A 35 -5.305 10.657 -13.086 1.00 12.43 O ATOM 519 CB GLU A 35 -4.258 9.645 -10.406 1.00 75.03 C ATOM 520 CG GLU A 35 -2.852 9.808 -10.987 1.00 54.21 C ATOM 521 CD GLU A 35 -1.810 9.932 -9.874 1.00 33.13 C ATOM 522 OE1 GLU A 35 -0.731 9.327 -9.964 1.00 54.44 O ATOM 523 OE2 GLU A 35 -2.153 10.690 -8.888 1.00 33.44 O ATOM 0 H GLU A 35 -4.060 7.214 -11.062 1.00 53.23 H new ATOM 0 HA GLU A 35 -6.213 9.150 -11.099 1.00 12.34 H new ATOM 0 HB2 GLU A 35 -4.664 10.623 -10.148 1.00 75.03 H new ATOM 0 HB3 GLU A 35 -4.209 9.066 -9.484 1.00 75.03 H new ATOM 0 HG2 GLU A 35 -2.614 8.952 -11.619 1.00 54.21 H new ATOM 0 HG3 GLU A 35 -2.818 10.693 -11.623 1.00 54.21 H new ATOM 531 N ASP A 36 -4.459 8.647 -13.682 1.00 23.33 N ATOM 532 CA ASP A 36 -4.212 9.035 -15.060 1.00 72.42 C ATOM 533 C ASP A 36 -5.361 8.536 -15.939 1.00 61.40 C ATOM 534 O ASP A 36 -5.404 8.825 -17.134 1.00 13.44 O ATOM 535 CB ASP A 36 -2.914 8.416 -15.583 1.00 10.14 C ATOM 536 CG ASP A 36 -2.169 9.257 -16.621 1.00 51.31 C ATOM 537 OD1 ASP A 36 -2.572 9.331 -17.791 1.00 54.34 O ATOM 538 OD2 ASP A 36 -1.118 9.862 -16.181 1.00 30.23 O ATOM 0 H ASP A 36 -4.196 7.688 -13.456 1.00 23.33 H new ATOM 0 HA ASP A 36 -4.133 10.122 -15.095 1.00 72.42 H new ATOM 0 HB2 ASP A 36 -2.249 8.236 -14.738 1.00 10.14 H new ATOM 0 HB3 ASP A 36 -3.143 7.445 -16.021 1.00 10.14 H new ATOM 544 N ILE A 37 -6.263 7.794 -15.313 1.00 70.25 N ATOM 545 CA ILE A 37 -7.409 7.252 -16.024 1.00 21.33 C ATOM 546 C ILE A 37 -8.124 8.382 -16.767 1.00 33.23 C ATOM 547 O ILE A 37 -8.421 8.259 -17.954 1.00 32.41 O ATOM 548 CB ILE A 37 -8.315 6.475 -15.066 1.00 2.52 C ATOM 549 CG1 ILE A 37 -7.938 4.993 -15.036 1.00 34.34 C ATOM 550 CG2 ILE A 37 -9.790 6.685 -15.415 1.00 4.54 C ATOM 551 CD1 ILE A 37 -9.053 4.157 -14.403 1.00 61.10 C ATOM 0 H ILE A 37 -6.224 7.556 -14.322 1.00 70.25 H new ATOM 0 HA ILE A 37 -7.086 6.531 -16.775 1.00 21.33 H new ATOM 0 HB ILE A 37 -8.164 6.866 -14.060 1.00 2.52 H new ATOM 0 HG12 ILE A 37 -7.746 4.642 -16.050 1.00 34.34 H new ATOM 0 HG13 ILE A 37 -7.014 4.860 -14.473 1.00 34.34 H new ATOM 0 HG21 ILE A 37 -10.412 6.122 -14.719 1.00 4.54 H new ATOM 0 HG22 ILE A 37 -10.033 7.745 -15.344 1.00 4.54 H new ATOM 0 HG23 ILE A 37 -9.976 6.338 -16.431 1.00 4.54 H new ATOM 0 HD11 ILE A 37 -8.760 3.107 -14.394 1.00 61.10 H new ATOM 0 HD12 ILE A 37 -9.225 4.495 -13.381 1.00 61.10 H new ATOM 0 HD13 ILE A 37 -9.969 4.273 -14.983 1.00 61.10 H new ATOM 563 N PRO A 38 -8.387 9.486 -16.018 1.00 11.15 N ATOM 564 CA PRO A 38 -9.062 10.637 -16.592 1.00 50.24 C ATOM 565 C PRO A 38 -8.117 11.432 -17.496 1.00 0.44 C ATOM 566 O PRO A 38 -8.545 12.352 -18.191 1.00 2.30 O ATOM 567 CB PRO A 38 -9.558 11.438 -15.400 1.00 13.41 C ATOM 568 CG PRO A 38 -8.747 10.957 -14.208 1.00 13.02 C ATOM 569 CD PRO A 38 -8.050 9.667 -14.609 1.00 10.34 C ATOM 0 HA PRO A 38 -9.893 10.357 -17.240 1.00 50.24 H new ATOM 0 HB2 PRO A 38 -9.418 12.507 -15.562 1.00 13.41 H new ATOM 0 HB3 PRO A 38 -10.624 11.277 -15.238 1.00 13.41 H new ATOM 0 HG2 PRO A 38 -8.016 11.711 -13.914 1.00 13.02 H new ATOM 0 HG3 PRO A 38 -9.395 10.789 -13.348 1.00 13.02 H new ATOM 0 HD2 PRO A 38 -6.972 9.738 -14.466 1.00 10.34 H new ATOM 0 HD3 PRO A 38 -8.396 8.826 -14.008 1.00 10.34 H new ATOM 577 N ARG A 39 -6.850 11.049 -17.456 1.00 25.52 N ATOM 578 CA ARG A 39 -5.840 11.714 -18.262 1.00 53.10 C ATOM 579 C ARG A 39 -5.586 10.927 -19.549 1.00 42.44 C ATOM 580 O ARG A 39 -5.114 11.485 -20.539 1.00 12.40 O ATOM 581 CB ARG A 39 -4.526 11.857 -17.492 1.00 12.13 C ATOM 582 CG ARG A 39 -4.713 12.726 -16.246 1.00 64.12 C ATOM 583 CD ARG A 39 -3.454 12.714 -15.376 1.00 32.21 C ATOM 584 NE ARG A 39 -2.488 13.720 -15.870 1.00 23.14 N ATOM 585 CZ ARG A 39 -1.607 13.497 -16.868 1.00 41.21 C ATOM 586 NH1 ARG A 39 -1.563 12.299 -17.489 1.00 14.13 N ATOM 587 NH2 ARG A 39 -0.789 14.468 -17.228 1.00 43.34 N ATOM 0 H ARG A 39 -6.499 10.286 -16.878 1.00 25.52 H new ATOM 0 HA ARG A 39 -6.213 12.708 -18.507 1.00 53.10 H new ATOM 0 HB2 ARG A 39 -4.161 10.872 -17.201 1.00 12.13 H new ATOM 0 HB3 ARG A 39 -3.768 12.300 -18.138 1.00 12.13 H new ATOM 0 HG2 ARG A 39 -4.945 13.749 -16.543 1.00 64.12 H new ATOM 0 HG3 ARG A 39 -5.562 12.362 -15.668 1.00 64.12 H new ATOM 0 HD2 ARG A 39 -3.716 12.928 -14.340 1.00 32.21 H new ATOM 0 HD3 ARG A 39 -3.000 11.723 -15.392 1.00 32.21 H new ATOM 0 HE ARG A 39 -2.488 14.640 -15.429 1.00 23.14 H new ATOM 0 HH11 ARG A 39 -2.199 11.554 -17.205 1.00 14.13 H new ATOM 0 HH12 ARG A 39 -0.894 12.139 -18.242 1.00 14.13 H new ATOM 0 HH21 ARG A 39 -0.829 15.370 -16.754 1.00 43.34 H new ATOM 0 HH22 ARG A 39 -0.117 14.316 -17.980 1.00 43.34 H new ATOM 600 N LEU A 40 -5.909 9.644 -19.495 1.00 34.24 N ATOM 601 CA LEU A 40 -5.722 8.775 -20.644 1.00 62.10 C ATOM 602 C LEU A 40 -6.886 8.967 -21.618 1.00 62.33 C ATOM 603 O LEU A 40 -6.761 8.672 -22.806 1.00 21.01 O ATOM 604 CB LEU A 40 -5.529 7.325 -20.194 1.00 42.41 C ATOM 605 CG LEU A 40 -4.276 7.042 -19.362 1.00 53.41 C ATOM 606 CD1 LEU A 40 -4.422 5.737 -18.578 1.00 72.33 C ATOM 607 CD2 LEU A 40 -3.023 7.047 -20.239 1.00 43.43 C ATOM 0 H LEU A 40 -6.300 9.184 -18.672 1.00 34.24 H new ATOM 0 HA LEU A 40 -4.811 9.042 -21.179 1.00 62.10 H new ATOM 0 HB2 LEU A 40 -6.402 7.026 -19.613 1.00 42.41 H new ATOM 0 HB3 LEU A 40 -5.504 6.691 -21.080 1.00 42.41 H new ATOM 0 HG LEU A 40 -4.162 7.844 -18.633 1.00 53.41 H new ATOM 0 HD11 LEU A 40 -3.518 5.559 -17.995 1.00 72.33 H new ATOM 0 HD12 LEU A 40 -5.278 5.810 -17.907 1.00 72.33 H new ATOM 0 HD13 LEU A 40 -4.574 4.911 -19.272 1.00 72.33 H new ATOM 0 HD21 LEU A 40 -2.147 6.843 -19.623 1.00 43.43 H new ATOM 0 HD22 LEU A 40 -3.113 6.279 -21.007 1.00 43.43 H new ATOM 0 HD23 LEU A 40 -2.914 8.023 -20.713 1.00 43.43 H new ATOM 619 N ILE A 41 -7.991 9.459 -21.080 1.00 14.44 N ATOM 620 CA ILE A 41 -9.177 9.694 -21.887 1.00 21.15 C ATOM 621 C ILE A 41 -8.823 10.628 -23.045 1.00 52.51 C ATOM 622 O ILE A 41 -8.134 11.629 -22.852 1.00 54.21 O ATOM 623 CB ILE A 41 -10.326 10.203 -21.015 1.00 14.14 C ATOM 624 CG1 ILE A 41 -10.543 9.291 -19.805 1.00 5.40 C ATOM 625 CG2 ILE A 41 -11.604 10.376 -21.838 1.00 73.40 C ATOM 626 CD1 ILE A 41 -11.973 9.411 -19.277 1.00 14.43 C ATOM 0 H ILE A 41 -8.091 9.702 -20.094 1.00 14.44 H new ATOM 0 HA ILE A 41 -9.530 8.761 -22.326 1.00 21.15 H new ATOM 0 HB ILE A 41 -10.054 11.186 -20.632 1.00 14.14 H new ATOM 0 HG12 ILE A 41 -10.340 8.257 -20.084 1.00 5.40 H new ATOM 0 HG13 ILE A 41 -9.837 9.553 -19.017 1.00 5.40 H new ATOM 0 HG21 ILE A 41 -12.405 10.739 -21.194 1.00 73.40 H new ATOM 0 HG22 ILE A 41 -11.427 11.095 -22.638 1.00 73.40 H new ATOM 0 HG23 ILE A 41 -11.891 9.417 -22.270 1.00 73.40 H new ATOM 0 HD11 ILE A 41 -12.100 8.753 -18.418 1.00 14.43 H new ATOM 0 HD12 ILE A 41 -12.165 10.441 -18.977 1.00 14.43 H new ATOM 0 HD13 ILE A 41 -12.675 9.125 -20.060 1.00 14.43 H new ATOM 638 N SER A 42 -9.311 10.269 -24.223 1.00 65.24 N ATOM 639 CA SER A 42 -9.054 11.063 -25.413 1.00 75.32 C ATOM 640 C SER A 42 -7.709 10.668 -26.026 1.00 10.42 C ATOM 641 O SER A 42 -7.391 11.068 -27.145 1.00 14.32 O ATOM 642 CB SER A 42 -9.073 12.558 -25.092 1.00 14.42 C ATOM 643 OG SER A 42 -9.498 13.339 -26.206 1.00 61.42 O ATOM 0 H SER A 42 -9.883 9.439 -24.379 1.00 65.24 H new ATOM 0 HA SER A 42 -9.847 10.864 -26.134 1.00 75.32 H new ATOM 0 HB2 SER A 42 -9.738 12.739 -24.248 1.00 14.42 H new ATOM 0 HB3 SER A 42 -8.076 12.876 -24.786 1.00 14.42 H new ATOM 0 HG SER A 42 -9.498 14.288 -25.960 1.00 61.42 H new ATOM 649 N MET A 43 -6.955 9.889 -25.265 1.00 64.34 N ATOM 650 CA MET A 43 -5.651 9.436 -25.719 1.00 63.14 C ATOM 651 C MET A 43 -5.723 8.004 -26.254 1.00 10.02 C ATOM 652 O MET A 43 -6.327 7.134 -25.628 1.00 64.21 O ATOM 653 CB MET A 43 -4.656 9.498 -24.559 1.00 1.14 C ATOM 654 CG MET A 43 -4.887 10.747 -23.705 1.00 62.20 C ATOM 655 SD MET A 43 -3.326 11.375 -23.108 1.00 54.54 S ATOM 656 CE MET A 43 -2.482 9.840 -22.771 1.00 61.52 C ATOM 0 H MET A 43 -7.222 9.560 -24.337 1.00 64.34 H new ATOM 0 HA MET A 43 -5.322 10.090 -26.527 1.00 63.14 H new ATOM 0 HB2 MET A 43 -4.757 8.606 -23.940 1.00 1.14 H new ATOM 0 HB3 MET A 43 -3.638 9.502 -24.948 1.00 1.14 H new ATOM 0 HG2 MET A 43 -5.395 11.511 -24.293 1.00 62.20 H new ATOM 0 HG3 MET A 43 -5.538 10.507 -22.864 1.00 62.20 H new ATOM 0 HE1 MET A 43 -1.859 9.955 -21.884 1.00 61.52 H new ATOM 0 HE2 MET A 43 -3.215 9.052 -22.600 1.00 61.52 H new ATOM 0 HE3 MET A 43 -1.856 9.574 -23.623 1.00 61.52 H new ATOM 666 N GLN A 44 -5.099 7.804 -27.405 1.00 51.04 N ATOM 667 CA GLN A 44 -5.085 6.493 -28.031 1.00 71.31 C ATOM 668 C GLN A 44 -3.833 5.719 -27.614 1.00 30.32 C ATOM 669 O GLN A 44 -2.802 6.317 -27.309 1.00 71.43 O ATOM 670 CB GLN A 44 -5.174 6.611 -29.554 1.00 35.22 C ATOM 671 CG GLN A 44 -6.307 7.554 -29.965 1.00 43.22 C ATOM 672 CD GLN A 44 -6.161 7.980 -31.427 1.00 53.25 C ATOM 673 OE1 GLN A 44 -5.532 8.974 -31.752 1.00 32.02 O ATOM 674 NE2 GLN A 44 -6.777 7.175 -32.289 1.00 45.32 N ATOM 0 H GLN A 44 -4.599 8.528 -27.921 1.00 51.04 H new ATOM 0 HA GLN A 44 -5.961 5.941 -27.690 1.00 71.31 H new ATOM 0 HB2 GLN A 44 -4.228 6.979 -29.950 1.00 35.22 H new ATOM 0 HB3 GLN A 44 -5.340 5.626 -29.990 1.00 35.22 H new ATOM 0 HG2 GLN A 44 -7.267 7.059 -29.821 1.00 43.22 H new ATOM 0 HG3 GLN A 44 -6.303 8.435 -29.323 1.00 43.22 H new ATOM 0 HE21 GLN A 44 -7.287 6.359 -31.950 1.00 45.32 H new ATOM 0 HE22 GLN A 44 -6.740 7.374 -33.289 1.00 45.32 H new ATOM 683 N VAL A 45 -3.964 4.400 -27.613 1.00 40.30 N ATOM 684 CA VAL A 45 -2.856 3.538 -27.238 1.00 41.41 C ATOM 685 C VAL A 45 -1.963 3.302 -28.458 1.00 54.42 C ATOM 686 O VAL A 45 -2.436 3.337 -29.593 1.00 41.04 O ATOM 687 CB VAL A 45 -3.386 2.241 -26.625 1.00 74.45 C ATOM 688 CG1 VAL A 45 -4.052 2.505 -25.274 1.00 34.44 C ATOM 689 CG2 VAL A 45 -4.349 1.536 -27.583 1.00 75.00 C ATOM 0 H VAL A 45 -4.821 3.908 -27.866 1.00 40.30 H new ATOM 0 HA VAL A 45 -2.243 4.016 -26.474 1.00 41.41 H new ATOM 0 HB VAL A 45 -2.537 1.579 -26.456 1.00 74.45 H new ATOM 0 HG11 VAL A 45 -4.420 1.566 -24.860 1.00 34.44 H new ATOM 0 HG12 VAL A 45 -3.326 2.943 -24.590 1.00 34.44 H new ATOM 0 HG13 VAL A 45 -4.886 3.194 -25.408 1.00 34.44 H new ATOM 0 HG21 VAL A 45 -4.711 0.617 -27.123 1.00 75.00 H new ATOM 0 HG22 VAL A 45 -5.193 2.191 -27.798 1.00 75.00 H new ATOM 0 HG23 VAL A 45 -3.829 1.297 -28.511 1.00 75.00 H new ATOM 699 N ASN A 46 -0.689 3.068 -28.183 1.00 21.23 N ATOM 700 CA ASN A 46 0.274 2.826 -29.244 1.00 11.22 C ATOM 701 C ASN A 46 0.564 1.327 -29.331 1.00 65.42 C ATOM 702 O ASN A 46 1.684 0.925 -29.645 1.00 72.23 O ATOM 703 CB ASN A 46 1.594 3.548 -28.965 1.00 33.12 C ATOM 704 CG ASN A 46 2.269 2.991 -27.710 1.00 15.14 C ATOM 705 OD1 ASN A 46 2.437 1.794 -27.543 1.00 12.31 O ATOM 706 ND2 ASN A 46 2.644 3.923 -26.839 1.00 3.33 N ATOM 0 H ASN A 46 -0.301 3.041 -27.240 1.00 21.23 H new ATOM 0 HA ASN A 46 -0.150 3.198 -30.176 1.00 11.22 H new ATOM 0 HB2 ASN A 46 2.261 3.438 -29.820 1.00 33.12 H new ATOM 0 HB3 ASN A 46 1.410 4.615 -28.840 1.00 33.12 H new ATOM 0 HD21 ASN A 46 3.103 3.653 -25.969 1.00 3.33 H new ATOM 0 HD22 ASN A 46 2.473 4.908 -27.041 1.00 3.33 H new ATOM 713 N GLN A 47 -0.463 0.540 -29.048 1.00 31.34 N ATOM 714 CA GLN A 47 -0.332 -0.907 -29.090 1.00 51.22 C ATOM 715 C GLN A 47 -1.671 -1.571 -28.762 1.00 1.20 C ATOM 716 O GLN A 47 -2.521 -0.971 -28.105 1.00 64.40 O ATOM 717 CB GLN A 47 0.766 -1.386 -28.138 1.00 74.25 C ATOM 718 CG GLN A 47 0.605 -2.874 -27.821 1.00 72.32 C ATOM 719 CD GLN A 47 1.786 -3.390 -26.997 1.00 1.24 C ATOM 720 OE1 GLN A 47 2.375 -4.419 -27.284 1.00 41.12 O ATOM 721 NE2 GLN A 47 2.098 -2.619 -25.958 1.00 63.44 N ATOM 0 H GLN A 47 -1.390 0.877 -28.789 1.00 31.34 H new ATOM 0 HA GLN A 47 -0.043 -1.197 -30.100 1.00 51.22 H new ATOM 0 HB2 GLN A 47 1.744 -1.210 -28.586 1.00 74.25 H new ATOM 0 HB3 GLN A 47 0.730 -0.808 -27.215 1.00 74.25 H new ATOM 0 HG2 GLN A 47 -0.323 -3.034 -27.273 1.00 72.32 H new ATOM 0 HG3 GLN A 47 0.529 -3.441 -28.749 1.00 72.32 H new ATOM 0 HE21 GLN A 47 1.563 -1.770 -25.774 1.00 63.44 H new ATOM 0 HE22 GLN A 47 2.872 -2.877 -25.345 1.00 63.44 H new ATOM 730 N VAL A 48 -1.817 -2.800 -29.234 1.00 40.04 N ATOM 731 CA VAL A 48 -3.038 -3.552 -28.999 1.00 41.13 C ATOM 732 C VAL A 48 -3.047 -4.063 -27.557 1.00 54.12 C ATOM 733 O VAL A 48 -2.458 -5.100 -27.259 1.00 24.24 O ATOM 734 CB VAL A 48 -3.169 -4.673 -30.032 1.00 21.41 C ATOM 735 CG1 VAL A 48 -4.045 -5.809 -29.500 1.00 13.12 C ATOM 736 CG2 VAL A 48 -3.712 -4.137 -31.358 1.00 65.00 C ATOM 0 H VAL A 48 -1.110 -3.294 -29.778 1.00 40.04 H new ATOM 0 HA VAL A 48 -3.911 -2.911 -29.122 1.00 41.13 H new ATOM 0 HB VAL A 48 -2.173 -5.076 -30.217 1.00 21.41 H new ATOM 0 HG11 VAL A 48 -4.122 -6.593 -30.254 1.00 13.12 H new ATOM 0 HG12 VAL A 48 -3.599 -6.219 -28.594 1.00 13.12 H new ATOM 0 HG13 VAL A 48 -5.040 -5.426 -29.273 1.00 13.12 H new ATOM 0 HG21 VAL A 48 -3.795 -4.954 -32.074 1.00 65.00 H new ATOM 0 HG22 VAL A 48 -4.695 -3.695 -31.196 1.00 65.00 H new ATOM 0 HG23 VAL A 48 -3.033 -3.379 -31.749 1.00 65.00 H new ATOM 746 N VAL A 49 -3.723 -3.311 -26.701 1.00 55.02 N ATOM 747 CA VAL A 49 -3.817 -3.675 -25.298 1.00 15.24 C ATOM 748 C VAL A 49 -5.115 -4.451 -25.062 1.00 62.02 C ATOM 749 O VAL A 49 -6.206 -3.896 -25.186 1.00 25.21 O ATOM 750 CB VAL A 49 -3.702 -2.424 -24.424 1.00 33.01 C ATOM 751 CG1 VAL A 49 -3.841 -2.776 -22.941 1.00 70.15 C ATOM 752 CG2 VAL A 49 -2.388 -1.687 -24.692 1.00 35.21 C ATOM 0 H VAL A 49 -4.211 -2.451 -26.952 1.00 55.02 H new ATOM 0 HA VAL A 49 -2.991 -4.329 -25.017 1.00 15.24 H new ATOM 0 HB VAL A 49 -4.521 -1.755 -24.687 1.00 33.01 H new ATOM 0 HG11 VAL A 49 -3.755 -1.869 -22.342 1.00 70.15 H new ATOM 0 HG12 VAL A 49 -4.813 -3.236 -22.766 1.00 70.15 H new ATOM 0 HG13 VAL A 49 -3.053 -3.474 -22.657 1.00 70.15 H new ATOM 0 HG21 VAL A 49 -2.331 -0.802 -24.058 1.00 35.21 H new ATOM 0 HG22 VAL A 49 -1.549 -2.347 -24.470 1.00 35.21 H new ATOM 0 HG23 VAL A 49 -2.346 -1.387 -25.739 1.00 35.21 H new ATOM 762 N PRO A 50 -4.949 -5.756 -24.718 1.00 72.31 N ATOM 763 CA PRO A 50 -6.094 -6.614 -24.464 1.00 61.43 C ATOM 764 C PRO A 50 -6.724 -6.300 -23.106 1.00 32.41 C ATOM 765 O PRO A 50 -6.089 -5.686 -22.250 1.00 54.43 O ATOM 766 CB PRO A 50 -5.551 -8.031 -24.554 1.00 30.30 C ATOM 767 CG PRO A 50 -4.044 -7.911 -24.393 1.00 33.31 C ATOM 768 CD PRO A 50 -3.673 -6.447 -24.562 1.00 64.32 C ATOM 0 HA PRO A 50 -6.900 -6.464 -25.183 1.00 61.43 H new ATOM 0 HB2 PRO A 50 -5.978 -8.663 -23.775 1.00 30.30 H new ATOM 0 HB3 PRO A 50 -5.807 -8.487 -25.510 1.00 30.30 H new ATOM 0 HG2 PRO A 50 -3.735 -8.272 -23.412 1.00 33.31 H new ATOM 0 HG3 PRO A 50 -3.531 -8.523 -25.135 1.00 33.31 H new ATOM 0 HD2 PRO A 50 -3.125 -6.075 -23.696 1.00 64.32 H new ATOM 0 HD3 PRO A 50 -3.034 -6.299 -25.432 1.00 64.32 H new ATOM 776 N MET A 51 -7.965 -6.737 -22.950 1.00 53.12 N ATOM 777 CA MET A 51 -8.688 -6.510 -21.710 1.00 74.24 C ATOM 778 C MET A 51 -8.006 -7.220 -20.540 1.00 23.53 C ATOM 779 O MET A 51 -7.859 -8.442 -20.550 1.00 42.44 O ATOM 780 CB MET A 51 -10.122 -7.025 -21.854 1.00 51.10 C ATOM 781 CG MET A 51 -10.913 -6.813 -20.561 1.00 63.03 C ATOM 782 SD MET A 51 -12.588 -7.392 -20.768 1.00 72.35 S ATOM 783 CE MET A 51 -12.283 -9.127 -21.059 1.00 1.12 C ATOM 0 H MET A 51 -8.488 -7.247 -23.662 1.00 53.12 H new ATOM 0 HA MET A 51 -8.695 -5.439 -21.506 1.00 74.24 H new ATOM 0 HB2 MET A 51 -10.617 -6.508 -22.676 1.00 51.10 H new ATOM 0 HB3 MET A 51 -10.108 -8.085 -22.106 1.00 51.10 H new ATOM 0 HG2 MET A 51 -10.434 -7.347 -19.740 1.00 63.03 H new ATOM 0 HG3 MET A 51 -10.915 -5.756 -20.296 1.00 63.03 H new ATOM 0 HE1 MET A 51 -13.169 -9.702 -20.791 1.00 1.12 H new ATOM 0 HE2 MET A 51 -12.053 -9.284 -22.113 1.00 1.12 H new ATOM 0 HE3 MET A 51 -11.440 -9.455 -20.451 1.00 1.12 H new ATOM 793 N GLY A 52 -7.607 -6.425 -19.558 1.00 63.11 N ATOM 794 CA GLY A 52 -6.943 -6.962 -18.382 1.00 60.45 C ATOM 795 C GLY A 52 -5.445 -6.651 -18.408 1.00 71.21 C ATOM 796 O GLY A 52 -4.748 -6.858 -17.416 1.00 44.42 O ATOM 0 H GLY A 52 -7.731 -5.413 -19.553 1.00 63.11 H new ATOM 0 HA2 GLY A 52 -7.390 -6.539 -17.483 1.00 60.45 H new ATOM 0 HA3 GLY A 52 -7.093 -8.041 -18.336 1.00 60.45 H new ATOM 800 N THR A 53 -4.995 -6.160 -19.553 1.00 41.51 N ATOM 801 CA THR A 53 -3.593 -5.818 -19.721 1.00 3.21 C ATOM 802 C THR A 53 -3.300 -4.449 -19.104 1.00 2.22 C ATOM 803 O THR A 53 -3.824 -3.434 -19.559 1.00 41.53 O ATOM 804 CB THR A 53 -3.263 -5.895 -21.213 1.00 4.21 C ATOM 805 OG1 THR A 53 -3.285 -7.290 -21.502 1.00 13.02 O ATOM 806 CG2 THR A 53 -1.823 -5.475 -21.517 1.00 10.24 C ATOM 0 H THR A 53 -5.577 -5.991 -20.374 1.00 41.51 H new ATOM 0 HA THR A 53 -2.949 -6.522 -19.194 1.00 3.21 H new ATOM 0 HB THR A 53 -3.952 -5.260 -21.770 1.00 4.21 H new ATOM 0 HG1 THR A 53 -2.434 -7.553 -21.910 1.00 13.02 H new ATOM 0 HG21 THR A 53 -1.641 -5.548 -22.589 1.00 10.24 H new ATOM 0 HG22 THR A 53 -1.668 -4.446 -21.192 1.00 10.24 H new ATOM 0 HG23 THR A 53 -1.133 -6.131 -20.987 1.00 10.24 H new ATOM 814 N THR A 54 -2.464 -4.465 -18.076 1.00 65.33 N ATOM 815 CA THR A 54 -2.095 -3.238 -17.392 1.00 4.31 C ATOM 816 C THR A 54 -1.656 -2.175 -18.402 1.00 32.34 C ATOM 817 O THR A 54 -0.925 -2.474 -19.344 1.00 61.05 O ATOM 818 CB THR A 54 -1.017 -3.577 -16.360 1.00 61.14 C ATOM 819 OG1 THR A 54 -1.556 -4.687 -15.647 1.00 51.40 O ATOM 820 CG2 THR A 54 -0.862 -2.489 -15.296 1.00 31.34 C ATOM 0 H THR A 54 -2.032 -5.309 -17.700 1.00 65.33 H new ATOM 0 HA THR A 54 -2.947 -2.808 -16.865 1.00 4.31 H new ATOM 0 HB THR A 54 -0.064 -3.727 -16.867 1.00 61.14 H new ATOM 0 HG1 THR A 54 -0.825 -5.224 -15.276 1.00 51.40 H new ATOM 0 HG21 THR A 54 -0.085 -2.779 -14.589 1.00 31.34 H new ATOM 0 HG22 THR A 54 -0.585 -1.549 -15.774 1.00 31.34 H new ATOM 0 HG23 THR A 54 -1.806 -2.362 -14.766 1.00 31.34 H new ATOM 828 N LEU A 55 -2.122 -0.957 -18.170 1.00 4.33 N ATOM 829 CA LEU A 55 -1.787 0.152 -19.047 1.00 63.14 C ATOM 830 C LEU A 55 -0.434 0.735 -18.633 1.00 32.45 C ATOM 831 O LEU A 55 -0.142 0.848 -17.443 1.00 43.22 O ATOM 832 CB LEU A 55 -2.919 1.180 -19.067 1.00 53.44 C ATOM 833 CG LEU A 55 -3.843 1.138 -20.287 1.00 24.33 C ATOM 834 CD1 LEU A 55 -4.785 2.343 -20.303 1.00 61.23 C ATOM 835 CD2 LEU A 55 -3.036 1.023 -21.582 1.00 2.13 C ATOM 0 H LEU A 55 -2.729 -0.713 -17.387 1.00 4.33 H new ATOM 0 HA LEU A 55 -1.683 -0.194 -20.075 1.00 63.14 H new ATOM 0 HB2 LEU A 55 -3.525 1.041 -18.172 1.00 53.44 H new ATOM 0 HB3 LEU A 55 -2.480 2.176 -19.003 1.00 53.44 H new ATOM 0 HG LEU A 55 -4.464 0.245 -20.215 1.00 24.33 H new ATOM 0 HD11 LEU A 55 -5.430 2.289 -21.180 1.00 61.23 H new ATOM 0 HD12 LEU A 55 -5.397 2.338 -19.401 1.00 61.23 H new ATOM 0 HD13 LEU A 55 -4.200 3.262 -20.340 1.00 61.23 H new ATOM 0 HD21 LEU A 55 -3.716 0.995 -22.433 1.00 2.13 H new ATOM 0 HD22 LEU A 55 -2.373 1.883 -21.675 1.00 2.13 H new ATOM 0 HD23 LEU A 55 -2.443 0.109 -21.561 1.00 2.13 H new ATOM 847 N MET A 56 0.355 1.088 -19.636 1.00 53.44 N ATOM 848 CA MET A 56 1.669 1.656 -19.391 1.00 4.51 C ATOM 849 C MET A 56 1.760 3.084 -19.934 1.00 10.12 C ATOM 850 O MET A 56 0.972 3.476 -20.793 1.00 1.50 O ATOM 851 CB MET A 56 2.735 0.787 -20.061 1.00 32.30 C ATOM 852 CG MET A 56 2.868 -0.562 -19.350 1.00 43.32 C ATOM 853 SD MET A 56 4.238 -0.516 -18.206 1.00 53.32 S ATOM 854 CE MET A 56 3.352 -0.608 -16.659 1.00 3.30 C ATOM 0 H MET A 56 0.109 0.992 -20.621 1.00 53.44 H new ATOM 0 HA MET A 56 1.835 1.685 -18.314 1.00 4.51 H new ATOM 0 HB2 MET A 56 2.474 0.627 -21.107 1.00 32.30 H new ATOM 0 HB3 MET A 56 3.694 1.306 -20.047 1.00 32.30 H new ATOM 0 HG2 MET A 56 1.946 -0.794 -18.817 1.00 43.32 H new ATOM 0 HG3 MET A 56 3.021 -1.355 -20.082 1.00 43.32 H new ATOM 0 HE1 MET A 56 4.016 -0.326 -15.842 1.00 3.30 H new ATOM 0 HE2 MET A 56 2.501 0.073 -16.686 1.00 3.30 H new ATOM 0 HE3 MET A 56 2.997 -1.627 -16.503 1.00 3.30 H new ATOM 864 N PRO A 57 2.753 3.842 -19.396 1.00 64.52 N ATOM 865 CA PRO A 57 2.957 5.217 -19.818 1.00 2.04 C ATOM 866 C PRO A 57 3.613 5.276 -21.199 1.00 34.00 C ATOM 867 O PRO A 57 3.557 6.303 -21.873 1.00 55.22 O ATOM 868 CB PRO A 57 3.813 5.840 -18.727 1.00 23.21 C ATOM 869 CG PRO A 57 4.443 4.677 -17.976 1.00 54.53 C ATOM 870 CD PRO A 57 3.705 3.410 -18.377 1.00 4.12 C ATOM 0 HA PRO A 57 2.022 5.764 -19.934 1.00 2.04 H new ATOM 0 HB2 PRO A 57 4.577 6.489 -19.153 1.00 23.21 H new ATOM 0 HB3 PRO A 57 3.209 6.454 -18.060 1.00 23.21 H new ATOM 0 HG2 PRO A 57 5.502 4.595 -18.219 1.00 54.53 H new ATOM 0 HG3 PRO A 57 4.374 4.835 -16.900 1.00 54.53 H new ATOM 0 HD2 PRO A 57 4.391 2.659 -18.769 1.00 4.12 H new ATOM 0 HD3 PRO A 57 3.196 2.962 -17.524 1.00 4.12 H new ATOM 878 N ASP A 58 4.219 4.161 -21.579 1.00 73.12 N ATOM 879 CA ASP A 58 4.884 4.073 -22.868 1.00 72.31 C ATOM 880 C ASP A 58 3.993 3.302 -23.845 1.00 3.30 C ATOM 881 O ASP A 58 4.428 2.949 -24.940 1.00 72.21 O ATOM 882 CB ASP A 58 6.214 3.326 -22.751 1.00 40.04 C ATOM 883 CG ASP A 58 7.022 3.239 -24.047 1.00 65.24 C ATOM 884 OD1 ASP A 58 6.674 3.863 -25.061 1.00 2.14 O ATOM 885 OD2 ASP A 58 8.065 2.481 -23.990 1.00 33.22 O ATOM 0 H ASP A 58 4.264 3.311 -21.017 1.00 73.12 H new ATOM 0 HA ASP A 58 5.070 5.087 -23.222 1.00 72.31 H new ATOM 0 HB2 ASP A 58 6.824 3.817 -21.992 1.00 40.04 H new ATOM 0 HB3 ASP A 58 6.016 2.315 -22.395 1.00 40.04 H new ATOM 891 N MET A 59 2.763 3.065 -23.413 1.00 64.24 N ATOM 892 CA MET A 59 1.808 2.343 -24.236 1.00 71.23 C ATOM 893 C MET A 59 0.677 3.264 -24.700 1.00 24.30 C ATOM 894 O MET A 59 -0.313 2.801 -25.263 1.00 54.01 O ATOM 895 CB MET A 59 1.222 1.178 -23.436 1.00 10.13 C ATOM 896 CG MET A 59 2.066 -0.086 -23.610 1.00 31.32 C ATOM 897 SD MET A 59 1.068 -1.534 -23.302 1.00 13.33 S ATOM 898 CE MET A 59 0.122 -0.965 -21.899 1.00 12.02 C ATOM 0 H MET A 59 2.406 3.360 -22.504 1.00 64.24 H new ATOM 0 HA MET A 59 2.328 1.965 -25.116 1.00 71.23 H new ATOM 0 HB2 MET A 59 1.174 1.445 -22.380 1.00 10.13 H new ATOM 0 HB3 MET A 59 0.200 0.985 -23.763 1.00 10.13 H new ATOM 0 HG2 MET A 59 2.475 -0.124 -24.620 1.00 31.32 H new ATOM 0 HG3 MET A 59 2.913 -0.065 -22.924 1.00 31.32 H new ATOM 0 HE1 MET A 59 -0.631 -1.710 -21.642 1.00 12.02 H new ATOM 0 HE2 MET A 59 0.787 -0.813 -21.049 1.00 12.02 H new ATOM 0 HE3 MET A 59 -0.369 -0.024 -22.148 1.00 12.02 H new ATOM 908 N VAL A 60 0.864 4.551 -24.446 1.00 32.41 N ATOM 909 CA VAL A 60 -0.128 5.541 -24.830 1.00 70.52 C ATOM 910 C VAL A 60 0.564 6.693 -25.560 1.00 44.21 C ATOM 911 O VAL A 60 1.652 7.115 -25.170 1.00 51.42 O ATOM 912 CB VAL A 60 -0.914 5.998 -23.600 1.00 54.31 C ATOM 913 CG1 VAL A 60 -2.093 6.887 -24.002 1.00 72.25 C ATOM 914 CG2 VAL A 60 -1.387 4.800 -22.775 1.00 13.14 C ATOM 0 H VAL A 60 1.687 4.931 -23.979 1.00 32.41 H new ATOM 0 HA VAL A 60 -0.853 5.108 -25.520 1.00 70.52 H new ATOM 0 HB VAL A 60 -0.245 6.591 -22.976 1.00 54.31 H new ATOM 0 HG11 VAL A 60 -2.635 7.198 -23.109 1.00 72.25 H new ATOM 0 HG12 VAL A 60 -1.722 7.768 -24.527 1.00 72.25 H new ATOM 0 HG13 VAL A 60 -2.762 6.329 -24.657 1.00 72.25 H new ATOM 0 HG21 VAL A 60 -1.943 5.153 -21.907 1.00 13.14 H new ATOM 0 HG22 VAL A 60 -2.032 4.169 -23.387 1.00 13.14 H new ATOM 0 HG23 VAL A 60 -0.524 4.223 -22.443 1.00 13.14 H new ATOM 924 N LYS A 61 -0.094 7.169 -26.606 1.00 51.45 N ATOM 925 CA LYS A 61 0.445 8.265 -27.394 1.00 55.05 C ATOM 926 C LYS A 61 0.000 9.595 -26.782 1.00 74.33 C ATOM 927 O LYS A 61 -1.069 9.678 -26.178 1.00 64.42 O ATOM 928 CB LYS A 61 0.059 8.106 -28.867 1.00 1.24 C ATOM 929 CG LYS A 61 0.566 6.775 -29.426 1.00 12.15 C ATOM 930 CD LYS A 61 0.542 6.778 -30.955 1.00 52.13 C ATOM 931 CE LYS A 61 -0.153 5.527 -31.495 1.00 75.32 C ATOM 932 NZ LYS A 61 0.844 4.558 -32.002 1.00 32.52 N ATOM 0 H LYS A 61 -0.996 6.816 -26.927 1.00 51.45 H new ATOM 0 HA LYS A 61 1.535 8.252 -27.370 1.00 55.05 H new ATOM 0 HB2 LYS A 61 -1.025 8.159 -28.970 1.00 1.24 H new ATOM 0 HB3 LYS A 61 0.475 8.930 -29.447 1.00 1.24 H new ATOM 0 HG2 LYS A 61 1.582 6.592 -29.075 1.00 12.15 H new ATOM 0 HG3 LYS A 61 -0.052 5.960 -29.051 1.00 12.15 H new ATOM 0 HD2 LYS A 61 0.025 7.668 -31.312 1.00 52.13 H new ATOM 0 HD3 LYS A 61 1.561 6.826 -31.338 1.00 52.13 H new ATOM 0 HE2 LYS A 61 -0.749 5.066 -30.707 1.00 75.32 H new ATOM 0 HE3 LYS A 61 -0.841 5.802 -32.295 1.00 75.32 H new ATOM 0 HZ1 LYS A 61 0.445 3.598 -31.967 1.00 32.52 H new ATOM 0 HZ2 LYS A 61 1.090 4.795 -32.984 1.00 32.52 H new ATOM 0 HZ3 LYS A 61 1.699 4.599 -31.412 1.00 32.52 H new ATOM 945 N GLY A 62 0.842 10.602 -26.960 1.00 15.34 N ATOM 946 CA GLY A 62 0.548 11.924 -26.432 1.00 45.12 C ATOM 947 C GLY A 62 0.325 11.874 -24.919 1.00 62.24 C ATOM 948 O GLY A 62 -0.220 12.810 -24.337 1.00 74.13 O ATOM 0 H GLY A 62 1.727 10.530 -27.462 1.00 15.34 H new ATOM 0 HA2 GLY A 62 1.371 12.601 -26.660 1.00 45.12 H new ATOM 0 HA3 GLY A 62 -0.340 12.325 -26.921 1.00 45.12 H new ATOM 952 N TYR A 63 0.759 10.771 -24.326 1.00 14.42 N ATOM 953 CA TYR A 63 0.613 10.587 -22.892 1.00 31.40 C ATOM 954 C TYR A 63 1.743 11.283 -22.132 1.00 3.33 C ATOM 955 O TYR A 63 2.687 11.787 -22.739 1.00 55.25 O ATOM 956 CB TYR A 63 0.705 9.079 -22.650 1.00 30.24 C ATOM 957 CG TYR A 63 0.939 8.697 -21.187 1.00 24.13 C ATOM 958 CD1 TYR A 63 2.223 8.648 -20.683 1.00 45.44 C ATOM 959 CD2 TYR A 63 -0.133 8.401 -20.370 1.00 74.13 C ATOM 960 CE1 TYR A 63 2.444 8.289 -19.307 1.00 21.04 C ATOM 961 CE2 TYR A 63 0.087 8.041 -18.993 1.00 42.55 C ATOM 962 CZ TYR A 63 1.365 8.003 -18.530 1.00 1.24 C ATOM 963 OH TYR A 63 1.573 7.664 -17.229 1.00 65.32 O ATOM 0 H TYR A 63 1.211 9.997 -24.812 1.00 14.42 H new ATOM 0 HA TYR A 63 -0.329 11.010 -22.544 1.00 31.40 H new ATOM 0 HB2 TYR A 63 -0.216 8.609 -22.995 1.00 30.24 H new ATOM 0 HB3 TYR A 63 1.516 8.673 -23.255 1.00 30.24 H new ATOM 0 HD1 TYR A 63 3.063 8.879 -21.322 1.00 45.44 H new ATOM 0 HD2 TYR A 63 -1.138 8.439 -20.764 1.00 74.13 H new ATOM 0 HE1 TYR A 63 3.444 8.248 -18.901 1.00 21.04 H new ATOM 0 HE2 TYR A 63 -0.743 7.807 -18.343 1.00 42.55 H new ATOM 0 HH TYR A 63 0.712 7.488 -16.795 1.00 65.32 H new ATOM 973 N ALA A 64 1.611 11.289 -20.813 1.00 52.45 N ATOM 974 CA ALA A 64 2.609 11.916 -19.964 1.00 24.22 C ATOM 975 C ALA A 64 2.093 11.960 -18.524 1.00 54.34 C ATOM 976 O ALA A 64 0.886 12.033 -18.296 1.00 61.52 O ATOM 977 CB ALA A 64 2.942 13.307 -20.507 1.00 70.11 C ATOM 0 H ALA A 64 0.828 10.869 -20.312 1.00 52.45 H new ATOM 0 HA ALA A 64 3.532 11.337 -19.966 1.00 24.22 H new ATOM 0 HB1 ALA A 64 3.691 13.777 -19.869 1.00 70.11 H new ATOM 0 HB2 ALA A 64 3.333 13.218 -21.521 1.00 70.11 H new ATOM 0 HB3 ALA A 64 2.040 13.919 -20.518 1.00 70.11 H new ATOM 983 N PRO A 65 3.056 11.914 -17.566 1.00 44.11 N ATOM 984 CA PRO A 65 2.711 11.948 -16.155 1.00 41.31 C ATOM 985 C PRO A 65 2.302 13.358 -15.725 1.00 0.53 C ATOM 986 O PRO A 65 2.486 14.318 -16.473 1.00 32.53 O ATOM 987 CB PRO A 65 3.950 11.443 -15.434 1.00 44.34 C ATOM 988 CG PRO A 65 5.095 11.586 -16.424 1.00 63.01 C ATOM 989 CD PRO A 65 4.495 11.828 -17.799 1.00 41.43 C ATOM 0 HA PRO A 65 1.848 11.326 -15.918 1.00 41.31 H new ATOM 0 HB2 PRO A 65 4.140 12.023 -14.531 1.00 44.34 H new ATOM 0 HB3 PRO A 65 3.827 10.405 -15.126 1.00 44.34 H new ATOM 0 HG2 PRO A 65 5.744 12.414 -16.140 1.00 63.01 H new ATOM 0 HG3 PRO A 65 5.710 10.686 -16.429 1.00 63.01 H new ATOM 0 HD2 PRO A 65 4.880 12.746 -18.243 1.00 41.43 H new ATOM 0 HD3 PRO A 65 4.737 11.016 -18.485 1.00 41.43 H new