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 -140:sc= -1.75 USER MOD Set 1.2: A 21 MET CE :methyl -167:sc= -4.97! (180deg=-5.65!) USER MOD Set 2.1: A 14 ASN : amide:sc= -3.46! K(o=-6.2!,f=-2.6) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 144:sc= -2.69! (180deg=-4.52!) USER MOD Set 3.1: A 2 GLN : amide:sc= -5.91! C(o=-5.1!,f=-14!) USER MOD Set 3.2: A 4 SER OG : rot -70:sc= 0.775 USER MOD Single : A 15 THR OG1 : rot 71:sc= -0.459 USER MOD Single : A 22 MET CE :methyl -171:sc= -4.26! (180deg=-4.82) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 24 THR OG1 : rot 28:sc= 0.303 USER MOD Single : A 28 SER OG : rot 180:sc= -0.362 USER MOD Single : A 30 THR OG1 : rot 49:sc= 0.193 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -148:sc= -8.64! (180deg=-17.1!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -2.01! C(o=-2!,f=-4.2!) USER MOD Single : A 47 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.57) USER MOD Single : A 51 MET CE :methyl -166:sc= -1.94 (180deg=-2.55!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.23 USER MOD Single : A 54 THR OG1 : rot 160:sc= -4.41! USER MOD Single : A 56 MET CE :methyl -164:sc= -3.61! (180deg=-4.05!) USER MOD Single : A 59 MET CE :methyl 171:sc= -5.45! (180deg=-5.82!) USER MOD Single : A 63 TYR OH : rot 150:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.008 0.092 -4.940 1.00 25.22 N ATOM 33 CA GLN A 2 -1.536 1.224 -5.682 1.00 70.41 C ATOM 34 C GLN A 2 -2.290 0.740 -6.922 1.00 60.44 C ATOM 35 O GLN A 2 -1.797 -0.113 -7.659 1.00 72.13 O ATOM 36 CB GLN A 2 -0.420 2.198 -6.064 1.00 71.13 C ATOM 37 CG GLN A 2 0.285 1.749 -7.346 1.00 31.22 C ATOM 38 CD GLN A 2 -0.540 2.114 -8.582 1.00 25.01 C ATOM 39 OE1 GLN A 2 -0.851 1.284 -9.420 1.00 23.41 O ATOM 40 NE2 GLN A 2 -0.875 3.399 -8.648 1.00 42.32 N ATOM 0 HA GLN A 2 -2.236 1.759 -5.041 1.00 70.41 H new ATOM 0 HB2 GLN A 2 -0.836 3.196 -6.204 1.00 71.13 H new ATOM 0 HB3 GLN A 2 0.303 2.265 -5.251 1.00 71.13 H new ATOM 0 HG2 GLN A 2 1.267 2.218 -7.408 1.00 31.22 H new ATOM 0 HG3 GLN A 2 0.447 0.672 -7.318 1.00 31.22 H new ATOM 0 HE21 GLN A 2 -0.582 4.041 -7.912 1.00 42.32 H new ATOM 0 HE22 GLN A 2 -1.425 3.743 -9.435 1.00 42.32 H new ATOM 49 N GLU A 3 -3.473 1.305 -7.115 1.00 23.13 N ATOM 50 CA GLU A 3 -4.300 0.942 -8.253 1.00 65.41 C ATOM 51 C GLU A 3 -3.650 1.418 -9.554 1.00 71.41 C ATOM 52 O GLU A 3 -3.205 2.560 -9.648 1.00 3.31 O ATOM 53 CB GLU A 3 -5.713 1.508 -8.107 1.00 32.11 C ATOM 54 CG GLU A 3 -6.624 0.525 -7.368 1.00 60.13 C ATOM 55 CD GLU A 3 -8.039 1.089 -7.227 1.00 72.12 C ATOM 56 OE1 GLU A 3 -8.205 2.281 -6.929 1.00 24.05 O ATOM 57 OE2 GLU A 3 -8.988 0.241 -7.441 1.00 2.12 O ATOM 0 H GLU A 3 -3.879 2.012 -6.502 1.00 23.13 H new ATOM 0 HA GLU A 3 -4.382 -0.144 -8.286 1.00 65.41 H new ATOM 0 HB2 GLU A 3 -5.676 2.453 -7.565 1.00 32.11 H new ATOM 0 HB3 GLU A 3 -6.126 1.722 -9.093 1.00 32.11 H new ATOM 0 HG2 GLU A 3 -6.658 -0.421 -7.908 1.00 60.13 H new ATOM 0 HG3 GLU A 3 -6.213 0.314 -6.381 1.00 60.13 H new ATOM 65 N SER A 4 -3.617 0.517 -10.525 1.00 40.15 N ATOM 66 CA SER A 4 -3.029 0.831 -11.817 1.00 35.30 C ATOM 67 C SER A 4 -4.067 0.636 -12.925 1.00 24.22 C ATOM 68 O SER A 4 -4.889 -0.276 -12.857 1.00 30.33 O ATOM 69 CB SER A 4 -1.797 -0.034 -12.086 1.00 24.42 C ATOM 70 OG SER A 4 -1.262 -0.589 -10.887 1.00 4.31 O ATOM 0 H SER A 4 -3.988 -0.430 -10.443 1.00 40.15 H new ATOM 0 HA SER A 4 -2.711 1.874 -11.804 1.00 35.30 H new ATOM 0 HB2 SER A 4 -2.062 -0.839 -12.771 1.00 24.42 H new ATOM 0 HB3 SER A 4 -1.033 0.567 -12.580 1.00 24.42 H new ATOM 0 HG SER A 4 -0.855 0.123 -10.350 1.00 4.31 H new ATOM 76 N VAL A 5 -3.994 1.508 -13.920 1.00 22.24 N ATOM 77 CA VAL A 5 -4.916 1.443 -15.041 1.00 11.04 C ATOM 78 C VAL A 5 -4.866 0.044 -15.657 1.00 24.52 C ATOM 79 O VAL A 5 -3.786 -0.509 -15.864 1.00 52.33 O ATOM 80 CB VAL A 5 -4.596 2.551 -16.046 1.00 70.12 C ATOM 81 CG1 VAL A 5 -5.422 2.387 -17.323 1.00 54.44 C ATOM 82 CG2 VAL A 5 -4.812 3.933 -15.426 1.00 60.04 C ATOM 0 H VAL A 5 -3.311 2.263 -13.973 1.00 22.24 H new ATOM 0 HA VAL A 5 -5.939 1.613 -14.705 1.00 11.04 H new ATOM 0 HB VAL A 5 -3.543 2.466 -16.315 1.00 70.12 H new ATOM 0 HG11 VAL A 5 -5.176 3.187 -18.021 1.00 54.44 H new ATOM 0 HG12 VAL A 5 -5.197 1.424 -17.781 1.00 54.44 H new ATOM 0 HG13 VAL A 5 -6.483 2.433 -17.078 1.00 54.44 H new ATOM 0 HG21 VAL A 5 -4.577 4.702 -16.162 1.00 60.04 H new ATOM 0 HG22 VAL A 5 -5.852 4.034 -15.115 1.00 60.04 H new ATOM 0 HG23 VAL A 5 -4.161 4.049 -14.560 1.00 60.04 H new ATOM 92 N VAL A 6 -6.047 -0.490 -15.932 1.00 43.01 N ATOM 93 CA VAL A 6 -6.151 -1.815 -16.520 1.00 42.54 C ATOM 94 C VAL A 6 -7.235 -1.805 -17.600 1.00 12.34 C ATOM 95 O VAL A 6 -8.365 -1.391 -17.345 1.00 74.32 O ATOM 96 CB VAL A 6 -6.405 -2.854 -15.427 1.00 62.31 C ATOM 97 CG1 VAL A 6 -6.760 -4.213 -16.034 1.00 43.14 C ATOM 98 CG2 VAL A 6 -5.201 -2.970 -14.490 1.00 43.02 C ATOM 0 H VAL A 6 -6.940 -0.029 -15.759 1.00 43.01 H new ATOM 0 HA VAL A 6 -5.214 -2.094 -17.002 1.00 42.54 H new ATOM 0 HB VAL A 6 -7.258 -2.518 -14.837 1.00 62.31 H new ATOM 0 HG11 VAL A 6 -6.936 -4.934 -15.235 1.00 43.14 H new ATOM 0 HG12 VAL A 6 -7.661 -4.117 -16.640 1.00 43.14 H new ATOM 0 HG13 VAL A 6 -5.937 -4.558 -16.660 1.00 43.14 H new ATOM 0 HG21 VAL A 6 -5.408 -3.715 -13.722 1.00 43.02 H new ATOM 0 HG22 VAL A 6 -4.323 -3.272 -15.061 1.00 43.02 H new ATOM 0 HG23 VAL A 6 -5.013 -2.006 -14.018 1.00 43.02 H new ATOM 108 N ALA A 7 -6.853 -2.265 -18.782 1.00 0.02 N ATOM 109 CA ALA A 7 -7.779 -2.314 -19.901 1.00 23.43 C ATOM 110 C ALA A 7 -9.034 -3.083 -19.485 1.00 34.15 C ATOM 111 O ALA A 7 -9.035 -4.313 -19.464 1.00 13.01 O ATOM 112 CB ALA A 7 -7.084 -2.943 -21.111 1.00 14.15 C ATOM 0 H ALA A 7 -5.915 -2.607 -18.989 1.00 0.02 H new ATOM 0 HA ALA A 7 -8.088 -1.309 -20.188 1.00 23.43 H new ATOM 0 HB1 ALA A 7 -7.778 -2.980 -21.951 1.00 14.15 H new ATOM 0 HB2 ALA A 7 -6.216 -2.343 -21.384 1.00 14.15 H new ATOM 0 HB3 ALA A 7 -6.763 -3.954 -20.861 1.00 14.15 H new ATOM 118 N ALA A 8 -10.073 -2.326 -19.163 1.00 74.53 N ATOM 119 CA ALA A 8 -11.333 -2.921 -18.749 1.00 23.21 C ATOM 120 C ALA A 8 -11.910 -3.739 -19.905 1.00 74.45 C ATOM 121 O ALA A 8 -12.834 -4.528 -19.712 1.00 33.00 O ATOM 122 CB ALA A 8 -12.287 -1.821 -18.279 1.00 61.31 C ATOM 0 H ALA A 8 -10.068 -1.306 -19.180 1.00 74.53 H new ATOM 0 HA ALA A 8 -11.180 -3.600 -17.910 1.00 23.21 H new ATOM 0 HB1 ALA A 8 -13.232 -2.267 -17.969 1.00 61.31 H new ATOM 0 HB2 ALA A 8 -11.843 -1.289 -17.437 1.00 61.31 H new ATOM 0 HB3 ALA A 8 -12.467 -1.122 -19.096 1.00 61.31 H new ATOM 128 N VAL A 9 -11.342 -3.524 -21.083 1.00 10.44 N ATOM 129 CA VAL A 9 -11.789 -4.231 -22.270 1.00 60.25 C ATOM 130 C VAL A 9 -10.629 -4.336 -23.263 1.00 54.32 C ATOM 131 O VAL A 9 -9.600 -3.684 -23.092 1.00 54.20 O ATOM 132 CB VAL A 9 -13.020 -3.539 -22.860 1.00 21.34 C ATOM 133 CG1 VAL A 9 -14.219 -3.658 -21.917 1.00 73.43 C ATOM 134 CG2 VAL A 9 -12.722 -2.075 -23.186 1.00 1.53 C ATOM 0 H VAL A 9 -10.576 -2.870 -21.240 1.00 10.44 H new ATOM 0 HA VAL A 9 -12.094 -5.246 -22.017 1.00 60.25 H new ATOM 0 HB VAL A 9 -13.275 -4.044 -23.792 1.00 21.34 H new ATOM 0 HG11 VAL A 9 -15.081 -3.158 -22.359 1.00 73.43 H new ATOM 0 HG12 VAL A 9 -14.453 -4.711 -21.757 1.00 73.43 H new ATOM 0 HG13 VAL A 9 -13.979 -3.190 -20.962 1.00 73.43 H new ATOM 0 HG21 VAL A 9 -13.613 -1.607 -23.604 1.00 1.53 H new ATOM 0 HG22 VAL A 9 -12.430 -1.552 -22.276 1.00 1.53 H new ATOM 0 HG23 VAL A 9 -11.910 -2.022 -23.911 1.00 1.53 H new ATOM 144 N LEU A 10 -10.835 -5.161 -24.279 1.00 42.33 N ATOM 145 CA LEU A 10 -9.819 -5.359 -25.299 1.00 53.15 C ATOM 146 C LEU A 10 -9.588 -4.043 -26.045 1.00 2.01 C ATOM 147 O LEU A 10 -10.305 -3.729 -26.994 1.00 5.52 O ATOM 148 CB LEU A 10 -10.199 -6.525 -26.214 1.00 71.20 C ATOM 149 CG LEU A 10 -9.485 -6.577 -27.566 1.00 60.22 C ATOM 150 CD1 LEU A 10 -8.138 -7.293 -27.448 1.00 10.13 C ATOM 151 CD2 LEU A 10 -10.379 -7.211 -28.634 1.00 43.02 C ATOM 0 H LEU A 10 -11.690 -5.700 -24.418 1.00 42.33 H new ATOM 0 HA LEU A 10 -8.870 -5.638 -24.842 1.00 53.15 H new ATOM 0 HB2 LEU A 10 -10.000 -7.456 -25.684 1.00 71.20 H new ATOM 0 HB3 LEU A 10 -11.273 -6.484 -26.394 1.00 71.20 H new ATOM 0 HG LEU A 10 -9.279 -5.555 -27.883 1.00 60.22 H new ATOM 0 HD11 LEU A 10 -7.652 -7.316 -28.423 1.00 10.13 H new ATOM 0 HD12 LEU A 10 -7.504 -6.761 -26.739 1.00 10.13 H new ATOM 0 HD13 LEU A 10 -8.298 -8.313 -27.098 1.00 10.13 H new ATOM 0 HD21 LEU A 10 -9.848 -7.236 -29.585 1.00 43.02 H new ATOM 0 HD22 LEU A 10 -10.637 -8.227 -28.336 1.00 43.02 H new ATOM 0 HD23 LEU A 10 -11.290 -6.622 -28.742 1.00 43.02 H new ATOM 163 N ILE A 11 -8.584 -3.309 -25.587 1.00 60.32 N ATOM 164 CA ILE A 11 -8.249 -2.034 -26.199 1.00 30.52 C ATOM 165 C ILE A 11 -7.314 -2.273 -27.386 1.00 72.42 C ATOM 166 O ILE A 11 -6.178 -2.710 -27.208 1.00 73.45 O ATOM 167 CB ILE A 11 -7.682 -1.071 -25.154 1.00 31.42 C ATOM 168 CG1 ILE A 11 -8.242 -1.379 -23.764 1.00 20.35 C ATOM 169 CG2 ILE A 11 -7.925 0.384 -25.560 1.00 61.53 C ATOM 170 CD1 ILE A 11 -8.077 -0.180 -22.828 1.00 43.10 C ATOM 0 H ILE A 11 -7.992 -3.573 -24.800 1.00 60.32 H new ATOM 0 HA ILE A 11 -9.145 -1.552 -26.590 1.00 30.52 H new ATOM 0 HB ILE A 11 -6.603 -1.216 -25.106 1.00 31.42 H new ATOM 0 HG12 ILE A 11 -9.297 -1.641 -23.843 1.00 20.35 H new ATOM 0 HG13 ILE A 11 -7.729 -2.245 -23.345 1.00 20.35 H new ATOM 0 HG21 ILE A 11 -7.512 1.048 -24.800 1.00 61.53 H new ATOM 0 HG22 ILE A 11 -7.440 0.581 -26.516 1.00 61.53 H new ATOM 0 HG23 ILE A 11 -8.996 0.562 -25.654 1.00 61.53 H new ATOM 0 HD11 ILE A 11 -8.483 -0.426 -21.847 1.00 43.10 H new ATOM 0 HD12 ILE A 11 -7.019 0.064 -22.732 1.00 43.10 H new ATOM 0 HD13 ILE A 11 -8.611 0.677 -23.237 1.00 43.10 H new ATOM 182 N PRO A 12 -7.841 -1.968 -28.603 1.00 24.35 N ATOM 183 CA PRO A 12 -7.066 -2.145 -29.819 1.00 21.31 C ATOM 184 C PRO A 12 -6.010 -1.047 -29.962 1.00 14.24 C ATOM 185 O PRO A 12 -5.986 -0.099 -29.178 1.00 1.00 O ATOM 186 CB PRO A 12 -8.090 -2.135 -30.942 1.00 43.14 C ATOM 187 CG PRO A 12 -9.338 -1.491 -30.362 1.00 54.34 C ATOM 188 CD PRO A 12 -9.182 -1.449 -28.851 1.00 51.31 C ATOM 0 HA PRO A 12 -6.498 -3.075 -29.824 1.00 21.31 H new ATOM 0 HB2 PRO A 12 -7.723 -1.572 -31.800 1.00 43.14 H new ATOM 0 HB3 PRO A 12 -8.298 -3.147 -31.290 1.00 43.14 H new ATOM 0 HG2 PRO A 12 -9.469 -0.485 -30.760 1.00 54.34 H new ATOM 0 HG3 PRO A 12 -10.225 -2.061 -30.638 1.00 54.34 H new ATOM 0 HD2 PRO A 12 -9.291 -0.434 -28.470 1.00 51.31 H new ATOM 0 HD3 PRO A 12 -9.940 -2.058 -28.357 1.00 51.31 H new ATOM 196 N ILE A 13 -5.164 -1.211 -30.968 1.00 11.24 N ATOM 197 CA ILE A 13 -4.109 -0.245 -31.223 1.00 51.11 C ATOM 198 C ILE A 13 -4.722 1.032 -31.802 1.00 61.11 C ATOM 199 O ILE A 13 -5.773 0.987 -32.439 1.00 32.31 O ATOM 200 CB ILE A 13 -3.022 -0.860 -32.106 1.00 65.21 C ATOM 201 CG1 ILE A 13 -1.918 0.157 -32.406 1.00 31.53 C ATOM 202 CG2 ILE A 13 -3.621 -1.449 -33.385 1.00 13.23 C ATOM 203 CD1 ILE A 13 -0.573 -0.541 -32.617 1.00 42.22 C ATOM 0 H ILE A 13 -5.188 -1.998 -31.616 1.00 11.24 H new ATOM 0 HA ILE A 13 -3.613 0.032 -30.293 1.00 51.11 H new ATOM 0 HB ILE A 13 -2.562 -1.682 -31.558 1.00 65.21 H new ATOM 0 HG12 ILE A 13 -2.178 0.730 -33.296 1.00 31.53 H new ATOM 0 HG13 ILE A 13 -1.838 0.867 -31.582 1.00 31.53 H new ATOM 0 HG21 ILE A 13 -2.826 -1.880 -33.994 1.00 13.23 H new ATOM 0 HG22 ILE A 13 -4.341 -2.226 -33.126 1.00 13.23 H new ATOM 0 HG23 ILE A 13 -4.123 -0.662 -33.947 1.00 13.23 H new ATOM 0 HD11 ILE A 13 0.194 0.204 -32.829 1.00 42.22 H new ATOM 0 HD12 ILE A 13 -0.304 -1.093 -31.716 1.00 42.22 H new ATOM 0 HD13 ILE A 13 -0.649 -1.232 -33.457 1.00 42.22 H new ATOM 215 N ASN A 14 -4.038 2.141 -31.560 1.00 72.31 N ATOM 216 CA ASN A 14 -4.502 3.428 -32.050 1.00 31.25 C ATOM 217 C ASN A 14 -5.994 3.578 -31.743 1.00 25.22 C ATOM 218 O ASN A 14 -6.777 3.946 -32.617 1.00 23.20 O ATOM 219 CB ASN A 14 -4.317 3.540 -33.564 1.00 53.31 C ATOM 220 CG ASN A 14 -2.889 3.965 -33.912 1.00 71.51 C ATOM 221 OD1 ASN A 14 -2.656 4.855 -34.713 1.00 11.12 O ATOM 222 ND2 ASN A 14 -1.949 3.279 -33.268 1.00 0.22 N ATOM 0 H ASN A 14 -3.166 2.175 -31.031 1.00 72.31 H new ATOM 0 HA ASN A 14 -3.920 4.206 -31.557 1.00 31.25 H new ATOM 0 HB2 ASN A 14 -4.539 2.582 -34.033 1.00 53.31 H new ATOM 0 HB3 ASN A 14 -5.024 4.264 -33.968 1.00 53.31 H new ATOM 0 HD21 ASN A 14 -0.964 3.486 -33.432 1.00 0.22 H new ATOM 0 HD22 ASN A 14 -2.213 2.546 -32.610 1.00 0.22 H new ATOM 229 N THR A 15 -6.341 3.285 -30.498 1.00 54.04 N ATOM 230 CA THR A 15 -7.725 3.383 -30.065 1.00 71.35 C ATOM 231 C THR A 15 -7.849 4.356 -28.892 1.00 12.40 C ATOM 232 O THR A 15 -7.224 4.162 -27.850 1.00 74.24 O ATOM 233 CB THR A 15 -8.219 1.972 -29.739 1.00 70.13 C ATOM 234 OG1 THR A 15 -8.217 1.304 -30.998 1.00 23.52 O ATOM 235 CG2 THR A 15 -9.687 1.950 -29.309 1.00 11.42 C ATOM 0 H THR A 15 -5.688 2.980 -29.776 1.00 54.04 H new ATOM 0 HA THR A 15 -8.358 3.791 -30.853 1.00 71.35 H new ATOM 0 HB THR A 15 -7.602 1.546 -28.948 1.00 70.13 H new ATOM 0 HG1 THR A 15 -7.293 1.141 -31.281 1.00 23.52 H new ATOM 0 HG21 THR A 15 -9.987 0.925 -29.090 1.00 11.42 H new ATOM 0 HG22 THR A 15 -9.814 2.564 -28.417 1.00 11.42 H new ATOM 0 HG23 THR A 15 -10.308 2.345 -30.113 1.00 11.42 H new ATOM 243 N ALA A 16 -8.660 5.384 -29.100 1.00 62.51 N ATOM 244 CA ALA A 16 -8.874 6.388 -28.072 1.00 41.24 C ATOM 245 C ALA A 16 -9.318 5.702 -26.779 1.00 72.11 C ATOM 246 O ALA A 16 -10.159 4.805 -26.806 1.00 34.15 O ATOM 247 CB ALA A 16 -9.894 7.416 -28.567 1.00 62.33 C ATOM 0 H ALA A 16 -9.176 5.543 -29.965 1.00 62.51 H new ATOM 0 HA ALA A 16 -7.948 6.923 -27.860 1.00 41.24 H new ATOM 0 HB1 ALA A 16 -10.055 8.169 -27.796 1.00 62.33 H new ATOM 0 HB2 ALA A 16 -9.518 7.896 -29.470 1.00 62.33 H new ATOM 0 HB3 ALA A 16 -10.837 6.916 -28.788 1.00 62.33 H new ATOM 253 N LEU A 17 -8.733 6.150 -25.678 1.00 71.11 N ATOM 254 CA LEU A 17 -9.058 5.590 -24.377 1.00 51.21 C ATOM 255 C LEU A 17 -10.255 6.340 -23.789 1.00 32.31 C ATOM 256 O LEU A 17 -10.360 7.557 -23.929 1.00 41.25 O ATOM 257 CB LEU A 17 -7.826 5.591 -23.470 1.00 42.43 C ATOM 258 CG LEU A 17 -6.661 4.708 -23.921 1.00 23.23 C ATOM 259 CD1 LEU A 17 -5.404 4.996 -23.097 1.00 41.04 C ATOM 260 CD2 LEU A 17 -7.047 3.228 -23.878 1.00 63.14 C ATOM 0 H LEU A 17 -8.036 6.894 -25.660 1.00 71.11 H new ATOM 0 HA LEU A 17 -9.352 4.545 -24.475 1.00 51.21 H new ATOM 0 HB2 LEU A 17 -7.466 6.616 -23.381 1.00 42.43 H new ATOM 0 HB3 LEU A 17 -8.133 5.273 -22.474 1.00 42.43 H new ATOM 0 HG LEU A 17 -6.429 4.951 -24.958 1.00 23.23 H new ATOM 0 HD11 LEU A 17 -4.591 4.355 -23.438 1.00 41.04 H new ATOM 0 HD12 LEU A 17 -5.119 6.041 -23.221 1.00 41.04 H new ATOM 0 HD13 LEU A 17 -5.606 4.798 -22.044 1.00 41.04 H new ATOM 0 HD21 LEU A 17 -6.201 2.622 -24.203 1.00 63.14 H new ATOM 0 HD22 LEU A 17 -7.320 2.953 -22.859 1.00 63.14 H new ATOM 0 HD23 LEU A 17 -7.895 3.054 -24.541 1.00 63.14 H new ATOM 272 N THR A 18 -11.128 5.581 -23.142 1.00 51.14 N ATOM 273 CA THR A 18 -12.314 6.158 -22.532 1.00 41.43 C ATOM 274 C THR A 18 -12.421 5.733 -21.067 1.00 25.43 C ATOM 275 O THR A 18 -11.664 4.878 -20.608 1.00 42.12 O ATOM 276 CB THR A 18 -13.525 5.750 -23.373 1.00 42.05 C ATOM 277 OG1 THR A 18 -13.250 4.403 -23.747 1.00 64.21 O ATOM 278 CG2 THR A 18 -13.592 6.500 -24.706 1.00 33.25 C ATOM 0 H THR A 18 -11.037 4.572 -23.027 1.00 51.14 H new ATOM 0 HA THR A 18 -12.261 7.247 -22.519 1.00 41.43 H new ATOM 0 HB THR A 18 -14.438 5.933 -22.807 1.00 42.05 H new ATOM 0 HG1 THR A 18 -13.525 4.259 -24.677 1.00 64.21 H new ATOM 0 HG21 THR A 18 -14.470 6.173 -25.264 1.00 33.25 H new ATOM 0 HG22 THR A 18 -13.660 7.571 -24.518 1.00 33.25 H new ATOM 0 HG23 THR A 18 -12.694 6.290 -25.287 1.00 33.25 H new ATOM 286 N VAL A 19 -13.366 6.348 -20.372 1.00 73.14 N ATOM 287 CA VAL A 19 -13.582 6.043 -18.968 1.00 42.30 C ATOM 288 C VAL A 19 -14.332 4.715 -18.848 1.00 51.30 C ATOM 289 O VAL A 19 -14.390 4.126 -17.770 1.00 13.43 O ATOM 290 CB VAL A 19 -14.309 7.204 -18.286 1.00 43.43 C ATOM 291 CG1 VAL A 19 -15.826 7.039 -18.393 1.00 0.43 C ATOM 292 CG2 VAL A 19 -13.873 7.342 -16.826 1.00 40.21 C ATOM 0 H VAL A 19 -13.991 7.057 -20.755 1.00 73.14 H new ATOM 0 HA VAL A 19 -12.629 5.926 -18.452 1.00 42.30 H new ATOM 0 HB VAL A 19 -14.035 8.123 -18.805 1.00 43.43 H new ATOM 0 HG11 VAL A 19 -16.319 7.877 -17.900 1.00 0.43 H new ATOM 0 HG12 VAL A 19 -16.116 7.014 -19.443 1.00 0.43 H new ATOM 0 HG13 VAL A 19 -16.126 6.108 -17.912 1.00 0.43 H new ATOM 0 HG21 VAL A 19 -14.405 8.174 -16.365 1.00 40.21 H new ATOM 0 HG22 VAL A 19 -14.103 6.422 -16.289 1.00 40.21 H new ATOM 0 HG23 VAL A 19 -12.800 7.528 -16.783 1.00 40.21 H new ATOM 302 N GLY A 20 -14.888 4.283 -19.970 1.00 64.33 N ATOM 303 CA GLY A 20 -15.632 3.035 -20.005 1.00 2.15 C ATOM 304 C GLY A 20 -14.805 1.921 -20.649 1.00 62.13 C ATOM 305 O GLY A 20 -15.328 0.848 -20.947 1.00 44.14 O ATOM 0 H GLY A 20 -14.838 4.775 -20.862 1.00 64.33 H new ATOM 0 HA2 GLY A 20 -15.912 2.746 -18.992 1.00 2.15 H new ATOM 0 HA3 GLY A 20 -16.558 3.175 -20.564 1.00 2.15 H new ATOM 309 N MET A 21 -13.528 2.213 -20.845 1.00 44.45 N ATOM 310 CA MET A 21 -12.623 1.250 -21.449 1.00 73.34 C ATOM 311 C MET A 21 -11.528 0.834 -20.465 1.00 71.12 C ATOM 312 O MET A 21 -11.083 -0.313 -20.475 1.00 5.52 O ATOM 313 CB MET A 21 -11.983 1.862 -22.697 1.00 13.01 C ATOM 314 CG MET A 21 -12.705 1.403 -23.965 1.00 73.52 C ATOM 315 SD MET A 21 -11.519 1.079 -25.260 1.00 15.53 S ATOM 316 CE MET A 21 -10.571 2.590 -25.195 1.00 52.45 C ATOM 0 H MET A 21 -13.098 3.104 -20.596 1.00 44.45 H new ATOM 0 HA MET A 21 -13.196 0.364 -21.722 1.00 73.34 H new ATOM 0 HB2 MET A 21 -12.014 2.949 -22.630 1.00 13.01 H new ATOM 0 HB3 MET A 21 -10.932 1.576 -22.749 1.00 13.01 H new ATOM 0 HG2 MET A 21 -13.284 0.503 -23.758 1.00 73.52 H new ATOM 0 HG3 MET A 21 -13.410 2.169 -24.289 1.00 73.52 H new ATOM 0 HE1 MET A 21 -9.939 2.661 -26.080 1.00 52.45 H new ATOM 0 HE2 MET A 21 -11.248 3.443 -25.164 1.00 52.45 H new ATOM 0 HE3 MET A 21 -9.946 2.590 -24.302 1.00 52.45 H new ATOM 326 N MET A 22 -11.126 1.789 -19.639 1.00 62.52 N ATOM 327 CA MET A 22 -10.091 1.536 -18.651 1.00 31.13 C ATOM 328 C MET A 22 -10.703 1.221 -17.284 1.00 74.44 C ATOM 329 O MET A 22 -11.922 1.256 -17.123 1.00 74.45 O ATOM 330 CB MET A 22 -9.186 2.764 -18.534 1.00 30.23 C ATOM 331 CG MET A 22 -8.364 2.963 -19.809 1.00 32.31 C ATOM 332 SD MET A 22 -7.638 4.593 -19.819 1.00 54.43 S ATOM 333 CE MET A 22 -9.098 5.581 -20.104 1.00 70.52 C ATOM 0 H MET A 22 -11.498 2.739 -19.634 1.00 62.52 H new ATOM 0 HA MET A 22 -9.509 0.674 -18.975 1.00 31.13 H new ATOM 0 HB2 MET A 22 -9.792 3.650 -18.346 1.00 30.23 H new ATOM 0 HB3 MET A 22 -8.518 2.648 -17.681 1.00 30.23 H new ATOM 0 HG2 MET A 22 -7.581 2.207 -19.869 1.00 32.31 H new ATOM 0 HG3 MET A 22 -8.999 2.834 -20.685 1.00 32.31 H new ATOM 0 HE1 MET A 22 -8.807 6.613 -20.298 1.00 70.52 H new ATOM 0 HE2 MET A 22 -9.640 5.189 -20.965 1.00 70.52 H new ATOM 0 HE3 MET A 22 -9.740 5.545 -19.224 1.00 70.52 H new ATOM 343 N THR A 23 -9.829 0.920 -16.335 1.00 74.22 N ATOM 344 CA THR A 23 -10.269 0.599 -14.988 1.00 22.51 C ATOM 345 C THR A 23 -9.082 0.614 -14.022 1.00 53.12 C ATOM 346 O THR A 23 -7.933 0.717 -14.447 1.00 64.02 O ATOM 347 CB THR A 23 -10.996 -0.747 -15.036 1.00 3.21 C ATOM 348 OG1 THR A 23 -11.652 -0.832 -13.774 1.00 23.22 O ATOM 349 CG2 THR A 23 -10.031 -1.934 -15.035 1.00 63.22 C ATOM 0 H THR A 23 -8.819 0.892 -16.472 1.00 74.22 H new ATOM 0 HA THR A 23 -10.965 1.348 -14.610 1.00 22.51 H new ATOM 0 HB THR A 23 -11.623 -0.790 -15.927 1.00 3.21 H new ATOM 0 HG1 THR A 23 -12.150 -1.674 -13.720 1.00 23.22 H new ATOM 0 HG21 THR A 23 -10.598 -2.864 -15.070 1.00 63.22 H new ATOM 0 HG22 THR A 23 -9.379 -1.874 -15.906 1.00 63.22 H new ATOM 0 HG23 THR A 23 -9.427 -1.911 -14.128 1.00 63.22 H new ATOM 357 N THR A 24 -9.402 0.510 -12.741 1.00 11.43 N ATOM 358 CA THR A 24 -8.377 0.511 -11.711 1.00 1.20 C ATOM 359 C THR A 24 -8.301 -0.858 -11.033 1.00 61.20 C ATOM 360 O THR A 24 -9.311 -1.379 -10.563 1.00 11.13 O ATOM 361 CB THR A 24 -8.683 1.654 -10.740 1.00 64.34 C ATOM 362 OG1 THR A 24 -9.985 1.351 -10.247 1.00 24.01 O ATOM 363 CG2 THR A 24 -8.857 2.996 -11.453 1.00 0.52 C ATOM 0 H THR A 24 -10.357 0.424 -12.392 1.00 11.43 H new ATOM 0 HA THR A 24 -7.389 0.683 -12.137 1.00 1.20 H new ATOM 0 HB THR A 24 -7.880 1.734 -10.008 1.00 64.34 H new ATOM 0 HG1 THR A 24 -10.125 0.381 -10.267 1.00 24.01 H new ATOM 0 HG21 THR A 24 -9.072 3.773 -10.719 1.00 0.52 H new ATOM 0 HG22 THR A 24 -7.940 3.246 -11.987 1.00 0.52 H new ATOM 0 HG23 THR A 24 -9.683 2.927 -12.161 1.00 0.52 H new ATOM 371 N ARG A 25 -7.093 -1.402 -11.004 1.00 73.44 N ATOM 372 CA ARG A 25 -6.872 -2.701 -10.392 1.00 32.42 C ATOM 373 C ARG A 25 -5.420 -2.828 -9.926 1.00 35.24 C ATOM 374 O ARG A 25 -4.507 -2.340 -10.589 1.00 61.31 O ATOM 375 CB ARG A 25 -7.187 -3.833 -11.372 1.00 24.30 C ATOM 376 CG ARG A 25 -8.305 -4.729 -10.835 1.00 24.02 C ATOM 377 CD ARG A 25 -9.563 -4.612 -11.697 1.00 61.45 C ATOM 378 NE ARG A 25 -10.098 -5.959 -11.997 1.00 20.42 N ATOM 379 CZ ARG A 25 -11.388 -6.210 -12.304 1.00 34.11 C ATOM 380 NH1 ARG A 25 -12.288 -5.205 -12.355 1.00 33.11 N ATOM 381 NH2 ARG A 25 -11.757 -7.453 -12.554 1.00 11.24 N ATOM 0 H ARG A 25 -6.257 -0.967 -11.394 1.00 73.44 H new ATOM 0 HA ARG A 25 -7.541 -2.782 -9.535 1.00 32.42 H new ATOM 0 HB2 ARG A 25 -7.482 -3.414 -12.334 1.00 24.30 H new ATOM 0 HB3 ARG A 25 -6.291 -4.428 -11.545 1.00 24.30 H new ATOM 0 HG2 ARG A 25 -7.968 -5.765 -10.816 1.00 24.02 H new ATOM 0 HG3 ARG A 25 -8.537 -4.451 -9.807 1.00 24.02 H new ATOM 0 HD2 ARG A 25 -10.316 -4.020 -11.177 1.00 61.45 H new ATOM 0 HD3 ARG A 25 -9.331 -4.089 -12.625 1.00 61.45 H new ATOM 0 HE ARG A 25 -9.451 -6.747 -11.970 1.00 20.42 H new ATOM 0 HH11 ARG A 25 -11.995 -4.248 -12.161 1.00 33.11 H new ATOM 0 HH12 ARG A 25 -13.261 -5.403 -12.588 1.00 33.11 H new ATOM 0 HH21 ARG A 25 -11.071 -8.207 -12.514 1.00 11.24 H new ATOM 0 HH22 ARG A 25 -12.728 -7.660 -12.788 1.00 11.24 H new ATOM 394 N VAL A 26 -5.253 -3.486 -8.788 1.00 12.03 N ATOM 395 CA VAL A 26 -3.928 -3.683 -8.225 1.00 70.11 C ATOM 396 C VAL A 26 -3.214 -4.799 -8.991 1.00 35.13 C ATOM 397 O VAL A 26 -3.187 -5.945 -8.543 1.00 54.43 O ATOM 398 CB VAL A 26 -4.033 -3.960 -6.724 1.00 62.20 C ATOM 399 CG1 VAL A 26 -2.648 -4.168 -6.107 1.00 73.20 C ATOM 400 CG2 VAL A 26 -4.788 -2.837 -6.011 1.00 30.14 C ATOM 0 H VAL A 26 -6.013 -3.889 -8.241 1.00 12.03 H new ATOM 0 HA VAL A 26 -3.328 -2.779 -8.334 1.00 70.11 H new ATOM 0 HB VAL A 26 -4.600 -4.881 -6.592 1.00 62.20 H new ATOM 0 HG11 VAL A 26 -2.751 -4.363 -5.040 1.00 73.20 H new ATOM 0 HG12 VAL A 26 -2.160 -5.017 -6.586 1.00 73.20 H new ATOM 0 HG13 VAL A 26 -2.045 -3.272 -6.256 1.00 73.20 H new ATOM 0 HG21 VAL A 26 -4.849 -3.059 -4.945 1.00 30.14 H new ATOM 0 HG22 VAL A 26 -4.260 -1.894 -6.156 1.00 30.14 H new ATOM 0 HG23 VAL A 26 -5.794 -2.757 -6.423 1.00 30.14 H new ATOM 410 N VAL A 27 -2.654 -4.426 -10.132 1.00 11.33 N ATOM 411 CA VAL A 27 -1.942 -5.381 -10.964 1.00 13.13 C ATOM 412 C VAL A 27 -0.438 -5.122 -10.858 1.00 11.53 C ATOM 413 O VAL A 27 -0.018 -4.030 -10.477 1.00 51.25 O ATOM 414 CB VAL A 27 -2.461 -5.311 -12.401 1.00 71.24 C ATOM 415 CG1 VAL A 27 -3.990 -5.280 -12.431 1.00 54.35 C ATOM 416 CG2 VAL A 27 -1.873 -4.106 -13.139 1.00 30.43 C ATOM 0 H VAL A 27 -2.679 -3.475 -10.500 1.00 11.33 H new ATOM 0 HA VAL A 27 -2.121 -6.399 -10.617 1.00 13.13 H new ATOM 0 HB VAL A 27 -2.134 -6.213 -12.919 1.00 71.24 H new ATOM 0 HG11 VAL A 27 -4.333 -5.230 -13.465 1.00 54.35 H new ATOM 0 HG12 VAL A 27 -4.381 -6.183 -11.962 1.00 54.35 H new ATOM 0 HG13 VAL A 27 -4.347 -4.405 -11.888 1.00 54.35 H new ATOM 0 HG21 VAL A 27 -2.258 -4.080 -14.158 1.00 30.43 H new ATOM 0 HG22 VAL A 27 -2.155 -3.189 -12.621 1.00 30.43 H new ATOM 0 HG23 VAL A 27 -0.786 -4.189 -13.164 1.00 30.43 H new ATOM 426 N SER A 28 0.332 -6.144 -11.201 1.00 12.32 N ATOM 427 CA SER A 28 1.780 -6.040 -11.149 1.00 23.10 C ATOM 428 C SER A 28 2.384 -6.480 -12.484 1.00 24.41 C ATOM 429 O SER A 28 1.973 -7.491 -13.052 1.00 43.45 O ATOM 430 CB SER A 28 2.352 -6.880 -10.005 1.00 11.10 C ATOM 431 OG SER A 28 3.540 -6.307 -9.464 1.00 75.31 O ATOM 0 H SER A 28 -0.020 -7.048 -11.516 1.00 12.32 H new ATOM 0 HA SER A 28 2.042 -4.998 -10.965 1.00 23.10 H new ATOM 0 HB2 SER A 28 1.605 -6.976 -9.217 1.00 11.10 H new ATOM 0 HB3 SER A 28 2.566 -7.886 -10.366 1.00 11.10 H new ATOM 0 HG SER A 28 3.873 -6.872 -8.735 1.00 75.31 H new ATOM 437 N PRO A 29 3.376 -5.680 -12.958 1.00 4.33 N ATOM 438 CA PRO A 29 3.803 -4.502 -12.222 1.00 2.22 C ATOM 439 C PRO A 29 2.780 -3.372 -12.355 1.00 3.24 C ATOM 440 O PRO A 29 2.047 -3.306 -13.340 1.00 42.11 O ATOM 441 CB PRO A 29 5.161 -4.145 -12.804 1.00 23.14 C ATOM 442 CG PRO A 29 5.236 -4.849 -14.149 1.00 3.31 C ATOM 443 CD PRO A 29 4.115 -5.874 -14.202 1.00 2.31 C ATOM 0 HA PRO A 29 3.879 -4.681 -11.149 1.00 2.22 H new ATOM 0 HB2 PRO A 29 5.264 -3.066 -12.922 1.00 23.14 H new ATOM 0 HB3 PRO A 29 5.966 -4.472 -12.146 1.00 23.14 H new ATOM 0 HG2 PRO A 29 5.135 -4.130 -14.962 1.00 3.31 H new ATOM 0 HG3 PRO A 29 6.204 -5.335 -14.272 1.00 3.31 H new ATOM 0 HD2 PRO A 29 3.476 -5.717 -15.071 1.00 2.31 H new ATOM 0 HD3 PRO A 29 4.509 -6.888 -14.275 1.00 2.31 H new ATOM 451 N THR A 30 2.764 -2.510 -11.348 1.00 72.41 N ATOM 452 CA THR A 30 1.843 -1.386 -11.340 1.00 61.31 C ATOM 453 C THR A 30 2.194 -0.402 -12.458 1.00 13.25 C ATOM 454 O THR A 30 3.291 0.155 -12.478 1.00 75.50 O ATOM 455 CB THR A 30 1.875 -0.759 -9.945 1.00 42.31 C ATOM 456 OG1 THR A 30 3.261 -0.710 -9.618 1.00 63.22 O ATOM 457 CG2 THR A 30 1.272 -1.674 -8.877 1.00 43.23 C ATOM 0 H THR A 30 3.374 -2.568 -10.532 1.00 72.41 H new ATOM 0 HA THR A 30 0.822 -1.709 -11.543 1.00 61.31 H new ATOM 0 HB THR A 30 1.333 0.187 -9.960 1.00 42.31 H new ATOM 0 HG1 THR A 30 3.759 -0.316 -10.364 1.00 63.22 H new ATOM 0 HG21 THR A 30 1.320 -1.181 -7.906 1.00 43.23 H new ATOM 0 HG22 THR A 30 0.232 -1.887 -9.125 1.00 43.23 H new ATOM 0 HG23 THR A 30 1.834 -2.607 -8.838 1.00 43.23 H new ATOM 465 N GLY A 31 1.241 -0.217 -13.360 1.00 4.32 N ATOM 466 CA GLY A 31 1.436 0.691 -14.478 1.00 33.13 C ATOM 467 C GLY A 31 0.837 2.067 -14.178 1.00 31.44 C ATOM 468 O GLY A 31 0.786 2.487 -13.023 1.00 3.02 O ATOM 0 H GLY A 31 0.332 -0.680 -13.340 1.00 4.32 H new ATOM 0 HA2 GLY A 31 2.501 0.792 -14.688 1.00 33.13 H new ATOM 0 HA3 GLY A 31 0.973 0.276 -15.373 1.00 33.13 H new ATOM 472 N ILE A 32 0.398 2.730 -15.238 1.00 22.55 N ATOM 473 CA ILE A 32 -0.195 4.049 -15.102 1.00 72.01 C ATOM 474 C ILE A 32 -1.093 4.075 -13.864 1.00 33.13 C ATOM 475 O ILE A 32 -1.773 3.094 -13.565 1.00 12.51 O ATOM 476 CB ILE A 32 -0.915 4.448 -16.392 1.00 61.21 C ATOM 477 CG1 ILE A 32 0.067 4.541 -17.562 1.00 23.14 C ATOM 478 CG2 ILE A 32 -1.704 5.745 -16.201 1.00 63.23 C ATOM 479 CD1 ILE A 32 -0.645 4.308 -18.896 1.00 1.15 C ATOM 0 H ILE A 32 0.441 2.378 -16.194 1.00 22.55 H new ATOM 0 HA ILE A 32 0.579 4.801 -14.950 1.00 72.01 H new ATOM 0 HB ILE A 32 -1.635 3.667 -16.637 1.00 61.21 H new ATOM 0 HG12 ILE A 32 0.542 5.522 -17.566 1.00 23.14 H new ATOM 0 HG13 ILE A 32 0.860 3.804 -17.435 1.00 23.14 H new ATOM 0 HG21 ILE A 32 -2.206 6.006 -17.133 1.00 63.23 H new ATOM 0 HG22 ILE A 32 -2.446 5.607 -15.415 1.00 63.23 H new ATOM 0 HG23 ILE A 32 -1.022 6.547 -15.919 1.00 63.23 H new ATOM 0 HD11 ILE A 32 0.076 4.380 -19.711 1.00 1.15 H new ATOM 0 HD12 ILE A 32 -1.098 3.317 -18.898 1.00 1.15 H new ATOM 0 HD13 ILE A 32 -1.421 5.062 -19.031 1.00 1.15 H new ATOM 491 N PRO A 33 -1.066 5.237 -13.158 1.00 40.21 N ATOM 492 CA PRO A 33 -1.869 5.404 -11.959 1.00 32.21 C ATOM 493 C PRO A 33 -3.344 5.612 -12.311 1.00 24.32 C ATOM 494 O PRO A 33 -3.662 6.165 -13.362 1.00 55.11 O ATOM 495 CB PRO A 33 -1.257 6.594 -11.238 1.00 31.54 C ATOM 496 CG PRO A 33 -0.434 7.334 -12.279 1.00 40.01 C ATOM 497 CD PRO A 33 -0.273 6.419 -13.482 1.00 43.32 C ATOM 0 HA PRO A 33 -1.860 4.521 -11.320 1.00 32.21 H new ATOM 0 HB2 PRO A 33 -2.031 7.239 -10.822 1.00 31.54 H new ATOM 0 HB3 PRO A 33 -0.633 6.268 -10.406 1.00 31.54 H new ATOM 0 HG2 PRO A 33 -0.929 8.261 -12.568 1.00 40.01 H new ATOM 0 HG3 PRO A 33 0.540 7.606 -11.873 1.00 40.01 H new ATOM 0 HD2 PRO A 33 -0.630 6.898 -14.394 1.00 43.32 H new ATOM 0 HD3 PRO A 33 0.773 6.161 -13.646 1.00 43.32 H new ATOM 505 N ALA A 34 -4.203 5.157 -11.411 1.00 54.22 N ATOM 506 CA ALA A 34 -5.637 5.287 -11.613 1.00 65.54 C ATOM 507 C ALA A 34 -6.012 6.770 -11.640 1.00 23.44 C ATOM 508 O ALA A 34 -7.104 7.130 -12.075 1.00 34.53 O ATOM 509 CB ALA A 34 -6.378 4.517 -10.519 1.00 32.23 C ATOM 0 H ALA A 34 -3.934 4.698 -10.541 1.00 54.22 H new ATOM 0 HA ALA A 34 -5.931 4.856 -12.570 1.00 65.54 H new ATOM 0 HB1 ALA A 34 -7.453 4.614 -10.670 1.00 32.23 H new ATOM 0 HB2 ALA A 34 -6.099 3.464 -10.563 1.00 32.23 H new ATOM 0 HB3 ALA A 34 -6.111 4.923 -9.543 1.00 32.23 H new ATOM 515 N GLU A 35 -5.084 7.590 -11.168 1.00 53.15 N ATOM 516 CA GLU A 35 -5.304 9.026 -11.132 1.00 41.15 C ATOM 517 C GLU A 35 -5.090 9.631 -12.521 1.00 63.25 C ATOM 518 O GLU A 35 -5.369 10.809 -12.739 1.00 63.22 O ATOM 519 CB GLU A 35 -4.396 9.694 -10.098 1.00 21.22 C ATOM 520 CG GLU A 35 -2.971 9.844 -10.634 1.00 60.04 C ATOM 521 CD GLU A 35 -1.948 9.790 -9.498 1.00 34.44 C ATOM 522 OE1 GLU A 35 -2.109 8.998 -8.556 1.00 52.35 O ATOM 523 OE2 GLU A 35 -0.957 10.607 -9.616 1.00 74.21 O ATOM 0 H GLU A 35 -4.179 7.288 -10.808 1.00 53.15 H new ATOM 0 HA GLU A 35 -6.336 9.208 -10.833 1.00 41.15 H new ATOM 0 HB2 GLU A 35 -4.795 10.674 -9.838 1.00 21.22 H new ATOM 0 HB3 GLU A 35 -4.384 9.102 -9.183 1.00 21.22 H new ATOM 0 HG2 GLU A 35 -2.764 9.051 -11.352 1.00 60.04 H new ATOM 0 HG3 GLU A 35 -2.877 10.790 -11.168 1.00 60.04 H new ATOM 531 N ASP A 36 -4.596 8.797 -13.425 1.00 53.02 N ATOM 532 CA ASP A 36 -4.341 9.235 -14.787 1.00 75.21 C ATOM 533 C ASP A 36 -5.431 8.681 -15.708 1.00 45.33 C ATOM 534 O ASP A 36 -5.432 8.955 -16.908 1.00 32.35 O ATOM 535 CB ASP A 36 -2.991 8.719 -15.288 1.00 72.41 C ATOM 536 CG ASP A 36 -1.769 9.356 -14.625 1.00 43.40 C ATOM 537 OD1 ASP A 36 -1.888 10.070 -13.618 1.00 61.00 O ATOM 538 OD2 ASP A 36 -0.641 9.092 -15.192 1.00 63.51 O ATOM 0 H ASP A 36 -4.366 7.821 -13.241 1.00 53.02 H new ATOM 0 HA ASP A 36 -4.336 10.325 -14.796 1.00 75.21 H new ATOM 0 HB2 ASP A 36 -2.950 7.641 -15.131 1.00 72.41 H new ATOM 0 HB3 ASP A 36 -2.931 8.887 -16.363 1.00 72.41 H new ATOM 544 N ILE A 37 -6.331 7.913 -15.112 1.00 44.15 N ATOM 545 CA ILE A 37 -7.423 7.319 -15.864 1.00 63.35 C ATOM 546 C ILE A 37 -8.149 8.412 -16.650 1.00 73.15 C ATOM 547 O ILE A 37 -8.409 8.256 -17.843 1.00 3.24 O ATOM 548 CB ILE A 37 -8.338 6.517 -14.937 1.00 22.31 C ATOM 549 CG1 ILE A 37 -7.882 5.059 -14.843 1.00 50.12 C ATOM 550 CG2 ILE A 37 -9.799 6.633 -15.374 1.00 15.32 C ATOM 551 CD1 ILE A 37 -8.950 4.193 -14.173 1.00 32.30 C ATOM 0 H ILE A 37 -6.326 7.688 -14.117 1.00 44.15 H new ATOM 0 HA ILE A 37 -7.040 6.604 -16.592 1.00 63.35 H new ATOM 0 HB ILE A 37 -8.267 6.942 -13.936 1.00 22.31 H new ATOM 0 HG12 ILE A 37 -7.671 4.675 -15.841 1.00 50.12 H new ATOM 0 HG13 ILE A 37 -6.953 5.001 -14.276 1.00 50.12 H new ATOM 0 HG21 ILE A 37 -10.428 6.054 -14.698 1.00 15.32 H new ATOM 0 HG22 ILE A 37 -10.105 7.679 -15.347 1.00 15.32 H new ATOM 0 HG23 ILE A 37 -9.907 6.249 -16.389 1.00 15.32 H new ATOM 0 HD11 ILE A 37 -8.601 3.162 -14.119 1.00 32.30 H new ATOM 0 HD12 ILE A 37 -9.141 4.565 -13.166 1.00 32.30 H new ATOM 0 HD13 ILE A 37 -9.870 4.234 -14.756 1.00 32.30 H new ATOM 563 N PRO A 38 -8.465 9.523 -15.932 1.00 74.31 N ATOM 564 CA PRO A 38 -9.157 10.641 -16.549 1.00 41.55 C ATOM 565 C PRO A 38 -8.210 11.446 -17.442 1.00 52.14 C ATOM 566 O PRO A 38 -8.639 12.366 -18.137 1.00 44.14 O ATOM 567 CB PRO A 38 -9.710 11.451 -15.388 1.00 50.32 C ATOM 568 CG PRO A 38 -8.920 11.018 -14.164 1.00 44.22 C ATOM 569 CD PRO A 38 -8.174 9.742 -14.518 1.00 41.05 C ATOM 0 HA PRO A 38 -9.960 10.323 -17.214 1.00 41.55 H new ATOM 0 HB2 PRO A 38 -9.596 12.520 -15.568 1.00 50.32 H new ATOM 0 HB3 PRO A 38 -10.775 11.262 -15.252 1.00 50.32 H new ATOM 0 HG2 PRO A 38 -8.220 11.799 -13.865 1.00 44.22 H new ATOM 0 HG3 PRO A 38 -9.588 10.848 -13.319 1.00 44.22 H new ATOM 0 HD2 PRO A 38 -7.103 9.849 -14.346 1.00 41.05 H new ATOM 0 HD3 PRO A 38 -8.513 8.903 -13.909 1.00 41.05 H new ATOM 577 N ARG A 39 -6.941 11.070 -17.395 1.00 3.14 N ATOM 578 CA ARG A 39 -5.930 11.745 -18.191 1.00 3.13 C ATOM 579 C ARG A 39 -5.660 10.965 -19.479 1.00 30.33 C ATOM 580 O ARG A 39 -5.251 11.543 -20.485 1.00 31.53 O ATOM 581 CB ARG A 39 -4.623 11.894 -17.410 1.00 4.14 C ATOM 582 CG ARG A 39 -4.703 13.061 -16.423 1.00 35.20 C ATOM 583 CD ARG A 39 -3.546 13.014 -15.423 1.00 53.41 C ATOM 584 NE ARG A 39 -2.363 13.702 -15.986 1.00 40.12 N ATOM 585 CZ ARG A 39 -1.475 13.120 -16.821 1.00 14.53 C ATOM 586 NH1 ARG A 39 -1.630 11.833 -17.196 1.00 52.15 N ATOM 587 NH2 ARG A 39 -0.454 13.829 -17.264 1.00 3.45 N ATOM 0 H ARG A 39 -6.589 10.306 -16.818 1.00 3.14 H new ATOM 0 HA ARG A 39 -6.309 12.737 -18.436 1.00 3.13 H new ATOM 0 HB2 ARG A 39 -4.410 10.971 -16.871 1.00 4.14 H new ATOM 0 HB3 ARG A 39 -3.797 12.055 -18.103 1.00 4.14 H new ATOM 0 HG2 ARG A 39 -4.679 14.005 -16.968 1.00 35.20 H new ATOM 0 HG3 ARG A 39 -5.652 13.025 -15.888 1.00 35.20 H new ATOM 0 HD2 ARG A 39 -3.843 13.489 -14.488 1.00 53.41 H new ATOM 0 HD3 ARG A 39 -3.298 11.979 -15.189 1.00 53.41 H new ATOM 0 HE ARG A 39 -2.209 14.677 -15.727 1.00 40.12 H new ATOM 0 HH11 ARG A 39 -2.422 11.292 -16.849 1.00 52.15 H new ATOM 0 HH12 ARG A 39 -0.955 11.401 -17.827 1.00 52.15 H new ATOM 0 HH21 ARG A 39 -0.345 14.801 -16.975 1.00 3.45 H new ATOM 0 HH22 ARG A 39 0.226 13.405 -17.895 1.00 3.45 H new ATOM 600 N LEU A 40 -5.900 9.664 -19.406 1.00 21.31 N ATOM 601 CA LEU A 40 -5.688 8.798 -20.554 1.00 1.23 C ATOM 602 C LEU A 40 -6.842 8.977 -21.542 1.00 50.40 C ATOM 603 O LEU A 40 -6.688 8.721 -22.735 1.00 44.42 O ATOM 604 CB LEU A 40 -5.484 7.351 -20.103 1.00 24.44 C ATOM 605 CG LEU A 40 -4.301 7.101 -19.164 1.00 70.14 C ATOM 606 CD1 LEU A 40 -4.474 5.785 -18.403 1.00 2.54 C ATOM 607 CD2 LEU A 40 -2.976 7.152 -19.927 1.00 62.43 C ATOM 0 H LEU A 40 -6.239 9.188 -18.570 1.00 21.31 H new ATOM 0 HA LEU A 40 -4.773 9.076 -21.077 1.00 1.23 H new ATOM 0 HB2 LEU A 40 -6.394 7.014 -19.606 1.00 24.44 H new ATOM 0 HB3 LEU A 40 -5.356 6.730 -20.989 1.00 24.44 H new ATOM 0 HG LEU A 40 -4.277 7.900 -18.423 1.00 70.14 H new ATOM 0 HD11 LEU A 40 -3.620 5.631 -17.743 1.00 2.54 H new ATOM 0 HD12 LEU A 40 -5.388 5.825 -17.810 1.00 2.54 H new ATOM 0 HD13 LEU A 40 -4.537 4.960 -19.113 1.00 2.54 H new ATOM 0 HD21 LEU A 40 -2.152 6.971 -19.237 1.00 62.43 H new ATOM 0 HD22 LEU A 40 -2.974 6.387 -20.704 1.00 62.43 H new ATOM 0 HD23 LEU A 40 -2.857 8.134 -20.385 1.00 62.43 H new ATOM 619 N ILE A 41 -7.973 9.416 -21.009 1.00 21.32 N ATOM 620 CA ILE A 41 -9.153 9.632 -21.829 1.00 44.11 C ATOM 621 C ILE A 41 -8.800 10.571 -22.984 1.00 41.33 C ATOM 622 O ILE A 41 -8.114 11.573 -22.787 1.00 64.14 O ATOM 623 CB ILE A 41 -10.319 10.125 -20.970 1.00 73.55 C ATOM 624 CG1 ILE A 41 -10.550 9.198 -19.775 1.00 24.20 C ATOM 625 CG2 ILE A 41 -11.585 10.299 -21.813 1.00 24.22 C ATOM 626 CD1 ILE A 41 -11.990 9.301 -19.270 1.00 53.44 C ATOM 0 H ILE A 41 -8.097 9.628 -20.019 1.00 21.32 H new ATOM 0 HA ILE A 41 -9.488 8.693 -22.271 1.00 44.11 H new ATOM 0 HB ILE A 41 -10.059 11.106 -20.571 1.00 73.55 H new ATOM 0 HG12 ILE A 41 -10.335 8.169 -20.062 1.00 24.20 H new ATOM 0 HG13 ILE A 41 -9.860 9.456 -18.972 1.00 24.20 H new ATOM 0 HG21 ILE A 41 -12.399 10.650 -21.179 1.00 24.22 H new ATOM 0 HG22 ILE A 41 -11.399 11.028 -22.602 1.00 24.22 H new ATOM 0 HG23 ILE A 41 -11.859 9.343 -22.259 1.00 24.22 H new ATOM 0 HD11 ILE A 41 -12.126 8.632 -18.421 1.00 53.44 H new ATOM 0 HD12 ILE A 41 -12.195 10.326 -18.961 1.00 53.44 H new ATOM 0 HD13 ILE A 41 -12.677 9.019 -20.068 1.00 53.44 H new ATOM 638 N SER A 42 -9.285 10.214 -24.164 1.00 54.43 N ATOM 639 CA SER A 42 -9.030 11.013 -25.351 1.00 71.22 C ATOM 640 C SER A 42 -7.683 10.624 -25.964 1.00 31.33 C ATOM 641 O SER A 42 -7.366 11.027 -27.082 1.00 22.14 O ATOM 642 CB SER A 42 -9.053 12.507 -25.025 1.00 0.41 C ATOM 643 OG SER A 42 -9.486 13.289 -26.135 1.00 3.52 O ATOM 0 H SER A 42 -9.853 9.382 -24.324 1.00 54.43 H new ATOM 0 HA SER A 42 -9.822 10.814 -26.073 1.00 71.22 H new ATOM 0 HB2 SER A 42 -9.715 12.683 -24.177 1.00 0.41 H new ATOM 0 HB3 SER A 42 -8.056 12.827 -24.723 1.00 0.41 H new ATOM 0 HG SER A 42 -9.488 14.237 -25.886 1.00 3.52 H new ATOM 649 N MET A 43 -6.927 9.845 -25.204 1.00 61.34 N ATOM 650 CA MET A 43 -5.621 9.397 -25.658 1.00 73.44 C ATOM 651 C MET A 43 -5.694 7.976 -26.221 1.00 74.23 C ATOM 652 O MET A 43 -6.216 7.072 -25.570 1.00 0.23 O ATOM 653 CB MET A 43 -4.634 9.433 -24.490 1.00 72.10 C ATOM 654 CG MET A 43 -4.790 10.722 -23.680 1.00 73.23 C ATOM 655 SD MET A 43 -3.210 11.221 -23.017 1.00 52.21 S ATOM 656 CE MET A 43 -2.499 9.621 -22.671 1.00 74.22 C ATOM 0 H MET A 43 -7.194 9.513 -24.277 1.00 61.34 H new ATOM 0 HA MET A 43 -5.284 10.065 -26.451 1.00 73.44 H new ATOM 0 HB2 MET A 43 -4.798 8.571 -23.844 1.00 72.10 H new ATOM 0 HB3 MET A 43 -3.614 9.358 -24.868 1.00 72.10 H new ATOM 0 HG2 MET A 43 -5.194 11.512 -24.313 1.00 73.23 H new ATOM 0 HG3 MET A 43 -5.502 10.568 -22.869 1.00 73.23 H new ATOM 0 HE1 MET A 43 -1.846 9.693 -21.801 1.00 74.22 H new ATOM 0 HE2 MET A 43 -3.296 8.905 -22.468 1.00 74.22 H new ATOM 0 HE3 MET A 43 -1.920 9.286 -23.532 1.00 74.22 H new ATOM 666 N GLN A 44 -5.164 7.823 -27.426 1.00 31.33 N ATOM 667 CA GLN A 44 -5.163 6.527 -28.084 1.00 4.14 C ATOM 668 C GLN A 44 -3.942 5.713 -27.650 1.00 31.22 C ATOM 669 O GLN A 44 -2.942 6.275 -27.206 1.00 51.12 O ATOM 670 CB GLN A 44 -5.204 6.685 -29.605 1.00 30.31 C ATOM 671 CG GLN A 44 -6.331 7.629 -30.028 1.00 33.21 C ATOM 672 CD GLN A 44 -6.038 8.256 -31.392 1.00 73.24 C ATOM 673 OE1 GLN A 44 -5.477 9.334 -31.502 1.00 30.45 O ATOM 674 NE2 GLN A 44 -6.448 7.523 -32.424 1.00 33.12 N ATOM 0 H GLN A 44 -4.732 8.575 -27.964 1.00 31.33 H new ATOM 0 HA GLN A 44 -6.061 5.987 -27.783 1.00 4.14 H new ATOM 0 HB2 GLN A 44 -4.249 7.072 -29.960 1.00 30.31 H new ATOM 0 HB3 GLN A 44 -5.347 5.710 -30.072 1.00 30.31 H new ATOM 0 HG2 GLN A 44 -7.272 7.081 -30.070 1.00 33.21 H new ATOM 0 HG3 GLN A 44 -6.452 8.414 -29.281 1.00 33.21 H new ATOM 0 HE21 GLN A 44 -6.911 6.629 -32.262 1.00 33.12 H new ATOM 0 HE22 GLN A 44 -6.299 7.855 -33.377 1.00 33.12 H new ATOM 683 N VAL A 45 -4.064 4.401 -27.793 1.00 52.41 N ATOM 684 CA VAL A 45 -2.983 3.504 -27.422 1.00 13.14 C ATOM 685 C VAL A 45 -2.099 3.245 -28.643 1.00 30.31 C ATOM 686 O VAL A 45 -2.571 3.294 -29.778 1.00 34.05 O ATOM 687 CB VAL A 45 -3.554 2.221 -26.813 1.00 42.32 C ATOM 688 CG1 VAL A 45 -4.242 2.507 -25.477 1.00 52.22 C ATOM 689 CG2 VAL A 45 -4.511 1.531 -27.787 1.00 13.50 C ATOM 0 H VAL A 45 -4.895 3.938 -28.161 1.00 52.41 H new ATOM 0 HA VAL A 45 -2.354 3.959 -26.657 1.00 13.14 H new ATOM 0 HB VAL A 45 -2.723 1.542 -26.622 1.00 42.32 H new ATOM 0 HG11 VAL A 45 -4.639 1.579 -25.066 1.00 52.22 H new ATOM 0 HG12 VAL A 45 -3.520 2.933 -24.780 1.00 52.22 H new ATOM 0 HG13 VAL A 45 -5.058 3.213 -25.632 1.00 52.22 H new ATOM 0 HG21 VAL A 45 -4.903 0.622 -27.330 1.00 13.50 H new ATOM 0 HG22 VAL A 45 -5.336 2.203 -28.024 1.00 13.50 H new ATOM 0 HG23 VAL A 45 -3.977 1.276 -28.702 1.00 13.50 H new ATOM 699 N ASN A 46 -0.831 2.974 -28.369 1.00 33.01 N ATOM 700 CA ASN A 46 0.123 2.707 -29.431 1.00 63.33 C ATOM 701 C ASN A 46 0.419 1.206 -29.480 1.00 13.30 C ATOM 702 O ASN A 46 1.529 0.799 -29.818 1.00 42.30 O ATOM 703 CB ASN A 46 1.443 3.440 -29.183 1.00 53.55 C ATOM 704 CG ASN A 46 2.138 2.910 -27.928 1.00 71.21 C ATOM 705 OD1 ASN A 46 2.342 1.719 -27.756 1.00 55.21 O ATOM 706 ND2 ASN A 46 2.490 3.857 -27.063 1.00 74.12 N ATOM 0 H ASN A 46 -0.443 2.934 -27.427 1.00 33.01 H new ATOM 0 HA ASN A 46 -0.312 3.053 -30.369 1.00 63.33 H new ATOM 0 HB2 ASN A 46 2.099 3.317 -30.045 1.00 53.55 H new ATOM 0 HB3 ASN A 46 1.255 4.508 -29.075 1.00 53.55 H new ATOM 0 HD21 ASN A 46 2.961 3.605 -26.194 1.00 74.12 H new ATOM 0 HD22 ASN A 46 2.289 4.836 -27.269 1.00 74.12 H new ATOM 713 N GLN A 47 -0.595 0.425 -29.137 1.00 63.34 N ATOM 714 CA GLN A 47 -0.458 -1.022 -29.138 1.00 4.12 C ATOM 715 C GLN A 47 -1.780 -1.680 -28.739 1.00 23.52 C ATOM 716 O GLN A 47 -2.608 -1.064 -28.070 1.00 42.54 O ATOM 717 CB GLN A 47 0.677 -1.465 -28.212 1.00 61.43 C ATOM 718 CG GLN A 47 0.535 -2.942 -27.839 1.00 73.31 C ATOM 719 CD GLN A 47 1.735 -3.419 -27.019 1.00 3.32 C ATOM 720 OE1 GLN A 47 2.343 -4.440 -27.295 1.00 73.01 O ATOM 721 NE2 GLN A 47 2.042 -2.624 -25.997 1.00 61.04 N ATOM 0 H GLN A 47 -1.514 0.766 -28.857 1.00 63.34 H new ATOM 0 HA GLN A 47 -0.205 -1.344 -30.148 1.00 4.12 H new ATOM 0 HB2 GLN A 47 1.636 -1.301 -28.702 1.00 61.43 H new ATOM 0 HB3 GLN A 47 0.673 -0.856 -27.308 1.00 61.43 H new ATOM 0 HG2 GLN A 47 -0.382 -3.090 -27.268 1.00 73.31 H new ATOM 0 HG3 GLN A 47 0.447 -3.542 -28.744 1.00 73.31 H new ATOM 0 HE21 GLN A 47 1.492 -1.783 -25.821 1.00 61.04 H new ATOM 0 HE22 GLN A 47 2.828 -2.855 -25.389 1.00 61.04 H new ATOM 730 N VAL A 48 -1.937 -2.925 -29.166 1.00 4.15 N ATOM 731 CA VAL A 48 -3.144 -3.674 -28.861 1.00 40.11 C ATOM 732 C VAL A 48 -3.077 -4.177 -27.418 1.00 2.55 C ATOM 733 O VAL A 48 -2.371 -5.140 -27.124 1.00 71.33 O ATOM 734 CB VAL A 48 -3.331 -4.801 -29.879 1.00 30.25 C ATOM 735 CG1 VAL A 48 -4.167 -5.939 -29.289 1.00 13.31 C ATOM 736 CG2 VAL A 48 -3.956 -4.274 -31.172 1.00 31.32 C ATOM 0 H VAL A 48 -1.248 -3.433 -29.721 1.00 4.15 H new ATOM 0 HA VAL A 48 -4.022 -3.033 -28.941 1.00 40.11 H new ATOM 0 HB VAL A 48 -2.346 -5.200 -30.122 1.00 30.25 H new ATOM 0 HG11 VAL A 48 -4.285 -6.727 -30.033 1.00 13.31 H new ATOM 0 HG12 VAL A 48 -3.664 -6.342 -28.410 1.00 13.31 H new ATOM 0 HG13 VAL A 48 -5.148 -5.560 -29.004 1.00 13.31 H new ATOM 0 HG21 VAL A 48 -4.078 -5.095 -31.878 1.00 31.32 H new ATOM 0 HG22 VAL A 48 -4.930 -3.836 -30.953 1.00 31.32 H new ATOM 0 HG23 VAL A 48 -3.306 -3.515 -31.607 1.00 31.32 H new ATOM 746 N VAL A 49 -3.821 -3.501 -26.554 1.00 42.22 N ATOM 747 CA VAL A 49 -3.855 -3.867 -25.148 1.00 45.24 C ATOM 748 C VAL A 49 -5.082 -4.740 -24.883 1.00 31.53 C ATOM 749 O VAL A 49 -6.215 -4.277 -24.998 1.00 14.53 O ATOM 750 CB VAL A 49 -3.817 -2.608 -24.279 1.00 60.30 C ATOM 751 CG1 VAL A 49 -3.900 -2.965 -22.794 1.00 22.43 C ATOM 752 CG2 VAL A 49 -2.568 -1.775 -24.574 1.00 60.30 C ATOM 0 H VAL A 49 -4.405 -2.702 -26.801 1.00 42.22 H new ATOM 0 HA VAL A 49 -2.975 -4.454 -24.884 1.00 45.24 H new ATOM 0 HB VAL A 49 -4.689 -2.003 -24.528 1.00 60.30 H new ATOM 0 HG11 VAL A 49 -3.871 -2.053 -22.198 1.00 22.43 H new ATOM 0 HG12 VAL A 49 -4.832 -3.496 -22.599 1.00 22.43 H new ATOM 0 HG13 VAL A 49 -3.057 -3.601 -22.525 1.00 22.43 H new ATOM 0 HG21 VAL A 49 -2.566 -0.886 -23.943 1.00 60.30 H new ATOM 0 HG22 VAL A 49 -1.678 -2.369 -24.367 1.00 60.30 H new ATOM 0 HG23 VAL A 49 -2.569 -1.476 -25.622 1.00 60.30 H new ATOM 762 N PRO A 50 -4.808 -6.023 -24.523 1.00 63.00 N ATOM 763 CA PRO A 50 -5.876 -6.966 -24.240 1.00 54.10 C ATOM 764 C PRO A 50 -6.511 -6.683 -22.877 1.00 2.32 C ATOM 765 O PRO A 50 -5.813 -6.346 -21.921 1.00 51.14 O ATOM 766 CB PRO A 50 -5.223 -8.336 -24.318 1.00 71.11 C ATOM 767 CG PRO A 50 -3.729 -8.094 -24.181 1.00 43.35 C ATOM 768 CD PRO A 50 -3.478 -6.607 -24.377 1.00 22.42 C ATOM 0 HA PRO A 50 -6.701 -6.892 -24.949 1.00 54.10 H new ATOM 0 HB2 PRO A 50 -5.587 -8.988 -23.524 1.00 71.11 H new ATOM 0 HB3 PRO A 50 -5.454 -8.826 -25.264 1.00 71.11 H new ATOM 0 HG2 PRO A 50 -3.379 -8.414 -23.200 1.00 43.35 H new ATOM 0 HG3 PRO A 50 -3.179 -8.675 -24.921 1.00 43.35 H new ATOM 0 HD2 PRO A 50 -2.949 -6.179 -23.526 1.00 22.42 H new ATOM 0 HD3 PRO A 50 -2.865 -6.422 -25.259 1.00 22.42 H new ATOM 776 N MET A 51 -7.827 -6.830 -22.830 1.00 44.11 N ATOM 777 CA MET A 51 -8.563 -6.594 -21.600 1.00 21.42 C ATOM 778 C MET A 51 -7.869 -7.260 -20.409 1.00 42.55 C ATOM 779 O MET A 51 -7.696 -8.477 -20.388 1.00 72.21 O ATOM 780 CB MET A 51 -9.982 -7.150 -21.739 1.00 44.14 C ATOM 781 CG MET A 51 -10.765 -6.987 -20.435 1.00 61.11 C ATOM 782 SD MET A 51 -12.163 -8.096 -20.420 1.00 73.33 S ATOM 783 CE MET A 51 -12.590 -8.080 -22.153 1.00 72.24 C ATOM 0 H MET A 51 -8.403 -7.110 -23.624 1.00 44.11 H new ATOM 0 HA MET A 51 -8.600 -5.519 -21.422 1.00 21.42 H new ATOM 0 HB2 MET A 51 -10.501 -6.633 -22.546 1.00 44.14 H new ATOM 0 HB3 MET A 51 -9.938 -8.204 -22.012 1.00 44.14 H new ATOM 0 HG2 MET A 51 -10.117 -7.194 -19.584 1.00 61.11 H new ATOM 0 HG3 MET A 51 -11.106 -5.957 -20.332 1.00 61.11 H new ATOM 0 HE1 MET A 51 -13.580 -8.515 -22.288 1.00 72.24 H new ATOM 0 HE2 MET A 51 -12.592 -7.053 -22.518 1.00 72.24 H new ATOM 0 HE3 MET A 51 -11.859 -8.663 -22.713 1.00 72.24 H new ATOM 793 N GLY A 52 -7.489 -6.431 -19.448 1.00 15.21 N ATOM 794 CA GLY A 52 -6.818 -6.923 -18.257 1.00 71.41 C ATOM 795 C GLY A 52 -5.322 -6.608 -18.301 1.00 44.23 C ATOM 796 O GLY A 52 -4.603 -6.852 -17.333 1.00 72.22 O ATOM 0 H GLY A 52 -7.633 -5.421 -19.470 1.00 15.21 H new ATOM 0 HA2 GLY A 52 -7.263 -6.470 -17.371 1.00 71.41 H new ATOM 0 HA3 GLY A 52 -6.964 -8.000 -18.172 1.00 71.41 H new ATOM 800 N THR A 53 -4.896 -6.069 -19.435 1.00 31.44 N ATOM 801 CA THR A 53 -3.498 -5.718 -19.618 1.00 11.23 C ATOM 802 C THR A 53 -3.212 -4.340 -19.017 1.00 63.21 C ATOM 803 O THR A 53 -3.764 -3.337 -19.465 1.00 41.43 O ATOM 804 CB THR A 53 -3.180 -5.808 -21.111 1.00 42.44 C ATOM 805 OG1 THR A 53 -3.159 -7.207 -21.378 1.00 64.24 O ATOM 806 CG2 THR A 53 -1.758 -5.345 -21.436 1.00 1.10 C ATOM 0 H THR A 53 -5.495 -5.867 -20.236 1.00 31.44 H new ATOM 0 HA THR A 53 -2.843 -6.411 -19.090 1.00 11.23 H new ATOM 0 HB THR A 53 -3.895 -5.205 -21.671 1.00 42.44 H new ATOM 0 HG1 THR A 53 -4.059 -7.507 -21.625 1.00 64.24 H new ATOM 0 HG21 THR A 53 -1.584 -5.429 -22.509 1.00 1.10 H new ATOM 0 HG22 THR A 53 -1.634 -4.307 -21.129 1.00 1.10 H new ATOM 0 HG23 THR A 53 -1.041 -5.969 -20.902 1.00 1.10 H new ATOM 814 N THR A 54 -2.349 -4.336 -18.012 1.00 22.23 N ATOM 815 CA THR A 54 -1.982 -3.098 -17.345 1.00 33.31 C ATOM 816 C THR A 54 -1.588 -2.036 -18.373 1.00 0.45 C ATOM 817 O THR A 54 -0.855 -2.323 -19.318 1.00 54.20 O ATOM 818 CB THR A 54 -0.872 -3.413 -16.340 1.00 74.20 C ATOM 819 OG1 THR A 54 -1.326 -4.592 -15.680 1.00 42.11 O ATOM 820 CG2 THR A 54 -0.782 -2.372 -15.223 1.00 24.05 C ATOM 0 H THR A 54 -1.893 -5.170 -17.643 1.00 22.23 H new ATOM 0 HA THR A 54 -2.826 -2.678 -16.797 1.00 33.31 H new ATOM 0 HB THR A 54 0.084 -3.471 -16.861 1.00 74.20 H new ATOM 0 HG1 THR A 54 -0.565 -5.045 -15.260 1.00 42.11 H new ATOM 0 HG21 THR A 54 0.021 -2.643 -14.537 1.00 24.05 H new ATOM 0 HG22 THR A 54 -0.576 -1.392 -15.654 1.00 24.05 H new ATOM 0 HG23 THR A 54 -1.727 -2.338 -14.680 1.00 24.05 H new ATOM 828 N LEU A 55 -2.091 -0.830 -18.152 1.00 54.05 N ATOM 829 CA LEU A 55 -1.801 0.277 -19.048 1.00 1.14 C ATOM 830 C LEU A 55 -0.464 0.908 -18.654 1.00 41.30 C ATOM 831 O LEU A 55 -0.240 1.217 -17.485 1.00 4.32 O ATOM 832 CB LEU A 55 -2.966 1.268 -19.069 1.00 52.45 C ATOM 833 CG LEU A 55 -3.065 2.160 -20.309 1.00 11.11 C ATOM 834 CD1 LEU A 55 -2.786 1.361 -21.583 1.00 65.20 C ATOM 835 CD2 LEU A 55 -4.418 2.873 -20.365 1.00 4.22 C ATOM 0 H LEU A 55 -2.697 -0.595 -17.366 1.00 54.05 H new ATOM 0 HA LEU A 55 -1.697 -0.079 -20.073 1.00 1.14 H new ATOM 0 HB2 LEU A 55 -3.896 0.707 -18.974 1.00 52.45 H new ATOM 0 HB3 LEU A 55 -2.888 1.908 -18.190 1.00 52.45 H new ATOM 0 HG LEU A 55 -2.297 2.930 -20.237 1.00 11.11 H new ATOM 0 HD11 LEU A 55 -2.863 2.018 -22.449 1.00 65.20 H new ATOM 0 HD12 LEU A 55 -1.782 0.939 -21.535 1.00 65.20 H new ATOM 0 HD13 LEU A 55 -3.514 0.555 -21.674 1.00 65.20 H new ATOM 0 HD21 LEU A 55 -4.462 3.500 -21.255 1.00 4.22 H new ATOM 0 HD22 LEU A 55 -5.218 2.133 -20.402 1.00 4.22 H new ATOM 0 HD23 LEU A 55 -4.539 3.494 -19.477 1.00 4.22 H new ATOM 847 N MET A 56 0.389 1.081 -19.653 1.00 23.12 N ATOM 848 CA MET A 56 1.698 1.670 -19.426 1.00 22.33 C ATOM 849 C MET A 56 1.762 3.095 -19.978 1.00 73.04 C ATOM 850 O MET A 56 0.942 3.479 -20.811 1.00 71.21 O ATOM 851 CB MET A 56 2.769 0.811 -20.102 1.00 53.34 C ATOM 852 CG MET A 56 3.062 -0.447 -19.282 1.00 52.24 C ATOM 853 SD MET A 56 4.364 -0.119 -18.107 1.00 22.44 S ATOM 854 CE MET A 56 3.478 -0.388 -16.580 1.00 45.12 C ATOM 0 H MET A 56 0.199 0.824 -20.622 1.00 23.12 H new ATOM 0 HA MET A 56 1.876 1.709 -18.351 1.00 22.33 H new ATOM 0 HB2 MET A 56 2.437 0.529 -21.101 1.00 53.34 H new ATOM 0 HB3 MET A 56 3.683 1.392 -20.222 1.00 53.34 H new ATOM 0 HG2 MET A 56 2.161 -0.768 -18.759 1.00 52.24 H new ATOM 0 HG3 MET A 56 3.355 -1.262 -19.943 1.00 52.24 H new ATOM 0 HE1 MET A 56 4.042 0.041 -15.752 1.00 45.12 H new ATOM 0 HE2 MET A 56 2.499 0.088 -16.638 1.00 45.12 H new ATOM 0 HE3 MET A 56 3.351 -1.458 -16.417 1.00 45.12 H new ATOM 864 N PRO A 57 2.769 3.860 -19.480 1.00 4.40 N ATOM 865 CA PRO A 57 2.951 5.235 -19.915 1.00 33.20 C ATOM 866 C PRO A 57 3.556 5.290 -21.319 1.00 5.31 C ATOM 867 O PRO A 57 3.444 6.303 -22.008 1.00 1.13 O ATOM 868 CB PRO A 57 3.841 5.868 -18.858 1.00 63.43 C ATOM 869 CG PRO A 57 4.503 4.712 -18.125 1.00 1.54 C ATOM 870 CD PRO A 57 3.759 3.439 -18.493 1.00 1.23 C ATOM 0 HA PRO A 57 2.010 5.778 -20.000 1.00 33.20 H new ATOM 0 HB2 PRO A 57 4.586 6.520 -19.314 1.00 63.43 H new ATOM 0 HB3 PRO A 57 3.257 6.482 -18.172 1.00 63.43 H new ATOM 0 HG2 PRO A 57 5.554 4.634 -18.405 1.00 1.54 H new ATOM 0 HG3 PRO A 57 4.471 4.875 -17.048 1.00 1.54 H new ATOM 0 HD2 PRO A 57 4.435 2.690 -18.905 1.00 1.23 H new ATOM 0 HD3 PRO A 57 3.283 2.992 -17.620 1.00 1.23 H new ATOM 878 N ASP A 58 4.185 4.189 -21.701 1.00 63.42 N ATOM 879 CA ASP A 58 4.809 4.099 -23.011 1.00 31.04 C ATOM 880 C ASP A 58 3.892 3.318 -23.955 1.00 2.42 C ATOM 881 O ASP A 58 4.275 3.008 -25.082 1.00 25.45 O ATOM 882 CB ASP A 58 6.147 3.361 -22.934 1.00 41.51 C ATOM 883 CG ASP A 58 7.377 4.219 -23.240 1.00 54.11 C ATOM 884 OD1 ASP A 58 8.516 3.729 -23.229 1.00 53.40 O ATOM 885 OD2 ASP A 58 7.126 5.457 -23.502 1.00 1.32 O ATOM 0 H ASP A 58 4.276 3.351 -21.127 1.00 63.42 H new ATOM 0 HA ASP A 58 4.977 5.113 -23.375 1.00 31.04 H new ATOM 0 HB2 ASP A 58 6.256 2.940 -21.934 1.00 41.51 H new ATOM 0 HB3 ASP A 58 6.124 2.524 -23.632 1.00 41.51 H new ATOM 891 N MET A 59 2.699 3.024 -23.460 1.00 52.23 N ATOM 892 CA MET A 59 1.725 2.286 -24.246 1.00 35.11 C ATOM 893 C MET A 59 0.535 3.173 -24.619 1.00 43.31 C ATOM 894 O MET A 59 -0.558 2.674 -24.882 1.00 2.21 O ATOM 895 CB MET A 59 1.230 1.080 -23.444 1.00 43.22 C ATOM 896 CG MET A 59 2.173 -0.113 -23.612 1.00 32.41 C ATOM 897 SD MET A 59 1.294 -1.634 -23.294 1.00 64.42 S ATOM 898 CE MET A 59 0.323 -1.142 -21.880 1.00 3.23 C ATOM 0 H MET A 59 2.385 3.283 -22.525 1.00 52.23 H new ATOM 0 HA MET A 59 2.207 1.951 -25.165 1.00 35.11 H new ATOM 0 HB2 MET A 59 1.157 1.345 -22.389 1.00 43.22 H new ATOM 0 HB3 MET A 59 0.228 0.806 -23.774 1.00 43.22 H new ATOM 0 HG2 MET A 59 2.583 -0.124 -24.622 1.00 32.41 H new ATOM 0 HG3 MET A 59 3.016 -0.020 -22.927 1.00 32.41 H new ATOM 0 HE1 MET A 59 -0.403 -1.921 -21.648 1.00 3.23 H new ATOM 0 HE2 MET A 59 0.979 -0.991 -21.023 1.00 3.23 H new ATOM 0 HE3 MET A 59 -0.201 -0.213 -22.104 1.00 3.23 H new ATOM 908 N VAL A 60 0.789 4.474 -24.630 1.00 73.44 N ATOM 909 CA VAL A 60 -0.247 5.435 -24.967 1.00 54.21 C ATOM 910 C VAL A 60 0.383 6.624 -25.695 1.00 3.24 C ATOM 911 O VAL A 60 1.405 7.153 -25.258 1.00 73.33 O ATOM 912 CB VAL A 60 -1.012 5.843 -23.706 1.00 54.14 C ATOM 913 CG1 VAL A 60 -2.183 6.766 -24.050 1.00 40.31 C ATOM 914 CG2 VAL A 60 -1.493 4.613 -22.934 1.00 63.54 C ATOM 0 H VAL A 60 1.697 4.884 -24.411 1.00 73.44 H new ATOM 0 HA VAL A 60 -0.976 4.989 -25.644 1.00 54.21 H new ATOM 0 HB VAL A 60 -0.327 6.395 -23.063 1.00 54.14 H new ATOM 0 HG11 VAL A 60 -2.710 7.041 -23.136 1.00 40.31 H new ATOM 0 HG12 VAL A 60 -1.806 7.666 -24.537 1.00 40.31 H new ATOM 0 HG13 VAL A 60 -2.868 6.250 -24.722 1.00 40.31 H new ATOM 0 HG21 VAL A 60 -2.034 4.931 -22.043 1.00 63.54 H new ATOM 0 HG22 VAL A 60 -2.154 4.021 -23.567 1.00 63.54 H new ATOM 0 HG23 VAL A 60 -0.635 4.009 -22.641 1.00 63.54 H new ATOM 924 N LYS A 61 -0.252 7.010 -26.792 1.00 4.24 N ATOM 925 CA LYS A 61 0.235 8.127 -27.584 1.00 14.12 C ATOM 926 C LYS A 61 -0.230 9.439 -26.948 1.00 32.44 C ATOM 927 O LYS A 61 -1.291 9.490 -26.327 1.00 21.10 O ATOM 928 CB LYS A 61 -0.186 7.970 -29.046 1.00 74.14 C ATOM 929 CG LYS A 61 0.327 6.650 -29.626 1.00 1.30 C ATOM 930 CD LYS A 61 0.238 6.651 -31.153 1.00 62.24 C ATOM 931 CE LYS A 61 -0.340 5.332 -31.669 1.00 60.44 C ATOM 932 NZ LYS A 61 0.748 4.395 -32.030 1.00 73.01 N ATOM 0 H LYS A 61 -1.099 6.569 -27.151 1.00 4.24 H new ATOM 0 HA LYS A 61 1.325 8.144 -27.590 1.00 14.12 H new ATOM 0 HB2 LYS A 61 -1.273 8.006 -29.121 1.00 74.14 H new ATOM 0 HB3 LYS A 61 0.202 8.804 -29.631 1.00 74.14 H new ATOM 0 HG2 LYS A 61 1.361 6.491 -29.318 1.00 1.30 H new ATOM 0 HG3 LYS A 61 -0.256 5.821 -29.225 1.00 1.30 H new ATOM 0 HD2 LYS A 61 -0.387 7.480 -31.484 1.00 62.24 H new ATOM 0 HD3 LYS A 61 1.229 6.809 -31.579 1.00 62.24 H new ATOM 0 HE2 LYS A 61 -0.976 4.883 -30.906 1.00 60.44 H new ATOM 0 HE3 LYS A 61 -0.970 5.520 -32.539 1.00 60.44 H new ATOM 0 HZ1 LYS A 61 0.463 3.424 -31.791 1.00 73.01 H new ATOM 0 HZ2 LYS A 61 0.937 4.459 -33.051 1.00 73.01 H new ATOM 0 HZ3 LYS A 61 1.609 4.643 -31.502 1.00 73.01 H new ATOM 945 N GLY A 62 0.587 10.467 -27.124 1.00 33.32 N ATOM 946 CA GLY A 62 0.273 11.775 -26.575 1.00 34.23 C ATOM 947 C GLY A 62 0.148 11.714 -25.051 1.00 4.41 C ATOM 948 O GLY A 62 -0.355 12.648 -24.428 1.00 72.10 O ATOM 0 H GLY A 62 1.466 10.421 -27.639 1.00 33.32 H new ATOM 0 HA2 GLY A 62 1.052 12.486 -26.851 1.00 34.23 H new ATOM 0 HA3 GLY A 62 -0.659 12.140 -27.006 1.00 34.23 H new ATOM 952 N TYR A 63 0.616 10.607 -24.494 1.00 61.35 N ATOM 953 CA TYR A 63 0.564 10.412 -23.055 1.00 53.24 C ATOM 954 C TYR A 63 1.680 11.191 -22.356 1.00 15.11 C ATOM 955 O TYR A 63 2.562 11.743 -23.012 1.00 31.41 O ATOM 956 CB TYR A 63 0.780 8.915 -22.824 1.00 44.50 C ATOM 957 CG TYR A 63 0.969 8.534 -21.354 1.00 61.05 C ATOM 958 CD1 TYR A 63 2.212 8.648 -20.766 1.00 65.31 C ATOM 959 CD2 TYR A 63 -0.104 8.076 -20.617 1.00 42.21 C ATOM 960 CE1 TYR A 63 2.390 8.289 -19.383 1.00 61.40 C ATOM 961 CE2 TYR A 63 0.074 7.717 -19.234 1.00 12.11 C ATOM 962 CZ TYR A 63 1.312 7.841 -18.685 1.00 40.11 C ATOM 963 OH TYR A 63 1.480 7.502 -17.379 1.00 12.02 O ATOM 0 H TYR A 63 1.033 9.835 -25.014 1.00 61.35 H new ATOM 0 HA TYR A 63 -0.387 10.763 -22.654 1.00 53.24 H new ATOM 0 HB2 TYR A 63 -0.075 8.369 -23.223 1.00 44.50 H new ATOM 0 HB3 TYR A 63 1.656 8.593 -23.388 1.00 44.50 H new ATOM 0 HD1 TYR A 63 3.052 9.007 -21.343 1.00 65.31 H new ATOM 0 HD2 TYR A 63 -1.077 7.987 -21.077 1.00 42.21 H new ATOM 0 HE1 TYR A 63 3.358 8.374 -18.911 1.00 61.40 H new ATOM 0 HE2 TYR A 63 -0.757 7.357 -18.646 1.00 12.11 H new ATOM 0 HH TYR A 63 0.647 7.663 -16.889 1.00 12.02 H new ATOM 973 N ALA A 64 1.604 11.211 -21.033 1.00 40.33 N ATOM 974 CA ALA A 64 2.597 11.913 -20.238 1.00 13.43 C ATOM 975 C ALA A 64 2.153 11.929 -18.774 1.00 35.14 C ATOM 976 O ALA A 64 0.957 11.935 -18.484 1.00 22.51 O ATOM 977 CB ALA A 64 2.799 13.322 -20.800 1.00 62.34 C ATOM 0 H ALA A 64 0.871 10.753 -20.492 1.00 40.33 H new ATOM 0 HA ALA A 64 3.558 11.401 -20.287 1.00 13.43 H new ATOM 0 HB1 ALA A 64 3.544 13.848 -20.203 1.00 62.34 H new ATOM 0 HB2 ALA A 64 3.142 13.256 -21.833 1.00 62.34 H new ATOM 0 HB3 ALA A 64 1.855 13.866 -20.765 1.00 62.34 H new ATOM 983 N PRO A 65 3.165 11.935 -17.866 1.00 2.42 N ATOM 984 CA PRO A 65 2.891 11.950 -16.439 1.00 41.10 C ATOM 985 C PRO A 65 2.428 13.335 -15.984 1.00 13.51 C ATOM 986 O PRO A 65 2.278 14.243 -16.800 1.00 44.33 O ATOM 987 CB PRO A 65 4.191 11.514 -15.784 1.00 65.21 C ATOM 988 CG PRO A 65 5.275 11.720 -16.830 1.00 73.55 C ATOM 989 CD PRO A 65 4.593 11.929 -18.172 1.00 54.15 C ATOM 0 HA PRO A 65 2.076 11.282 -16.160 1.00 41.10 H new ATOM 0 HB2 PRO A 65 4.394 12.103 -14.890 1.00 65.21 H new ATOM 0 HB3 PRO A 65 4.141 10.470 -15.474 1.00 65.21 H new ATOM 0 HG2 PRO A 65 5.891 12.583 -16.576 1.00 73.55 H new ATOM 0 HG3 PRO A 65 5.937 10.855 -16.869 1.00 73.55 H new ATOM 0 HD2 PRO A 65 4.903 12.867 -18.632 1.00 54.15 H new ATOM 0 HD3 PRO A 65 4.844 11.132 -18.872 1.00 54.15 H new