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= -2.45 USER MOD Set 1.2: A 21 MET CE :methyl -165:sc= -4.41! (180deg=-5.65!) USER MOD Set 2.1: A 14 ASN : amide:sc= -3.34! K(o=-3.4!,f=-0.49) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -133:sc= -0.0214 (180deg=0) USER MOD Set 3.1: A 2 GLN : amide:sc= -5.8! C(o=-5.1!,f=-14!) USER MOD Set 3.2: A 4 SER OG : rot -69:sc= 0.746 USER MOD Single : A 15 THR OG1 : rot 69:sc= -0.594 USER MOD Single : A 22 MET CE :methyl -172:sc= -4.24! (180deg=-4.63!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.611 USER MOD Single : A 28 SER OG : rot 180:sc= -0.171 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.18 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -136:sc= -7.15! (180deg=-15.2!) USER MOD Single : A 44 GLN : amide:sc= 0.0234 X(o=0.023,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.03! C(o=-3!,f=-5.4!) USER MOD Single : A 47 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.13) USER MOD Single : A 51 MET CE :methyl -166:sc= -1.94! (180deg=-2.55!) USER MOD Single : A 53 THR OG1 : rot -130:sc= -1.2 USER MOD Single : A 54 THR OG1 : rot 170:sc= -1.83! USER MOD Single : A 56 MET CE :methyl -175:sc= -2.67 (180deg=-2.76) USER MOD Single : A 59 MET CE :methyl 173:sc= -4.67! (180deg=-4.98!) USER MOD Single : A 63 TYR OH : rot 144:sc= -0.494 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.167 0.002 -4.827 1.00 45.31 N ATOM 33 CA GLN A 2 -1.656 1.133 -5.597 1.00 11.20 C ATOM 34 C GLN A 2 -2.400 0.646 -6.842 1.00 21.31 C ATOM 35 O GLN A 2 -1.911 -0.225 -7.560 1.00 40.34 O ATOM 36 CB GLN A 2 -0.512 2.075 -5.976 1.00 3.32 C ATOM 37 CG GLN A 2 0.181 1.608 -7.257 1.00 44.44 C ATOM 38 CD GLN A 2 -0.629 2.003 -8.494 1.00 4.21 C ATOM 39 OE1 GLN A 2 -0.962 1.186 -9.336 1.00 51.13 O ATOM 40 NE2 GLN A 2 -0.925 3.298 -8.555 1.00 53.24 N ATOM 0 HA GLN A 2 -2.354 1.694 -4.976 1.00 11.20 H new ATOM 0 HB2 GLN A 2 -0.898 3.085 -6.115 1.00 3.32 H new ATOM 0 HB3 GLN A 2 0.212 2.120 -5.162 1.00 3.32 H new ATOM 0 HG2 GLN A 2 1.178 2.045 -7.316 1.00 44.44 H new ATOM 0 HG3 GLN A 2 0.309 0.526 -7.232 1.00 44.44 H new ATOM 0 HE21 GLN A 2 -0.615 3.928 -7.815 1.00 53.24 H new ATOM 0 HE22 GLN A 2 -1.463 3.662 -9.342 1.00 53.24 H new ATOM 49 N GLU A 3 -3.570 1.228 -7.059 1.00 40.11 N ATOM 50 CA GLU A 3 -4.386 0.864 -8.205 1.00 31.11 C ATOM 51 C GLU A 3 -3.739 1.363 -9.498 1.00 44.40 C ATOM 52 O GLU A 3 -3.297 2.509 -9.573 1.00 52.01 O ATOM 53 CB GLU A 3 -5.809 1.407 -8.059 1.00 71.42 C ATOM 54 CG GLU A 3 -6.727 0.370 -7.408 1.00 53.13 C ATOM 55 CD GLU A 3 -8.187 0.825 -7.456 1.00 35.53 C ATOM 56 OE1 GLU A 3 -8.479 2.002 -7.198 1.00 20.13 O ATOM 57 OE2 GLU A 3 -9.034 -0.094 -7.775 1.00 74.54 O ATOM 0 H GLU A 3 -3.973 1.949 -6.461 1.00 40.11 H new ATOM 0 HA GLU A 3 -4.450 -0.223 -8.250 1.00 31.11 H new ATOM 0 HB2 GLU A 3 -5.796 2.315 -7.457 1.00 71.42 H new ATOM 0 HB3 GLU A 3 -6.200 1.680 -9.039 1.00 71.42 H new ATOM 0 HG2 GLU A 3 -6.623 -0.586 -7.921 1.00 53.13 H new ATOM 0 HG3 GLU A 3 -6.426 0.211 -6.373 1.00 53.13 H new ATOM 65 N SER A 4 -3.702 0.479 -10.484 1.00 13.10 N ATOM 66 CA SER A 4 -3.116 0.816 -11.770 1.00 72.22 C ATOM 67 C SER A 4 -4.149 0.624 -12.882 1.00 72.14 C ATOM 68 O SER A 4 -4.982 -0.279 -12.812 1.00 40.41 O ATOM 69 CB SER A 4 -1.873 -0.032 -12.048 1.00 34.20 C ATOM 70 OG SER A 4 -1.351 -0.619 -10.859 1.00 60.22 O ATOM 0 H SER A 4 -4.068 -0.471 -10.418 1.00 13.10 H new ATOM 0 HA SER A 4 -2.811 1.862 -11.743 1.00 72.22 H new ATOM 0 HB2 SER A 4 -2.122 -0.818 -12.761 1.00 34.20 H new ATOM 0 HB3 SER A 4 -1.107 0.589 -12.512 1.00 34.20 H new ATOM 0 HG SER A 4 -0.967 0.081 -10.290 1.00 60.22 H new ATOM 76 N VAL A 5 -4.061 1.488 -13.883 1.00 73.42 N ATOM 77 CA VAL A 5 -4.978 1.425 -15.009 1.00 20.42 C ATOM 78 C VAL A 5 -4.942 0.019 -15.612 1.00 50.12 C ATOM 79 O VAL A 5 -3.868 -0.545 -15.818 1.00 53.43 O ATOM 80 CB VAL A 5 -4.638 2.519 -16.022 1.00 51.24 C ATOM 81 CG1 VAL A 5 -5.483 2.374 -17.290 1.00 2.12 C ATOM 82 CG2 VAL A 5 -4.808 3.909 -15.406 1.00 53.10 C ATOM 0 H VAL A 5 -3.369 2.235 -13.938 1.00 73.42 H new ATOM 0 HA VAL A 5 -6.000 1.612 -14.680 1.00 20.42 H new ATOM 0 HB VAL A 5 -3.591 2.403 -16.302 1.00 51.24 H new ATOM 0 HG11 VAL A 5 -5.222 3.164 -17.994 1.00 2.12 H new ATOM 0 HG12 VAL A 5 -5.290 1.403 -17.747 1.00 2.12 H new ATOM 0 HG13 VAL A 5 -6.540 2.451 -17.034 1.00 2.12 H new ATOM 0 HG21 VAL A 5 -4.560 4.668 -16.147 1.00 53.10 H new ATOM 0 HG22 VAL A 5 -5.841 4.040 -15.084 1.00 53.10 H new ATOM 0 HG23 VAL A 5 -4.144 4.010 -14.547 1.00 53.10 H new ATOM 92 N VAL A 6 -6.129 -0.506 -15.879 1.00 23.55 N ATOM 93 CA VAL A 6 -6.247 -1.835 -16.454 1.00 64.42 C ATOM 94 C VAL A 6 -7.313 -1.819 -17.551 1.00 13.31 C ATOM 95 O VAL A 6 -8.452 -1.423 -17.308 1.00 34.11 O ATOM 96 CB VAL A 6 -6.536 -2.858 -15.354 1.00 32.50 C ATOM 97 CG1 VAL A 6 -6.884 -4.223 -15.952 1.00 54.01 C ATOM 98 CG2 VAL A 6 -5.358 -2.969 -14.384 1.00 60.23 C ATOM 0 H VAL A 6 -7.017 -0.035 -15.708 1.00 23.55 H new ATOM 0 HA VAL A 6 -5.307 -2.134 -16.918 1.00 64.42 H new ATOM 0 HB VAL A 6 -7.401 -2.508 -14.791 1.00 32.50 H new ATOM 0 HG11 VAL A 6 -7.085 -4.932 -15.149 1.00 54.01 H new ATOM 0 HG12 VAL A 6 -7.768 -4.129 -16.583 1.00 54.01 H new ATOM 0 HG13 VAL A 6 -6.047 -4.582 -16.551 1.00 54.01 H new ATOM 0 HG21 VAL A 6 -5.590 -3.703 -13.612 1.00 60.23 H new ATOM 0 HG22 VAL A 6 -4.467 -3.284 -14.928 1.00 60.23 H new ATOM 0 HG23 VAL A 6 -5.176 -2.000 -13.920 1.00 60.23 H new ATOM 108 N ALA A 7 -6.906 -2.253 -18.735 1.00 33.05 N ATOM 109 CA ALA A 7 -7.813 -2.293 -19.869 1.00 41.13 C ATOM 110 C ALA A 7 -9.090 -3.035 -19.470 1.00 51.23 C ATOM 111 O ALA A 7 -9.113 -4.264 -19.435 1.00 23.24 O ATOM 112 CB ALA A 7 -7.109 -2.943 -21.062 1.00 74.13 C ATOM 0 H ALA A 7 -5.960 -2.580 -18.933 1.00 33.05 H new ATOM 0 HA ALA A 7 -8.098 -1.285 -20.168 1.00 41.13 H new ATOM 0 HB1 ALA A 7 -7.789 -2.973 -21.913 1.00 74.13 H new ATOM 0 HB2 ALA A 7 -6.225 -2.361 -21.324 1.00 74.13 H new ATOM 0 HB3 ALA A 7 -6.811 -3.958 -20.800 1.00 74.13 H new ATOM 118 N ALA A 8 -10.122 -2.257 -19.180 1.00 54.44 N ATOM 119 CA ALA A 8 -11.400 -2.824 -18.785 1.00 71.53 C ATOM 120 C ALA A 8 -11.979 -3.628 -19.952 1.00 24.13 C ATOM 121 O ALA A 8 -12.932 -4.385 -19.776 1.00 55.32 O ATOM 122 CB ALA A 8 -12.337 -1.705 -18.327 1.00 41.23 C ATOM 0 H ALA A 8 -10.099 -1.238 -19.211 1.00 54.44 H new ATOM 0 HA ALA A 8 -11.273 -3.506 -17.945 1.00 71.53 H new ATOM 0 HB1 ALA A 8 -13.295 -2.131 -18.031 1.00 41.23 H new ATOM 0 HB2 ALA A 8 -11.894 -1.184 -17.478 1.00 41.23 H new ATOM 0 HB3 ALA A 8 -12.490 -1.001 -19.145 1.00 41.23 H new ATOM 128 N VAL A 9 -11.377 -3.437 -21.116 1.00 51.45 N ATOM 129 CA VAL A 9 -11.821 -4.134 -22.311 1.00 65.25 C ATOM 130 C VAL A 9 -10.659 -4.228 -23.303 1.00 0.51 C ATOM 131 O VAL A 9 -9.633 -3.573 -23.126 1.00 23.14 O ATOM 132 CB VAL A 9 -13.052 -3.439 -22.897 1.00 24.13 C ATOM 133 CG1 VAL A 9 -14.242 -3.535 -21.940 1.00 62.01 C ATOM 134 CG2 VAL A 9 -12.744 -1.981 -23.245 1.00 72.43 C ATOM 0 H VAL A 9 -10.585 -2.810 -21.257 1.00 51.45 H new ATOM 0 HA VAL A 9 -12.125 -5.152 -22.068 1.00 65.25 H new ATOM 0 HB VAL A 9 -13.321 -3.954 -23.819 1.00 24.13 H new ATOM 0 HG11 VAL A 9 -15.104 -3.033 -22.380 1.00 62.01 H new ATOM 0 HG12 VAL A 9 -14.483 -4.583 -21.763 1.00 62.01 H new ATOM 0 HG13 VAL A 9 -13.988 -3.057 -20.994 1.00 62.01 H new ATOM 0 HG21 VAL A 9 -13.635 -1.510 -23.660 1.00 72.43 H new ATOM 0 HG22 VAL A 9 -12.438 -1.449 -22.344 1.00 72.43 H new ATOM 0 HG23 VAL A 9 -11.939 -1.944 -23.979 1.00 72.43 H new ATOM 144 N LEU A 10 -10.860 -5.046 -24.325 1.00 24.30 N ATOM 145 CA LEU A 10 -9.842 -5.234 -25.345 1.00 3.22 C ATOM 146 C LEU A 10 -9.607 -3.910 -26.075 1.00 11.35 C ATOM 147 O LEU A 10 -10.378 -3.539 -26.958 1.00 41.15 O ATOM 148 CB LEU A 10 -10.220 -6.389 -26.274 1.00 32.24 C ATOM 149 CG LEU A 10 -9.436 -6.481 -27.584 1.00 53.54 C ATOM 150 CD1 LEU A 10 -8.176 -7.331 -27.412 1.00 34.04 C ATOM 151 CD2 LEU A 10 -10.324 -6.995 -28.719 1.00 41.14 C ATOM 0 H LEU A 10 -11.713 -5.587 -24.469 1.00 24.30 H new ATOM 0 HA LEU A 10 -8.894 -5.520 -24.888 1.00 3.22 H new ATOM 0 HB2 LEU A 10 -10.090 -7.324 -25.730 1.00 32.24 H new ATOM 0 HB3 LEU A 10 -11.280 -6.304 -26.513 1.00 32.24 H new ATOM 0 HG LEU A 10 -9.111 -5.477 -27.858 1.00 53.54 H new ATOM 0 HD11 LEU A 10 -7.638 -7.380 -28.359 1.00 34.04 H new ATOM 0 HD12 LEU A 10 -7.535 -6.882 -26.653 1.00 34.04 H new ATOM 0 HD13 LEU A 10 -8.456 -8.338 -27.102 1.00 34.04 H new ATOM 0 HD21 LEU A 10 -9.742 -7.051 -29.639 1.00 41.14 H new ATOM 0 HD22 LEU A 10 -10.700 -7.986 -28.466 1.00 41.14 H new ATOM 0 HD23 LEU A 10 -11.163 -6.314 -28.861 1.00 41.14 H new ATOM 163 N ILE A 11 -8.539 -3.233 -25.677 1.00 75.05 N ATOM 164 CA ILE A 11 -8.194 -1.958 -26.283 1.00 23.13 C ATOM 165 C ILE A 11 -7.222 -2.195 -27.440 1.00 44.12 C ATOM 166 O ILE A 11 -6.079 -2.594 -27.224 1.00 24.41 O ATOM 167 CB ILE A 11 -7.665 -0.988 -25.224 1.00 22.30 C ATOM 168 CG1 ILE A 11 -8.267 -1.294 -23.851 1.00 1.20 C ATOM 169 CG2 ILE A 11 -7.902 0.464 -25.644 1.00 24.15 C ATOM 170 CD1 ILE A 11 -8.144 -0.088 -22.918 1.00 10.43 C ATOM 0 H ILE A 11 -7.902 -3.543 -24.943 1.00 75.05 H new ATOM 0 HA ILE A 11 -9.081 -1.483 -26.703 1.00 23.13 H new ATOM 0 HB ILE A 11 -6.587 -1.127 -25.141 1.00 22.30 H new ATOM 0 HG12 ILE A 11 -9.316 -1.567 -23.963 1.00 1.20 H new ATOM 0 HG13 ILE A 11 -7.760 -2.152 -23.411 1.00 1.20 H new ATOM 0 HG21 ILE A 11 -7.517 1.133 -24.874 1.00 24.15 H new ATOM 0 HG22 ILE A 11 -7.387 0.659 -26.585 1.00 24.15 H new ATOM 0 HG23 ILE A 11 -8.971 0.636 -25.772 1.00 24.15 H new ATOM 0 HD11 ILE A 11 -8.579 -0.332 -21.949 1.00 10.43 H new ATOM 0 HD12 ILE A 11 -7.092 0.167 -22.789 1.00 10.43 H new ATOM 0 HD13 ILE A 11 -8.673 0.762 -23.350 1.00 10.43 H new ATOM 182 N PRO A 12 -7.724 -1.932 -28.676 1.00 55.51 N ATOM 183 CA PRO A 12 -6.913 -2.112 -29.868 1.00 54.31 C ATOM 184 C PRO A 12 -5.887 -0.986 -30.008 1.00 63.00 C ATOM 185 O PRO A 12 -5.910 -0.021 -29.245 1.00 71.24 O ATOM 186 CB PRO A 12 -7.907 -2.156 -31.017 1.00 53.52 C ATOM 187 CG PRO A 12 -9.189 -1.536 -30.484 1.00 2.02 C ATOM 188 CD PRO A 12 -9.073 -1.457 -28.970 1.00 75.03 C ATOM 0 HA PRO A 12 -6.318 -3.025 -29.838 1.00 54.31 H new ATOM 0 HB2 PRO A 12 -7.534 -1.601 -31.878 1.00 53.52 H new ATOM 0 HB3 PRO A 12 -8.077 -3.181 -31.347 1.00 53.52 H new ATOM 0 HG2 PRO A 12 -9.338 -0.543 -30.908 1.00 2.02 H new ATOM 0 HG3 PRO A 12 -10.052 -2.137 -30.770 1.00 2.02 H new ATOM 0 HD2 PRO A 12 -9.220 -0.437 -28.614 1.00 75.03 H new ATOM 0 HD3 PRO A 12 -9.826 -2.076 -28.482 1.00 75.03 H new ATOM 196 N ILE A 13 -5.010 -1.147 -30.988 1.00 43.21 N ATOM 197 CA ILE A 13 -3.977 -0.156 -31.238 1.00 3.00 C ATOM 198 C ILE A 13 -4.616 1.105 -31.822 1.00 13.32 C ATOM 199 O ILE A 13 -5.654 1.032 -32.479 1.00 2.54 O ATOM 200 CB ILE A 13 -2.869 -0.746 -32.114 1.00 12.24 C ATOM 201 CG1 ILE A 13 -1.760 0.279 -32.359 1.00 2.02 C ATOM 202 CG2 ILE A 13 -3.440 -1.297 -33.422 1.00 2.01 C ATOM 203 CD1 ILE A 13 -0.394 -0.404 -32.458 1.00 34.23 C ATOM 0 H ILE A 13 -4.993 -1.949 -31.618 1.00 43.21 H new ATOM 0 HA ILE A 13 -3.494 0.134 -30.305 1.00 3.00 H new ATOM 0 HB ILE A 13 -2.420 -1.584 -31.580 1.00 12.24 H new ATOM 0 HG12 ILE A 13 -1.964 0.828 -33.279 1.00 2.02 H new ATOM 0 HG13 ILE A 13 -1.748 1.008 -31.549 1.00 2.02 H new ATOM 0 HG21 ILE A 13 -2.632 -1.710 -34.026 1.00 2.01 H new ATOM 0 HG22 ILE A 13 -4.165 -2.080 -33.201 1.00 2.01 H new ATOM 0 HG23 ILE A 13 -3.930 -0.494 -33.972 1.00 2.01 H new ATOM 0 HD11 ILE A 13 0.377 0.347 -32.632 1.00 34.23 H new ATOM 0 HD12 ILE A 13 -0.183 -0.932 -31.528 1.00 34.23 H new ATOM 0 HD13 ILE A 13 -0.402 -1.115 -33.284 1.00 34.23 H new ATOM 215 N ASN A 14 -3.971 2.233 -31.561 1.00 64.54 N ATOM 216 CA ASN A 14 -4.463 3.508 -32.053 1.00 14.01 C ATOM 217 C ASN A 14 -5.963 3.613 -31.771 1.00 14.35 C ATOM 218 O ASN A 14 -6.744 3.948 -32.660 1.00 72.42 O ATOM 219 CB ASN A 14 -4.257 3.633 -33.564 1.00 2.14 C ATOM 220 CG ASN A 14 -2.829 4.076 -33.887 1.00 5.32 C ATOM 221 OD1 ASN A 14 -2.594 4.984 -34.668 1.00 73.42 O ATOM 222 ND2 ASN A 14 -1.890 3.388 -33.244 1.00 22.40 N ATOM 0 H ASN A 14 -3.111 2.290 -31.015 1.00 64.54 H new ATOM 0 HA ASN A 14 -3.911 4.300 -31.547 1.00 14.01 H new ATOM 0 HB2 ASN A 14 -4.462 2.676 -34.043 1.00 2.14 H new ATOM 0 HB3 ASN A 14 -4.966 4.352 -33.973 1.00 2.14 H new ATOM 0 HD21 ASN A 14 -0.905 3.609 -33.391 1.00 22.40 H new ATOM 0 HD22 ASN A 14 -2.155 2.640 -32.603 1.00 22.40 H new ATOM 229 N THR A 15 -6.321 3.322 -30.529 1.00 32.14 N ATOM 230 CA THR A 15 -7.714 3.380 -30.118 1.00 22.42 C ATOM 231 C THR A 15 -7.888 4.364 -28.960 1.00 2.03 C ATOM 232 O THR A 15 -7.281 4.199 -27.903 1.00 24.51 O ATOM 233 CB THR A 15 -8.166 1.958 -29.780 1.00 33.32 C ATOM 234 OG1 THR A 15 -8.115 1.271 -31.027 1.00 41.25 O ATOM 235 CG2 THR A 15 -9.642 1.892 -29.379 1.00 45.31 C ATOM 0 H THR A 15 -5.671 3.045 -29.794 1.00 32.14 H new ATOM 0 HA THR A 15 -8.348 3.756 -30.921 1.00 22.42 H new ATOM 0 HB THR A 15 -7.551 1.566 -28.970 1.00 33.32 H new ATOM 0 HG1 THR A 15 -7.181 1.166 -31.305 1.00 41.25 H new ATOM 0 HG21 THR A 15 -9.911 0.861 -29.150 1.00 45.31 H new ATOM 0 HG22 THR A 15 -9.808 2.515 -28.500 1.00 45.31 H new ATOM 0 HG23 THR A 15 -10.259 2.253 -30.202 1.00 45.31 H new ATOM 243 N ALA A 16 -8.720 5.367 -29.198 1.00 11.11 N ATOM 244 CA ALA A 16 -8.982 6.378 -28.188 1.00 3.32 C ATOM 245 C ALA A 16 -9.431 5.696 -26.894 1.00 0.41 C ATOM 246 O ALA A 16 -10.312 4.838 -26.914 1.00 11.31 O ATOM 247 CB ALA A 16 -10.021 7.370 -28.715 1.00 45.12 C ATOM 0 H ALA A 16 -9.222 5.501 -30.076 1.00 11.11 H new ATOM 0 HA ALA A 16 -8.076 6.942 -27.966 1.00 3.32 H new ATOM 0 HB1 ALA A 16 -10.217 8.128 -27.957 1.00 45.12 H new ATOM 0 HB2 ALA A 16 -9.642 7.849 -29.618 1.00 45.12 H new ATOM 0 HB3 ALA A 16 -10.945 6.840 -28.946 1.00 45.12 H new ATOM 253 N LEU A 17 -8.805 6.104 -25.800 1.00 23.33 N ATOM 254 CA LEU A 17 -9.129 5.543 -24.499 1.00 60.42 C ATOM 255 C LEU A 17 -10.306 6.312 -23.896 1.00 2.03 C ATOM 256 O LEU A 17 -10.391 7.531 -24.033 1.00 42.43 O ATOM 257 CB LEU A 17 -7.889 5.514 -23.604 1.00 2.24 C ATOM 258 CG LEU A 17 -6.729 4.643 -24.091 1.00 73.11 C ATOM 259 CD1 LEU A 17 -5.460 4.918 -23.283 1.00 23.31 C ATOM 260 CD2 LEU A 17 -7.111 3.161 -24.073 1.00 12.55 C ATOM 0 H LEU A 17 -8.075 6.816 -25.788 1.00 23.33 H new ATOM 0 HA LEU A 17 -9.445 4.505 -24.599 1.00 60.42 H new ATOM 0 HB2 LEU A 17 -7.526 6.535 -23.487 1.00 2.24 H new ATOM 0 HB3 LEU A 17 -8.188 5.167 -22.615 1.00 2.24 H new ATOM 0 HG LEU A 17 -6.514 4.907 -25.126 1.00 73.11 H new ATOM 0 HD11 LEU A 17 -4.651 4.286 -23.650 1.00 23.31 H new ATOM 0 HD12 LEU A 17 -5.179 5.966 -23.391 1.00 23.31 H new ATOM 0 HD13 LEU A 17 -5.644 4.699 -22.231 1.00 23.31 H new ATOM 0 HD21 LEU A 17 -6.269 2.564 -24.424 1.00 12.55 H new ATOM 0 HD22 LEU A 17 -7.368 2.864 -23.056 1.00 12.55 H new ATOM 0 HD23 LEU A 17 -7.968 2.998 -24.726 1.00 12.55 H new ATOM 272 N THR A 18 -11.184 5.568 -23.240 1.00 71.20 N ATOM 273 CA THR A 18 -12.352 6.165 -22.615 1.00 72.40 C ATOM 274 C THR A 18 -12.406 5.803 -21.130 1.00 22.45 C ATOM 275 O THR A 18 -11.567 5.047 -20.640 1.00 52.34 O ATOM 276 CB THR A 18 -13.588 5.713 -23.395 1.00 54.44 C ATOM 277 OG1 THR A 18 -13.495 4.291 -23.402 1.00 11.55 O ATOM 278 CG2 THR A 18 -13.520 6.098 -24.875 1.00 24.32 C ATOM 0 H THR A 18 -11.110 4.557 -23.128 1.00 71.20 H new ATOM 0 HA THR A 18 -12.307 7.253 -22.651 1.00 72.40 H new ATOM 0 HB THR A 18 -14.480 6.151 -22.946 1.00 54.44 H new ATOM 0 HG1 THR A 18 -14.385 3.904 -23.268 1.00 11.55 H new ATOM 0 HG21 THR A 18 -14.421 5.754 -25.382 1.00 24.32 H new ATOM 0 HG22 THR A 18 -13.444 7.182 -24.966 1.00 24.32 H new ATOM 0 HG23 THR A 18 -12.646 5.633 -25.332 1.00 24.32 H new ATOM 286 N VAL A 19 -13.400 6.359 -20.453 1.00 72.43 N ATOM 287 CA VAL A 19 -13.574 6.104 -19.033 1.00 72.24 C ATOM 288 C VAL A 19 -14.306 4.774 -18.844 1.00 75.23 C ATOM 289 O VAL A 19 -14.333 4.227 -17.743 1.00 31.21 O ATOM 290 CB VAL A 19 -14.295 7.282 -18.375 1.00 22.13 C ATOM 291 CG1 VAL A 19 -15.813 7.099 -18.435 1.00 24.04 C ATOM 292 CG2 VAL A 19 -13.822 7.477 -16.933 1.00 33.44 C ATOM 0 H VAL A 19 -14.093 6.985 -20.862 1.00 72.43 H new ATOM 0 HA VAL A 19 -12.606 6.015 -18.539 1.00 72.24 H new ATOM 0 HB VAL A 19 -14.045 8.183 -18.935 1.00 22.13 H new ATOM 0 HG11 VAL A 19 -16.301 7.950 -17.960 1.00 24.04 H new ATOM 0 HG12 VAL A 19 -16.131 7.032 -19.476 1.00 24.04 H new ATOM 0 HG13 VAL A 19 -16.090 6.184 -17.912 1.00 24.04 H new ATOM 0 HG21 VAL A 19 -14.350 8.320 -16.488 1.00 33.44 H new ATOM 0 HG22 VAL A 19 -14.029 6.575 -16.357 1.00 33.44 H new ATOM 0 HG23 VAL A 19 -12.750 7.675 -16.925 1.00 33.44 H new ATOM 302 N GLY A 20 -14.883 4.292 -19.936 1.00 22.24 N ATOM 303 CA GLY A 20 -15.613 3.036 -19.904 1.00 14.22 C ATOM 304 C GLY A 20 -14.799 1.911 -20.546 1.00 2.41 C ATOM 305 O GLY A 20 -15.321 0.825 -20.793 1.00 42.54 O ATOM 0 H GLY A 20 -14.860 4.749 -20.848 1.00 22.24 H new ATOM 0 HA2 GLY A 20 -15.850 2.775 -18.872 1.00 14.22 H new ATOM 0 HA3 GLY A 20 -16.561 3.149 -20.430 1.00 14.22 H new ATOM 309 N MET A 21 -13.533 2.210 -20.797 1.00 43.12 N ATOM 310 CA MET A 21 -12.641 1.238 -21.406 1.00 21.43 C ATOM 311 C MET A 21 -11.547 0.809 -20.426 1.00 23.20 C ATOM 312 O MET A 21 -11.104 -0.339 -20.447 1.00 55.21 O ATOM 313 CB MET A 21 -11.999 1.845 -22.655 1.00 22.14 C ATOM 314 CG MET A 21 -12.764 1.440 -23.916 1.00 50.53 C ATOM 315 SD MET A 21 -11.617 0.992 -25.208 1.00 71.43 S ATOM 316 CE MET A 21 -10.622 2.472 -25.268 1.00 11.33 C ATOM 0 H MET A 21 -13.104 3.112 -20.590 1.00 43.12 H new ATOM 0 HA MET A 21 -13.224 0.358 -21.678 1.00 21.43 H new ATOM 0 HB2 MET A 21 -11.983 2.931 -22.568 1.00 22.14 H new ATOM 0 HB3 MET A 21 -10.963 1.516 -22.732 1.00 22.14 H new ATOM 0 HG2 MET A 21 -13.424 0.601 -23.697 1.00 50.53 H new ATOM 0 HG3 MET A 21 -13.396 2.264 -24.249 1.00 50.53 H new ATOM 0 HE1 MET A 21 -10.034 2.478 -26.186 1.00 11.33 H new ATOM 0 HE2 MET A 21 -11.271 3.348 -25.247 1.00 11.33 H new ATOM 0 HE3 MET A 21 -9.953 2.496 -24.408 1.00 11.33 H new ATOM 326 N MET A 22 -11.141 1.754 -19.590 1.00 74.25 N ATOM 327 CA MET A 22 -10.107 1.488 -18.605 1.00 13.32 C ATOM 328 C MET A 22 -10.720 1.179 -17.237 1.00 42.03 C ATOM 329 O MET A 22 -11.935 1.257 -17.065 1.00 53.34 O ATOM 330 CB MET A 22 -9.188 2.705 -18.489 1.00 44.40 C ATOM 331 CG MET A 22 -8.376 2.904 -19.771 1.00 74.42 C ATOM 332 SD MET A 22 -7.605 4.513 -19.763 1.00 53.30 S ATOM 333 CE MET A 22 -9.033 5.542 -20.060 1.00 51.52 C ATOM 0 H MET A 22 -11.510 2.705 -19.575 1.00 74.25 H new ATOM 0 HA MET A 22 -9.535 0.619 -18.931 1.00 13.32 H new ATOM 0 HB2 MET A 22 -9.783 3.596 -18.289 1.00 44.40 H new ATOM 0 HB3 MET A 22 -8.513 2.576 -17.643 1.00 44.40 H new ATOM 0 HG2 MET A 22 -7.615 2.128 -19.853 1.00 74.42 H new ATOM 0 HG3 MET A 22 -9.025 2.807 -20.641 1.00 74.42 H new ATOM 0 HE1 MET A 22 -8.712 6.570 -20.227 1.00 51.52 H new ATOM 0 HE2 MET A 22 -9.565 5.180 -20.940 1.00 51.52 H new ATOM 0 HE3 MET A 22 -9.695 5.505 -19.195 1.00 51.52 H new ATOM 343 N THR A 23 -9.850 0.834 -16.299 1.00 40.22 N ATOM 344 CA THR A 23 -10.290 0.513 -14.952 1.00 71.22 C ATOM 345 C THR A 23 -9.111 0.570 -13.978 1.00 75.54 C ATOM 346 O THR A 23 -7.963 0.710 -14.396 1.00 21.42 O ATOM 347 CB THR A 23 -10.979 -0.853 -14.993 1.00 53.52 C ATOM 348 OG1 THR A 23 -11.912 -0.803 -13.917 1.00 50.01 O ATOM 349 CG2 THR A 23 -10.036 -1.996 -14.616 1.00 23.40 C ATOM 0 H THR A 23 -8.843 0.770 -16.445 1.00 40.22 H new ATOM 0 HA THR A 23 -11.009 1.245 -14.586 1.00 71.22 H new ATOM 0 HB THR A 23 -11.379 -1.028 -15.992 1.00 53.52 H new ATOM 0 HG1 THR A 23 -12.404 -1.649 -13.871 1.00 50.01 H new ATOM 0 HG21 THR A 23 -10.575 -2.942 -14.661 1.00 23.40 H new ATOM 0 HG22 THR A 23 -9.199 -2.022 -15.313 1.00 23.40 H new ATOM 0 HG23 THR A 23 -9.661 -1.840 -13.604 1.00 23.40 H new ATOM 357 N THR A 24 -9.437 0.458 -12.699 1.00 24.11 N ATOM 358 CA THR A 24 -8.419 0.495 -11.662 1.00 71.22 C ATOM 359 C THR A 24 -8.291 -0.874 -10.992 1.00 30.52 C ATOM 360 O THR A 24 -9.288 -1.461 -10.575 1.00 35.22 O ATOM 361 CB THR A 24 -8.778 1.618 -10.687 1.00 72.40 C ATOM 362 OG1 THR A 24 -10.033 1.217 -10.143 1.00 42.01 O ATOM 363 CG2 THR A 24 -9.085 2.936 -11.400 1.00 11.33 C ATOM 0 H THR A 24 -10.391 0.342 -12.357 1.00 24.11 H new ATOM 0 HA THR A 24 -7.436 0.710 -12.080 1.00 71.22 H new ATOM 0 HB THR A 24 -7.956 1.767 -9.986 1.00 72.40 H new ATOM 0 HG1 THR A 24 -9.884 0.694 -9.327 1.00 42.01 H new ATOM 0 HG21 THR A 24 -9.334 3.699 -10.663 1.00 11.33 H new ATOM 0 HG22 THR A 24 -8.212 3.253 -11.970 1.00 11.33 H new ATOM 0 HG23 THR A 24 -9.929 2.796 -12.076 1.00 11.33 H new ATOM 371 N ARG A 25 -7.055 -1.344 -10.909 1.00 2.21 N ATOM 372 CA ARG A 25 -6.783 -2.633 -10.296 1.00 73.12 C ATOM 373 C ARG A 25 -5.307 -2.735 -9.907 1.00 33.44 C ATOM 374 O ARG A 25 -4.428 -2.642 -10.762 1.00 10.44 O ATOM 375 CB ARG A 25 -7.133 -3.779 -11.247 1.00 73.42 C ATOM 376 CG ARG A 25 -8.284 -4.621 -10.692 1.00 13.42 C ATOM 377 CD ARG A 25 -9.615 -4.222 -11.334 1.00 45.30 C ATOM 378 NE ARG A 25 -10.196 -5.377 -12.054 1.00 4.12 N ATOM 379 CZ ARG A 25 -11.485 -5.453 -12.448 1.00 4.31 C ATOM 380 NH1 ARG A 25 -12.339 -4.439 -12.195 1.00 12.24 N ATOM 381 NH2 ARG A 25 -11.897 -6.533 -13.085 1.00 22.04 N ATOM 0 H ARG A 25 -6.230 -0.855 -11.256 1.00 2.21 H new ATOM 0 HA ARG A 25 -7.404 -2.714 -9.404 1.00 73.12 H new ATOM 0 HB2 ARG A 25 -7.410 -3.376 -12.221 1.00 73.42 H new ATOM 0 HB3 ARG A 25 -6.257 -4.410 -11.400 1.00 73.42 H new ATOM 0 HG2 ARG A 25 -8.089 -5.677 -10.877 1.00 13.42 H new ATOM 0 HG3 ARG A 25 -8.345 -4.493 -9.611 1.00 13.42 H new ATOM 0 HD2 ARG A 25 -10.308 -3.875 -10.568 1.00 45.30 H new ATOM 0 HD3 ARG A 25 -9.461 -3.393 -12.024 1.00 45.30 H new ATOM 0 HE ARG A 25 -9.584 -6.165 -12.266 1.00 4.12 H new ATOM 0 HH11 ARG A 25 -12.012 -3.608 -11.703 1.00 12.24 H new ATOM 0 HH12 ARG A 25 -13.311 -4.504 -12.496 1.00 12.24 H new ATOM 0 HH21 ARG A 25 -11.245 -7.294 -13.273 1.00 22.04 H new ATOM 0 HH22 ARG A 25 -12.868 -6.606 -13.389 1.00 22.04 H new ATOM 394 N VAL A 26 -5.081 -2.926 -8.615 1.00 70.32 N ATOM 395 CA VAL A 26 -3.727 -3.042 -8.102 1.00 24.31 C ATOM 396 C VAL A 26 -3.085 -4.318 -8.652 1.00 42.41 C ATOM 397 O VAL A 26 -3.095 -5.356 -7.993 1.00 72.12 O ATOM 398 CB VAL A 26 -3.740 -2.992 -6.573 1.00 14.22 C ATOM 399 CG1 VAL A 26 -4.815 -3.920 -6.003 1.00 41.02 C ATOM 400 CG2 VAL A 26 -2.363 -3.332 -6.001 1.00 3.44 C ATOM 0 H VAL A 26 -5.813 -3.003 -7.909 1.00 70.32 H new ATOM 0 HA VAL A 26 -3.119 -2.201 -8.437 1.00 24.31 H new ATOM 0 HB VAL A 26 -3.984 -1.973 -6.274 1.00 14.22 H new ATOM 0 HG11 VAL A 26 -4.803 -3.865 -4.914 1.00 41.02 H new ATOM 0 HG12 VAL A 26 -5.794 -3.612 -6.371 1.00 41.02 H new ATOM 0 HG13 VAL A 26 -4.615 -4.944 -6.317 1.00 41.02 H new ATOM 0 HG21 VAL A 26 -2.400 -3.289 -4.912 1.00 3.44 H new ATOM 0 HG22 VAL A 26 -2.076 -4.336 -6.315 1.00 3.44 H new ATOM 0 HG23 VAL A 26 -1.629 -2.614 -6.367 1.00 3.44 H new ATOM 410 N VAL A 27 -2.541 -4.197 -9.854 1.00 74.14 N ATOM 411 CA VAL A 27 -1.896 -5.327 -10.501 1.00 31.22 C ATOM 412 C VAL A 27 -0.379 -5.133 -10.462 1.00 60.31 C ATOM 413 O VAL A 27 0.104 -4.048 -10.142 1.00 32.45 O ATOM 414 CB VAL A 27 -2.441 -5.499 -11.920 1.00 62.32 C ATOM 415 CG1 VAL A 27 -3.970 -5.465 -11.928 1.00 54.14 C ATOM 416 CG2 VAL A 27 -1.863 -4.440 -12.861 1.00 54.01 C ATOM 0 H VAL A 27 -2.534 -3.334 -10.397 1.00 74.14 H new ATOM 0 HA VAL A 27 -2.119 -6.251 -9.968 1.00 31.22 H new ATOM 0 HB VAL A 27 -2.127 -6.477 -12.284 1.00 62.32 H new ATOM 0 HG11 VAL A 27 -4.331 -5.589 -12.949 1.00 54.14 H new ATOM 0 HG12 VAL A 27 -4.355 -6.273 -11.306 1.00 54.14 H new ATOM 0 HG13 VAL A 27 -4.315 -4.508 -11.535 1.00 54.14 H new ATOM 0 HG21 VAL A 27 -2.266 -4.585 -13.863 1.00 54.01 H new ATOM 0 HG22 VAL A 27 -2.133 -3.447 -12.501 1.00 54.01 H new ATOM 0 HG23 VAL A 27 -0.777 -4.533 -12.890 1.00 54.01 H new ATOM 426 N SER A 28 0.331 -6.202 -10.793 1.00 73.02 N ATOM 427 CA SER A 28 1.783 -6.163 -10.800 1.00 62.13 C ATOM 428 C SER A 28 2.314 -6.684 -12.137 1.00 41.35 C ATOM 429 O SER A 28 1.865 -7.719 -12.627 1.00 53.54 O ATOM 430 CB SER A 28 2.362 -6.982 -9.645 1.00 13.24 C ATOM 431 OG SER A 28 3.611 -6.463 -9.196 1.00 20.31 O ATOM 0 H SER A 28 -0.073 -7.100 -11.058 1.00 73.02 H new ATOM 0 HA SER A 28 2.097 -5.128 -10.669 1.00 62.13 H new ATOM 0 HB2 SER A 28 1.654 -6.991 -8.816 1.00 13.24 H new ATOM 0 HB3 SER A 28 2.493 -8.016 -9.964 1.00 13.24 H new ATOM 0 HG SER A 28 3.947 -7.012 -8.457 1.00 20.31 H new ATOM 437 N PRO A 29 3.288 -5.923 -12.705 1.00 1.44 N ATOM 438 CA PRO A 29 3.763 -4.711 -12.058 1.00 22.41 C ATOM 439 C PRO A 29 2.746 -3.578 -12.202 1.00 13.25 C ATOM 440 O PRO A 29 1.963 -3.558 -13.150 1.00 50.12 O ATOM 441 CB PRO A 29 5.093 -4.404 -12.727 1.00 22.15 C ATOM 442 CG PRO A 29 5.093 -5.182 -14.033 1.00 15.43 C ATOM 443 CD PRO A 29 3.960 -6.194 -13.972 1.00 25.12 C ATOM 0 HA PRO A 29 3.891 -4.831 -10.982 1.00 22.41 H new ATOM 0 HB2 PRO A 29 5.201 -3.335 -12.910 1.00 22.15 H new ATOM 0 HB3 PRO A 29 5.927 -4.705 -12.093 1.00 22.15 H new ATOM 0 HG2 PRO A 29 4.958 -4.508 -14.879 1.00 15.43 H new ATOM 0 HG3 PRO A 29 6.048 -5.687 -14.177 1.00 15.43 H new ATOM 0 HD2 PRO A 29 3.279 -6.077 -14.815 1.00 25.12 H new ATOM 0 HD3 PRO A 29 4.339 -7.215 -14.009 1.00 25.12 H new ATOM 451 N THR A 30 2.790 -2.661 -11.246 1.00 31.32 N ATOM 452 CA THR A 30 1.882 -1.527 -11.254 1.00 33.11 C ATOM 453 C THR A 30 2.236 -0.568 -12.392 1.00 62.22 C ATOM 454 O THR A 30 3.363 -0.081 -12.470 1.00 61.53 O ATOM 455 CB THR A 30 1.929 -0.873 -9.872 1.00 25.35 C ATOM 456 OG1 THR A 30 3.319 -0.825 -9.558 1.00 34.30 O ATOM 457 CG2 THR A 30 1.332 -1.765 -8.781 1.00 51.11 C ATOM 0 H THR A 30 3.441 -2.681 -10.461 1.00 31.32 H new ATOM 0 HA THR A 30 0.857 -1.844 -11.445 1.00 33.11 H new ATOM 0 HB THR A 30 1.391 0.075 -9.901 1.00 25.35 H new ATOM 0 HG1 THR A 30 3.825 -0.561 -10.354 1.00 34.30 H new ATOM 0 HG21 THR A 30 1.390 -1.253 -7.820 1.00 51.11 H new ATOM 0 HG22 THR A 30 0.289 -1.978 -9.016 1.00 51.11 H new ATOM 0 HG23 THR A 30 1.891 -2.699 -8.729 1.00 51.11 H new ATOM 465 N GLY A 31 1.253 -0.326 -13.246 1.00 41.44 N ATOM 466 CA GLY A 31 1.447 0.566 -14.377 1.00 0.40 C ATOM 467 C GLY A 31 0.832 1.940 -14.103 1.00 42.52 C ATOM 468 O GLY A 31 0.769 2.379 -12.956 1.00 32.45 O ATOM 0 H GLY A 31 0.320 -0.732 -13.178 1.00 41.44 H new ATOM 0 HA2 GLY A 31 2.512 0.674 -14.581 1.00 0.40 H new ATOM 0 HA3 GLY A 31 0.994 0.132 -15.269 1.00 0.40 H new ATOM 472 N ILE A 32 0.395 2.582 -15.177 1.00 13.14 N ATOM 473 CA ILE A 32 -0.213 3.897 -15.066 1.00 41.45 C ATOM 474 C ILE A 32 -1.120 3.934 -13.835 1.00 3.03 C ATOM 475 O ILE A 32 -1.788 2.950 -13.522 1.00 24.23 O ATOM 476 CB ILE A 32 -0.928 4.268 -16.367 1.00 44.15 C ATOM 477 CG1 ILE A 32 0.064 4.366 -17.529 1.00 13.31 C ATOM 478 CG2 ILE A 32 -1.742 5.552 -16.199 1.00 10.31 C ATOM 479 CD1 ILE A 32 -0.662 4.643 -18.847 1.00 61.42 C ATOM 0 H ILE A 32 0.450 2.216 -16.127 1.00 13.14 H new ATOM 0 HA ILE A 32 0.553 4.659 -14.921 1.00 41.45 H new ATOM 0 HB ILE A 32 -1.631 3.471 -16.609 1.00 44.15 H new ATOM 0 HG12 ILE A 32 0.783 5.161 -17.332 1.00 13.31 H new ATOM 0 HG13 ILE A 32 0.629 3.437 -17.609 1.00 13.31 H new ATOM 0 HG21 ILE A 32 -2.240 5.793 -17.138 1.00 10.31 H new ATOM 0 HG22 ILE A 32 -2.489 5.410 -15.418 1.00 10.31 H new ATOM 0 HG23 ILE A 32 -1.078 6.370 -15.920 1.00 10.31 H new ATOM 0 HD11 ILE A 32 0.065 4.708 -19.656 1.00 61.42 H new ATOM 0 HD12 ILE A 32 -1.363 3.834 -19.053 1.00 61.42 H new ATOM 0 HD13 ILE A 32 -1.206 5.584 -18.772 1.00 61.42 H new ATOM 491 N PRO A 33 -1.114 5.110 -13.151 1.00 62.14 N ATOM 492 CA PRO A 33 -1.927 5.288 -11.961 1.00 35.21 C ATOM 493 C PRO A 33 -3.402 5.468 -12.326 1.00 73.35 C ATOM 494 O PRO A 33 -3.722 5.943 -13.415 1.00 12.11 O ATOM 495 CB PRO A 33 -1.337 6.500 -11.259 1.00 35.35 C ATOM 496 CG PRO A 33 -0.518 7.232 -12.309 1.00 21.04 C ATOM 497 CD PRO A 33 -0.335 6.297 -13.493 1.00 33.12 C ATOM 0 HA PRO A 33 -1.910 4.417 -11.306 1.00 35.21 H new ATOM 0 HB2 PRO A 33 -2.123 7.141 -10.860 1.00 35.35 H new ATOM 0 HB3 PRO A 33 -0.713 6.199 -10.417 1.00 35.35 H new ATOM 0 HG2 PRO A 33 -1.024 8.146 -12.619 1.00 21.04 H new ATOM 0 HG3 PRO A 33 0.449 7.526 -11.902 1.00 21.04 H new ATOM 0 HD2 PRO A 33 -0.692 6.753 -14.416 1.00 33.12 H new ATOM 0 HD3 PRO A 33 0.716 6.051 -13.645 1.00 33.12 H new ATOM 505 N ALA A 34 -4.261 5.078 -11.396 1.00 53.20 N ATOM 506 CA ALA A 34 -5.695 5.191 -11.607 1.00 24.34 C ATOM 507 C ALA A 34 -6.071 6.667 -11.747 1.00 2.13 C ATOM 508 O ALA A 34 -7.178 6.991 -12.173 1.00 50.42 O ATOM 509 CB ALA A 34 -6.435 4.507 -10.455 1.00 51.04 C ATOM 0 H ALA A 34 -3.992 4.683 -10.495 1.00 53.20 H new ATOM 0 HA ALA A 34 -5.989 4.688 -12.528 1.00 24.34 H new ATOM 0 HB1 ALA A 34 -7.510 4.591 -10.612 1.00 51.04 H new ATOM 0 HB2 ALA A 34 -6.155 3.454 -10.417 1.00 51.04 H new ATOM 0 HB3 ALA A 34 -6.167 4.988 -9.514 1.00 51.04 H new ATOM 515 N GLU A 35 -5.128 7.522 -11.380 1.00 10.45 N ATOM 516 CA GLU A 35 -5.347 8.957 -11.459 1.00 24.31 C ATOM 517 C GLU A 35 -5.083 9.456 -12.881 1.00 31.10 C ATOM 518 O GLU A 35 -5.433 10.585 -13.221 1.00 44.20 O ATOM 519 CB GLU A 35 -4.474 9.701 -10.446 1.00 55.21 C ATOM 520 CG GLU A 35 -3.052 9.886 -10.979 1.00 10.05 C ATOM 521 CD GLU A 35 -2.056 10.067 -9.831 1.00 73.30 C ATOM 522 OE1 GLU A 35 -0.924 10.518 -10.058 1.00 41.31 O ATOM 523 OE2 GLU A 35 -2.495 9.720 -8.669 1.00 13.35 O ATOM 0 H GLU A 35 -4.211 7.249 -11.027 1.00 10.45 H new ATOM 0 HA GLU A 35 -6.389 9.161 -11.211 1.00 24.31 H new ATOM 0 HB2 GLU A 35 -4.914 10.674 -10.227 1.00 55.21 H new ATOM 0 HB3 GLU A 35 -4.445 9.146 -9.508 1.00 55.21 H new ATOM 0 HG2 GLU A 35 -2.769 9.021 -11.578 1.00 10.05 H new ATOM 0 HG3 GLU A 35 -3.016 10.754 -11.637 1.00 10.05 H new ATOM 531 N ASP A 36 -4.469 8.590 -13.674 1.00 3.04 N ATOM 532 CA ASP A 36 -4.154 8.929 -15.051 1.00 73.11 C ATOM 533 C ASP A 36 -5.276 8.428 -15.964 1.00 4.13 C ATOM 534 O ASP A 36 -5.281 8.713 -17.160 1.00 61.02 O ATOM 535 CB ASP A 36 -2.850 8.266 -15.497 1.00 62.35 C ATOM 536 CG ASP A 36 -1.660 9.215 -15.647 1.00 4.43 C ATOM 537 OD1 ASP A 36 -1.394 10.050 -14.769 1.00 32.34 O ATOM 538 OD2 ASP A 36 -0.981 9.072 -16.734 1.00 40.24 O ATOM 0 H ASP A 36 -4.181 7.654 -13.389 1.00 3.04 H new ATOM 0 HA ASP A 36 -4.048 10.012 -15.116 1.00 73.11 H new ATOM 0 HB2 ASP A 36 -2.589 7.491 -14.776 1.00 62.35 H new ATOM 0 HB3 ASP A 36 -3.021 7.768 -16.452 1.00 62.35 H new ATOM 544 N ILE A 37 -6.198 7.691 -15.364 1.00 34.43 N ATOM 545 CA ILE A 37 -7.322 7.148 -16.107 1.00 74.55 C ATOM 546 C ILE A 37 -8.027 8.280 -16.857 1.00 71.23 C ATOM 547 O ILE A 37 -8.304 8.161 -18.050 1.00 14.23 O ATOM 548 CB ILE A 37 -8.246 6.356 -15.180 1.00 33.22 C ATOM 549 CG1 ILE A 37 -7.841 4.881 -15.131 1.00 14.11 C ATOM 550 CG2 ILE A 37 -9.712 6.535 -15.582 1.00 64.11 C ATOM 551 CD1 ILE A 37 -8.958 4.026 -14.529 1.00 71.30 C ATOM 0 H ILE A 37 -6.190 7.457 -14.371 1.00 34.43 H new ATOM 0 HA ILE A 37 -6.974 6.436 -16.856 1.00 74.55 H new ATOM 0 HB ILE A 37 -8.138 6.753 -14.171 1.00 33.22 H new ATOM 0 HG12 ILE A 37 -7.611 4.530 -16.137 1.00 14.11 H new ATOM 0 HG13 ILE A 37 -6.933 4.769 -14.539 1.00 14.11 H new ATOM 0 HG21 ILE A 37 -10.347 5.961 -14.907 1.00 64.11 H new ATOM 0 HG22 ILE A 37 -9.979 7.590 -15.523 1.00 64.11 H new ATOM 0 HG23 ILE A 37 -9.855 6.181 -16.603 1.00 64.11 H new ATOM 0 HD11 ILE A 37 -8.645 2.982 -14.506 1.00 71.30 H new ATOM 0 HD12 ILE A 37 -9.169 4.364 -13.515 1.00 71.30 H new ATOM 0 HD13 ILE A 37 -9.857 4.121 -15.137 1.00 71.30 H new ATOM 563 N PRO A 38 -8.304 9.381 -16.108 1.00 23.50 N ATOM 564 CA PRO A 38 -8.971 10.533 -16.689 1.00 43.10 C ATOM 565 C PRO A 38 -8.012 11.333 -17.573 1.00 51.42 C ATOM 566 O PRO A 38 -8.427 12.266 -18.260 1.00 32.32 O ATOM 567 CB PRO A 38 -9.488 11.329 -15.501 1.00 64.45 C ATOM 568 CG PRO A 38 -8.696 10.843 -14.298 1.00 44.32 C ATOM 569 CD PRO A 38 -7.990 9.556 -14.693 1.00 0.30 C ATOM 0 HA PRO A 38 -9.790 10.255 -17.352 1.00 43.10 H new ATOM 0 HB2 PRO A 38 -9.346 12.399 -15.656 1.00 64.45 H new ATOM 0 HB3 PRO A 38 -10.556 11.167 -15.357 1.00 64.45 H new ATOM 0 HG2 PRO A 38 -7.971 11.596 -13.989 1.00 44.32 H new ATOM 0 HG3 PRO A 38 -9.358 10.670 -13.450 1.00 44.32 H new ATOM 0 HD2 PRO A 38 -6.914 9.629 -14.532 1.00 0.30 H new ATOM 0 HD3 PRO A 38 -8.345 8.712 -14.101 1.00 0.30 H new ATOM 577 N ARG A 39 -6.748 10.940 -17.528 1.00 21.32 N ATOM 578 CA ARG A 39 -5.727 11.608 -18.316 1.00 40.54 C ATOM 579 C ARG A 39 -5.467 10.837 -19.612 1.00 52.51 C ATOM 580 O ARG A 39 -4.930 11.390 -20.571 1.00 1.45 O ATOM 581 CB ARG A 39 -4.419 11.731 -17.533 1.00 45.20 C ATOM 582 CG ARG A 39 -4.636 12.480 -16.216 1.00 61.43 C ATOM 583 CD ARG A 39 -3.323 12.620 -15.442 1.00 55.24 C ATOM 584 NE ARG A 39 -2.390 13.498 -16.184 1.00 34.42 N ATOM 585 CZ ARG A 39 -1.530 13.061 -17.128 1.00 52.34 C ATOM 586 NH1 ARG A 39 -1.477 11.753 -17.455 1.00 75.51 N ATOM 587 NH2 ARG A 39 -0.741 13.934 -17.728 1.00 33.34 N ATOM 0 H ARG A 39 -6.407 10.166 -16.957 1.00 21.32 H new ATOM 0 HA ARG A 39 -6.092 12.608 -18.551 1.00 40.54 H new ATOM 0 HB2 ARG A 39 -4.019 10.738 -17.329 1.00 45.20 H new ATOM 0 HB3 ARG A 39 -3.678 12.256 -18.136 1.00 45.20 H new ATOM 0 HG2 ARG A 39 -5.050 13.468 -16.419 1.00 61.43 H new ATOM 0 HG3 ARG A 39 -5.366 11.948 -15.607 1.00 61.43 H new ATOM 0 HD2 ARG A 39 -3.517 13.035 -14.453 1.00 55.24 H new ATOM 0 HD3 ARG A 39 -2.872 11.639 -15.294 1.00 55.24 H new ATOM 0 HE ARG A 39 -2.398 14.495 -15.968 1.00 34.42 H new ATOM 0 HH11 ARG A 39 -2.090 11.085 -16.988 1.00 75.51 H new ATOM 0 HH12 ARG A 39 -0.824 11.432 -18.170 1.00 75.51 H new ATOM 0 HH21 ARG A 39 -0.788 14.921 -17.476 1.00 33.34 H new ATOM 0 HH22 ARG A 39 -0.085 13.621 -18.444 1.00 33.34 H new ATOM 600 N LEU A 40 -5.861 9.572 -19.600 1.00 1.55 N ATOM 601 CA LEU A 40 -5.677 8.720 -20.762 1.00 33.02 C ATOM 602 C LEU A 40 -6.849 8.919 -21.725 1.00 73.00 C ATOM 603 O LEU A 40 -6.723 8.667 -22.922 1.00 73.53 O ATOM 604 CB LEU A 40 -5.474 7.265 -20.333 1.00 11.52 C ATOM 605 CG LEU A 40 -4.227 6.982 -19.493 1.00 12.05 C ATOM 606 CD1 LEU A 40 -4.383 5.682 -18.702 1.00 30.24 C ATOM 607 CD2 LEU A 40 -2.969 6.976 -20.363 1.00 51.02 C ATOM 0 H LEU A 40 -6.307 9.117 -18.804 1.00 1.55 H new ATOM 0 HA LEU A 40 -4.771 8.999 -21.299 1.00 33.02 H new ATOM 0 HB2 LEU A 40 -6.349 6.949 -19.766 1.00 11.52 H new ATOM 0 HB3 LEU A 40 -5.433 6.645 -21.229 1.00 11.52 H new ATOM 0 HG LEU A 40 -4.113 7.788 -18.769 1.00 12.05 H new ATOM 0 HD11 LEU A 40 -3.483 5.504 -18.113 1.00 30.24 H new ATOM 0 HD12 LEU A 40 -5.242 5.762 -18.036 1.00 30.24 H new ATOM 0 HD13 LEU A 40 -4.535 4.852 -19.392 1.00 30.24 H new ATOM 0 HD21 LEU A 40 -2.097 6.773 -19.741 1.00 51.02 H new ATOM 0 HD22 LEU A 40 -3.058 6.203 -21.126 1.00 51.02 H new ATOM 0 HD23 LEU A 40 -2.854 7.948 -20.842 1.00 51.02 H new ATOM 619 N ILE A 41 -7.963 9.370 -21.166 1.00 61.23 N ATOM 620 CA ILE A 41 -9.156 9.606 -21.961 1.00 35.42 C ATOM 621 C ILE A 41 -8.821 10.563 -23.106 1.00 2.33 C ATOM 622 O ILE A 41 -8.133 11.562 -22.903 1.00 4.45 O ATOM 623 CB ILE A 41 -10.305 10.088 -21.072 1.00 61.12 C ATOM 624 CG1 ILE A 41 -10.513 9.145 -19.886 1.00 33.34 C ATOM 625 CG2 ILE A 41 -11.586 10.276 -21.887 1.00 13.33 C ATOM 626 CD1 ILE A 41 -11.939 9.255 -19.341 1.00 60.04 C ATOM 0 H ILE A 41 -8.064 9.578 -20.173 1.00 61.23 H new ATOM 0 HA ILE A 41 -9.502 8.677 -22.414 1.00 35.42 H new ATOM 0 HB ILE A 41 -10.037 11.063 -20.664 1.00 61.12 H new ATOM 0 HG12 ILE A 41 -10.316 8.118 -20.194 1.00 33.34 H new ATOM 0 HG13 ILE A 41 -9.799 9.384 -19.098 1.00 33.34 H new ATOM 0 HG21 ILE A 41 -12.387 10.619 -21.232 1.00 13.33 H new ATOM 0 HG22 ILE A 41 -11.415 11.016 -22.669 1.00 13.33 H new ATOM 0 HG23 ILE A 41 -11.870 9.327 -22.342 1.00 13.33 H new ATOM 0 HD11 ILE A 41 -12.060 8.574 -18.498 1.00 60.04 H new ATOM 0 HD12 ILE A 41 -12.125 10.277 -19.011 1.00 60.04 H new ATOM 0 HD13 ILE A 41 -12.649 8.992 -20.125 1.00 60.04 H new ATOM 638 N SER A 42 -9.322 10.225 -24.284 1.00 75.33 N ATOM 639 CA SER A 42 -9.084 11.042 -25.462 1.00 14.12 C ATOM 640 C SER A 42 -7.745 10.666 -26.098 1.00 5.24 C ATOM 641 O SER A 42 -7.442 11.089 -27.212 1.00 41.13 O ATOM 642 CB SER A 42 -9.107 12.531 -25.112 1.00 42.31 C ATOM 643 OG SER A 42 -9.535 13.331 -26.211 1.00 11.41 O ATOM 0 H SER A 42 -9.892 9.396 -24.449 1.00 75.33 H new ATOM 0 HA SER A 42 -9.884 10.852 -26.178 1.00 14.12 H new ATOM 0 HB2 SER A 42 -9.772 12.694 -24.264 1.00 42.31 H new ATOM 0 HB3 SER A 42 -8.111 12.846 -24.801 1.00 42.31 H new ATOM 0 HG SER A 42 -9.538 14.275 -25.947 1.00 11.41 H new ATOM 649 N MET A 43 -6.978 9.876 -25.361 1.00 64.42 N ATOM 650 CA MET A 43 -5.677 9.438 -25.839 1.00 71.11 C ATOM 651 C MET A 43 -5.744 8.008 -26.379 1.00 72.12 C ATOM 652 O MET A 43 -6.319 7.126 -25.742 1.00 41.44 O ATOM 653 CB MET A 43 -4.664 9.505 -24.695 1.00 23.52 C ATOM 654 CG MET A 43 -4.898 10.742 -23.826 1.00 35.11 C ATOM 655 SD MET A 43 -3.335 11.473 -23.369 1.00 73.42 S ATOM 656 CE MET A 43 -2.477 10.024 -22.776 1.00 73.14 C ATOM 0 H MET A 43 -7.232 9.528 -24.437 1.00 64.42 H new ATOM 0 HA MET A 43 -5.367 10.098 -26.649 1.00 71.11 H new ATOM 0 HB2 MET A 43 -4.742 8.606 -24.083 1.00 23.52 H new ATOM 0 HB3 MET A 43 -3.653 9.528 -25.101 1.00 23.52 H new ATOM 0 HG2 MET A 43 -5.503 11.468 -24.368 1.00 35.11 H new ATOM 0 HG3 MET A 43 -5.456 10.467 -22.931 1.00 35.11 H new ATOM 0 HE1 MET A 43 -1.957 10.263 -21.849 1.00 73.14 H new ATOM 0 HE2 MET A 43 -3.196 9.225 -22.593 1.00 73.14 H new ATOM 0 HE3 MET A 43 -1.754 9.698 -23.524 1.00 73.14 H new ATOM 666 N GLN A 44 -5.149 7.822 -27.548 1.00 45.41 N ATOM 667 CA GLN A 44 -5.133 6.515 -28.181 1.00 74.41 C ATOM 668 C GLN A 44 -3.876 5.743 -27.775 1.00 72.21 C ATOM 669 O GLN A 44 -2.830 6.340 -27.528 1.00 2.12 O ATOM 670 CB GLN A 44 -5.232 6.641 -29.703 1.00 21.34 C ATOM 671 CG GLN A 44 -6.345 7.612 -30.101 1.00 44.24 C ATOM 672 CD GLN A 44 -6.240 7.988 -31.581 1.00 1.21 C ATOM 673 OE1 GLN A 44 -5.798 9.066 -31.944 1.00 61.33 O ATOM 674 NE2 GLN A 44 -6.670 7.042 -32.411 1.00 40.42 N ATOM 0 H GLN A 44 -4.674 8.556 -28.074 1.00 45.41 H new ATOM 0 HA GLN A 44 -6.004 5.957 -27.838 1.00 74.41 H new ATOM 0 HB2 GLN A 44 -4.280 6.988 -30.105 1.00 21.34 H new ATOM 0 HB3 GLN A 44 -5.425 5.662 -30.141 1.00 21.34 H new ATOM 0 HG2 GLN A 44 -7.316 7.158 -29.905 1.00 44.24 H new ATOM 0 HG3 GLN A 44 -6.285 8.511 -29.488 1.00 44.24 H new ATOM 0 HE21 GLN A 44 -7.028 6.162 -32.040 1.00 40.42 H new ATOM 0 HE22 GLN A 44 -6.642 7.196 -33.419 1.00 40.42 H new ATOM 683 N VAL A 45 -4.021 4.427 -27.719 1.00 44.00 N ATOM 684 CA VAL A 45 -2.910 3.567 -27.347 1.00 44.43 C ATOM 685 C VAL A 45 -2.010 3.349 -28.565 1.00 61.33 C ATOM 686 O VAL A 45 -2.466 3.444 -29.704 1.00 10.54 O ATOM 687 CB VAL A 45 -3.436 2.261 -26.751 1.00 20.45 C ATOM 688 CG1 VAL A 45 -4.162 2.515 -25.428 1.00 2.10 C ATOM 689 CG2 VAL A 45 -4.344 1.531 -27.743 1.00 2.21 C ATOM 0 H VAL A 45 -4.891 3.935 -27.925 1.00 44.00 H new ATOM 0 HA VAL A 45 -2.303 4.039 -26.575 1.00 44.43 H new ATOM 0 HB VAL A 45 -2.580 1.618 -26.546 1.00 20.45 H new ATOM 0 HG11 VAL A 45 -4.526 1.570 -25.025 1.00 2.10 H new ATOM 0 HG12 VAL A 45 -3.473 2.971 -24.717 1.00 2.10 H new ATOM 0 HG13 VAL A 45 -5.004 3.185 -25.598 1.00 2.10 H new ATOM 0 HG21 VAL A 45 -4.704 0.606 -27.294 1.00 2.21 H new ATOM 0 HG22 VAL A 45 -5.193 2.167 -27.995 1.00 2.21 H new ATOM 0 HG23 VAL A 45 -3.783 1.300 -28.648 1.00 2.21 H new ATOM 699 N ASN A 46 -0.748 3.059 -28.284 1.00 41.15 N ATOM 700 CA ASN A 46 0.220 2.826 -29.343 1.00 31.01 C ATOM 701 C ASN A 46 0.520 1.328 -29.433 1.00 1.42 C ATOM 702 O ASN A 46 1.636 0.934 -29.770 1.00 15.42 O ATOM 703 CB ASN A 46 1.534 3.555 -29.058 1.00 2.31 C ATOM 704 CG ASN A 46 2.220 2.984 -27.815 1.00 50.12 C ATOM 705 OD1 ASN A 46 2.349 1.783 -27.642 1.00 55.21 O ATOM 706 ND2 ASN A 46 2.652 3.909 -26.962 1.00 73.24 N ATOM 0 H ASN A 46 -0.373 2.980 -27.339 1.00 41.15 H new ATOM 0 HA ASN A 46 -0.204 3.198 -30.276 1.00 31.01 H new ATOM 0 HB2 ASN A 46 2.198 3.465 -29.918 1.00 2.31 H new ATOM 0 HB3 ASN A 46 1.341 4.618 -28.915 1.00 2.31 H new ATOM 0 HD21 ASN A 46 3.124 3.629 -26.102 1.00 73.24 H new ATOM 0 HD22 ASN A 46 2.512 4.898 -27.168 1.00 73.24 H new ATOM 713 N GLN A 47 -0.495 0.534 -29.125 1.00 50.45 N ATOM 714 CA GLN A 47 -0.354 -0.911 -29.167 1.00 62.24 C ATOM 715 C GLN A 47 -1.681 -1.585 -28.813 1.00 53.44 C ATOM 716 O GLN A 47 -2.524 -0.989 -28.144 1.00 74.42 O ATOM 717 CB GLN A 47 0.765 -1.380 -28.235 1.00 34.03 C ATOM 718 CG GLN A 47 0.633 -2.873 -27.928 1.00 32.13 C ATOM 719 CD GLN A 47 1.830 -3.374 -27.118 1.00 65.21 C ATOM 720 OE1 GLN A 47 2.445 -4.382 -27.429 1.00 12.44 O ATOM 721 NE2 GLN A 47 2.127 -2.617 -26.066 1.00 31.15 N ATOM 0 H GLN A 47 -1.419 0.864 -28.845 1.00 50.45 H new ATOM 0 HA GLN A 47 -0.082 -1.200 -30.182 1.00 62.24 H new ATOM 0 HB2 GLN A 47 1.733 -1.184 -28.696 1.00 34.03 H new ATOM 0 HB3 GLN A 47 0.733 -0.810 -27.307 1.00 34.03 H new ATOM 0 HG2 GLN A 47 -0.288 -3.054 -27.373 1.00 32.13 H new ATOM 0 HG3 GLN A 47 0.559 -3.434 -28.859 1.00 32.13 H new ATOM 0 HE21 GLN A 47 1.571 -1.786 -25.862 1.00 31.15 H new ATOM 0 HE22 GLN A 47 2.911 -2.867 -25.463 1.00 31.15 H new ATOM 730 N VAL A 48 -1.826 -2.817 -29.278 1.00 45.24 N ATOM 731 CA VAL A 48 -3.036 -3.578 -29.019 1.00 51.43 C ATOM 732 C VAL A 48 -3.035 -4.050 -27.564 1.00 64.21 C ATOM 733 O VAL A 48 -2.430 -5.071 -27.240 1.00 3.12 O ATOM 734 CB VAL A 48 -3.156 -4.728 -30.021 1.00 41.33 C ATOM 735 CG1 VAL A 48 -4.007 -5.865 -29.452 1.00 3.43 C ATOM 736 CG2 VAL A 48 -3.720 -4.236 -31.356 1.00 12.24 C ATOM 0 H VAL A 48 -1.125 -3.307 -29.833 1.00 45.24 H new ATOM 0 HA VAL A 48 -3.918 -2.952 -29.157 1.00 51.43 H new ATOM 0 HB VAL A 48 -2.155 -5.118 -30.204 1.00 41.33 H new ATOM 0 HG11 VAL A 48 -4.076 -6.669 -30.184 1.00 3.43 H new ATOM 0 HG12 VAL A 48 -3.546 -6.243 -28.540 1.00 3.43 H new ATOM 0 HG13 VAL A 48 -5.006 -5.493 -29.226 1.00 3.43 H new ATOM 0 HG21 VAL A 48 -3.795 -5.073 -32.050 1.00 12.24 H new ATOM 0 HG22 VAL A 48 -4.709 -3.807 -31.197 1.00 12.24 H new ATOM 0 HG23 VAL A 48 -3.058 -3.477 -31.773 1.00 12.24 H new ATOM 746 N VAL A 49 -3.719 -3.285 -26.726 1.00 63.13 N ATOM 747 CA VAL A 49 -3.804 -3.613 -25.313 1.00 41.32 C ATOM 748 C VAL A 49 -5.075 -4.425 -25.058 1.00 72.03 C ATOM 749 O VAL A 49 -6.184 -3.923 -25.237 1.00 5.51 O ATOM 750 CB VAL A 49 -3.733 -2.335 -24.475 1.00 3.05 C ATOM 751 CG1 VAL A 49 -3.966 -2.638 -22.993 1.00 43.11 C ATOM 752 CG2 VAL A 49 -2.399 -1.615 -24.684 1.00 23.50 C ATOM 0 H VAL A 49 -4.219 -2.439 -26.998 1.00 63.13 H new ATOM 0 HA VAL A 49 -2.958 -4.231 -25.012 1.00 41.32 H new ATOM 0 HB VAL A 49 -4.529 -1.670 -24.811 1.00 3.05 H new ATOM 0 HG11 VAL A 49 -3.910 -1.713 -22.419 1.00 43.11 H new ATOM 0 HG12 VAL A 49 -4.951 -3.086 -22.864 1.00 43.11 H new ATOM 0 HG13 VAL A 49 -3.203 -3.331 -22.639 1.00 43.11 H new ATOM 0 HG21 VAL A 49 -2.375 -0.710 -24.077 1.00 23.50 H new ATOM 0 HG22 VAL A 49 -1.581 -2.272 -24.389 1.00 23.50 H new ATOM 0 HG23 VAL A 49 -2.290 -1.349 -25.735 1.00 23.50 H new ATOM 762 N PRO A 50 -4.867 -5.700 -24.634 1.00 21.23 N ATOM 763 CA PRO A 50 -5.983 -6.587 -24.352 1.00 40.04 C ATOM 764 C PRO A 50 -6.655 -6.219 -23.028 1.00 74.12 C ATOM 765 O PRO A 50 -6.094 -5.470 -22.230 1.00 55.21 O ATOM 766 CB PRO A 50 -5.384 -7.984 -24.346 1.00 42.25 C ATOM 767 CG PRO A 50 -3.887 -7.794 -24.162 1.00 62.44 C ATOM 768 CD PRO A 50 -3.568 -6.329 -24.411 1.00 73.21 C ATOM 0 HA PRO A 50 -6.777 -6.512 -25.094 1.00 40.04 H new ATOM 0 HB2 PRO A 50 -5.804 -8.586 -23.540 1.00 42.25 H new ATOM 0 HB3 PRO A 50 -5.600 -8.506 -25.278 1.00 42.25 H new ATOM 0 HG2 PRO A 50 -3.586 -8.084 -23.155 1.00 62.44 H new ATOM 0 HG3 PRO A 50 -3.334 -8.428 -24.855 1.00 62.44 H new ATOM 0 HD2 PRO A 50 -3.054 -5.885 -23.558 1.00 73.21 H new ATOM 0 HD3 PRO A 50 -2.915 -6.207 -25.275 1.00 73.21 H new ATOM 776 N MET A 51 -7.848 -6.764 -22.836 1.00 2.55 N ATOM 777 CA MET A 51 -8.603 -6.502 -21.622 1.00 24.13 C ATOM 778 C MET A 51 -7.935 -7.155 -20.410 1.00 31.24 C ATOM 779 O MET A 51 -7.816 -8.378 -20.346 1.00 12.22 O ATOM 780 CB MET A 51 -10.024 -7.047 -21.777 1.00 0.50 C ATOM 781 CG MET A 51 -10.824 -6.868 -20.485 1.00 3.21 C ATOM 782 SD MET A 51 -12.224 -7.974 -20.476 1.00 34.11 S ATOM 783 CE MET A 51 -12.633 -7.971 -22.213 1.00 50.05 C ATOM 0 H MET A 51 -8.310 -7.385 -23.500 1.00 2.55 H new ATOM 0 HA MET A 51 -8.633 -5.424 -21.460 1.00 24.13 H new ATOM 0 HB2 MET A 51 -10.528 -6.532 -22.595 1.00 0.50 H new ATOM 0 HB3 MET A 51 -9.985 -8.104 -22.041 1.00 0.50 H new ATOM 0 HG2 MET A 51 -10.187 -7.067 -19.623 1.00 3.21 H new ATOM 0 HG3 MET A 51 -11.165 -5.836 -20.398 1.00 3.21 H new ATOM 0 HE1 MET A 51 -13.623 -8.405 -22.354 1.00 50.05 H new ATOM 0 HE2 MET A 51 -12.629 -6.947 -22.586 1.00 50.05 H new ATOM 0 HE3 MET A 51 -11.897 -8.559 -22.761 1.00 50.05 H new ATOM 793 N GLY A 52 -7.517 -6.311 -19.478 1.00 51.11 N ATOM 794 CA GLY A 52 -6.865 -6.791 -18.272 1.00 2.34 C ATOM 795 C GLY A 52 -5.375 -6.440 -18.277 1.00 55.00 C ATOM 796 O GLY A 52 -4.706 -6.542 -17.250 1.00 14.11 O ATOM 0 H GLY A 52 -7.617 -5.297 -19.534 1.00 51.11 H new ATOM 0 HA2 GLY A 52 -7.343 -6.351 -17.396 1.00 2.34 H new ATOM 0 HA3 GLY A 52 -6.988 -7.871 -18.193 1.00 2.34 H new ATOM 800 N THR A 53 -4.900 -6.034 -19.445 1.00 71.12 N ATOM 801 CA THR A 53 -3.502 -5.668 -19.598 1.00 13.21 C ATOM 802 C THR A 53 -3.236 -4.303 -18.960 1.00 0.11 C ATOM 803 O THR A 53 -3.802 -3.296 -19.381 1.00 54.42 O ATOM 804 CB THR A 53 -3.160 -5.719 -21.088 1.00 71.12 C ATOM 805 OG1 THR A 53 -2.872 -7.093 -21.331 1.00 70.31 O ATOM 806 CG2 THR A 53 -1.849 -5.000 -21.413 1.00 70.41 C ATOM 0 H THR A 53 -5.458 -5.950 -20.295 1.00 71.12 H new ATOM 0 HA THR A 53 -2.850 -6.369 -19.076 1.00 13.21 H new ATOM 0 HB THR A 53 -3.971 -5.271 -21.662 1.00 71.12 H new ATOM 0 HG1 THR A 53 -2.019 -7.169 -21.807 1.00 70.31 H new ATOM 0 HG21 THR A 53 -1.653 -5.066 -22.483 1.00 70.41 H new ATOM 0 HG22 THR A 53 -1.927 -3.952 -21.122 1.00 70.41 H new ATOM 0 HG23 THR A 53 -1.032 -5.469 -20.865 1.00 70.41 H new ATOM 814 N THR A 54 -2.374 -4.314 -17.954 1.00 44.31 N ATOM 815 CA THR A 54 -2.025 -3.089 -17.254 1.00 33.22 C ATOM 816 C THR A 54 -1.647 -1.993 -18.252 1.00 30.10 C ATOM 817 O THR A 54 -0.916 -2.245 -19.209 1.00 20.14 O ATOM 818 CB THR A 54 -0.911 -3.415 -16.258 1.00 4.12 C ATOM 819 OG1 THR A 54 -1.288 -4.678 -15.716 1.00 5.44 O ATOM 820 CG2 THR A 54 -0.911 -2.476 -15.050 1.00 55.40 C ATOM 0 H THR A 54 -1.907 -5.152 -17.607 1.00 44.31 H new ATOM 0 HA THR A 54 -2.875 -2.697 -16.696 1.00 33.22 H new ATOM 0 HB THR A 54 0.054 -3.357 -16.762 1.00 4.12 H new ATOM 0 HG1 THR A 54 -0.548 -5.040 -15.185 1.00 5.44 H new ATOM 0 HG21 THR A 54 -0.101 -2.752 -14.375 1.00 55.40 H new ATOM 0 HG22 THR A 54 -0.769 -1.449 -15.387 1.00 55.40 H new ATOM 0 HG23 THR A 54 -1.863 -2.557 -14.526 1.00 55.40 H new ATOM 828 N LEU A 55 -2.162 -0.800 -17.995 1.00 11.21 N ATOM 829 CA LEU A 55 -1.888 0.336 -18.859 1.00 24.30 C ATOM 830 C LEU A 55 -0.498 0.890 -18.540 1.00 25.42 C ATOM 831 O LEU A 55 -0.171 1.125 -17.377 1.00 62.54 O ATOM 832 CB LEU A 55 -3.004 1.376 -18.748 1.00 73.31 C ATOM 833 CG LEU A 55 -3.467 2.006 -20.063 1.00 72.43 C ATOM 834 CD1 LEU A 55 -2.346 1.987 -21.104 1.00 53.24 C ATOM 835 CD2 LEU A 55 -4.739 1.328 -20.578 1.00 42.11 C ATOM 0 H LEU A 55 -2.768 -0.595 -17.200 1.00 11.21 H new ATOM 0 HA LEU A 55 -1.876 0.025 -19.904 1.00 24.30 H new ATOM 0 HB2 LEU A 55 -3.864 0.907 -18.270 1.00 73.31 H new ATOM 0 HB3 LEU A 55 -2.666 2.173 -18.085 1.00 73.31 H new ATOM 0 HG LEU A 55 -3.713 3.051 -19.873 1.00 72.43 H new ATOM 0 HD11 LEU A 55 -2.701 2.441 -22.029 1.00 53.24 H new ATOM 0 HD12 LEU A 55 -1.491 2.550 -20.729 1.00 53.24 H new ATOM 0 HD13 LEU A 55 -2.046 0.957 -21.297 1.00 53.24 H new ATOM 0 HD21 LEU A 55 -5.047 1.795 -21.514 1.00 42.11 H new ATOM 0 HD22 LEU A 55 -4.544 0.269 -20.748 1.00 42.11 H new ATOM 0 HD23 LEU A 55 -5.534 1.437 -19.840 1.00 42.11 H new ATOM 847 N MET A 56 0.284 1.082 -19.592 1.00 53.14 N ATOM 848 CA MET A 56 1.631 1.604 -19.439 1.00 21.01 C ATOM 849 C MET A 56 1.734 3.027 -19.991 1.00 1.20 C ATOM 850 O MET A 56 0.936 3.428 -20.836 1.00 54.42 O ATOM 851 CB MET A 56 2.617 0.697 -20.178 1.00 2.02 C ATOM 852 CG MET A 56 2.897 -0.576 -19.377 1.00 32.32 C ATOM 853 SD MET A 56 4.219 -0.288 -18.213 1.00 43.53 S ATOM 854 CE MET A 56 3.325 -0.460 -16.678 1.00 53.13 C ATOM 0 H MET A 56 0.010 0.885 -20.555 1.00 53.14 H new ATOM 0 HA MET A 56 1.872 1.629 -18.376 1.00 21.01 H new ATOM 0 HB2 MET A 56 2.213 0.434 -21.155 1.00 2.02 H new ATOM 0 HB3 MET A 56 3.550 1.234 -20.353 1.00 2.02 H new ATOM 0 HG2 MET A 56 1.997 -0.887 -18.847 1.00 32.32 H new ATOM 0 HG3 MET A 56 3.167 -1.388 -20.052 1.00 32.32 H new ATOM 0 HE1 MET A 56 3.985 -0.222 -15.844 1.00 53.13 H new ATOM 0 HE2 MET A 56 2.475 0.222 -16.674 1.00 53.13 H new ATOM 0 HE3 MET A 56 2.968 -1.485 -16.578 1.00 53.13 H new ATOM 864 N PRO A 57 2.750 3.771 -19.477 1.00 64.23 N ATOM 865 CA PRO A 57 2.968 5.141 -19.910 1.00 22.32 C ATOM 866 C PRO A 57 3.596 5.182 -21.304 1.00 45.32 C ATOM 867 O PRO A 57 3.516 6.196 -21.996 1.00 14.45 O ATOM 868 CB PRO A 57 3.856 5.755 -18.840 1.00 30.33 C ATOM 869 CG PRO A 57 4.481 4.586 -18.096 1.00 22.23 C ATOM 870 CD PRO A 57 3.715 3.329 -18.475 1.00 25.21 C ATOM 0 HA PRO A 57 2.040 5.704 -20.009 1.00 22.32 H new ATOM 0 HB2 PRO A 57 4.622 6.389 -19.285 1.00 30.33 H new ATOM 0 HB3 PRO A 57 3.276 6.383 -18.164 1.00 30.33 H new ATOM 0 HG2 PRO A 57 5.534 4.485 -18.359 1.00 22.23 H new ATOM 0 HG3 PRO A 57 4.436 4.751 -17.019 1.00 22.23 H new ATOM 0 HD2 PRO A 57 4.381 2.565 -18.877 1.00 25.21 H new ATOM 0 HD3 PRO A 57 3.216 2.893 -17.609 1.00 25.21 H new ATOM 878 N ASP A 58 4.208 4.068 -21.676 1.00 64.50 N ATOM 879 CA ASP A 58 4.850 3.964 -22.976 1.00 20.34 C ATOM 880 C ASP A 58 3.928 3.210 -23.936 1.00 31.20 C ATOM 881 O ASP A 58 4.348 2.812 -25.021 1.00 60.43 O ATOM 882 CB ASP A 58 6.167 3.190 -22.880 1.00 14.44 C ATOM 883 CG ASP A 58 6.331 2.349 -21.612 1.00 64.25 C ATOM 884 OD1 ASP A 58 6.103 2.829 -20.492 1.00 44.54 O ATOM 885 OD2 ASP A 58 6.717 1.134 -21.811 1.00 74.23 O ATOM 0 H ASP A 58 4.273 3.229 -21.100 1.00 64.50 H new ATOM 0 HA ASP A 58 5.050 4.974 -23.335 1.00 20.34 H new ATOM 0 HB2 ASP A 58 6.250 2.534 -23.746 1.00 14.44 H new ATOM 0 HB3 ASP A 58 6.993 3.899 -22.937 1.00 14.44 H new ATOM 891 N MET A 59 2.688 3.036 -23.502 1.00 3.43 N ATOM 892 CA MET A 59 1.703 2.337 -24.309 1.00 42.44 C ATOM 893 C MET A 59 0.576 3.279 -24.736 1.00 15.41 C ATOM 894 O MET A 59 -0.417 2.842 -25.316 1.00 51.42 O ATOM 895 CB MET A 59 1.120 1.172 -23.508 1.00 14.22 C ATOM 896 CG MET A 59 1.961 -0.093 -23.688 1.00 73.23 C ATOM 897 SD MET A 59 0.953 -1.540 -23.414 1.00 32.52 S ATOM 898 CE MET A 59 0.034 -1.010 -21.978 1.00 73.44 C ATOM 0 H MET A 59 2.343 3.367 -22.601 1.00 3.43 H new ATOM 0 HA MET A 59 2.196 1.961 -25.206 1.00 42.44 H new ATOM 0 HB2 MET A 59 1.078 1.438 -22.452 1.00 14.22 H new ATOM 0 HB3 MET A 59 0.096 0.981 -23.830 1.00 14.22 H new ATOM 0 HG2 MET A 59 2.384 -0.119 -24.692 1.00 73.23 H new ATOM 0 HG3 MET A 59 2.798 -0.085 -22.990 1.00 73.23 H new ATOM 0 HE1 MET A 59 -0.734 -1.747 -21.745 1.00 73.44 H new ATOM 0 HE2 MET A 59 0.711 -0.911 -21.129 1.00 73.44 H new ATOM 0 HE3 MET A 59 -0.436 -0.048 -22.182 1.00 73.44 H new ATOM 908 N VAL A 60 0.766 4.555 -24.432 1.00 21.34 N ATOM 909 CA VAL A 60 -0.223 5.562 -24.776 1.00 43.22 C ATOM 910 C VAL A 60 0.458 6.697 -25.544 1.00 1.12 C ATOM 911 O VAL A 60 1.531 7.157 -25.157 1.00 23.14 O ATOM 912 CB VAL A 60 -0.943 6.042 -23.514 1.00 62.33 C ATOM 913 CG1 VAL A 60 -2.053 7.036 -23.861 1.00 20.21 C ATOM 914 CG2 VAL A 60 -1.495 4.859 -22.715 1.00 50.44 C ATOM 0 H VAL A 60 1.591 4.914 -23.951 1.00 21.34 H new ATOM 0 HA VAL A 60 -0.987 5.140 -25.429 1.00 43.22 H new ATOM 0 HB VAL A 60 -0.215 6.558 -22.888 1.00 62.33 H new ATOM 0 HG11 VAL A 60 -2.549 7.362 -22.947 1.00 20.21 H new ATOM 0 HG12 VAL A 60 -1.623 7.900 -24.368 1.00 20.21 H new ATOM 0 HG13 VAL A 60 -2.780 6.556 -24.516 1.00 20.21 H new ATOM 0 HG21 VAL A 60 -2.002 5.227 -21.823 1.00 50.44 H new ATOM 0 HG22 VAL A 60 -2.202 4.302 -23.330 1.00 50.44 H new ATOM 0 HG23 VAL A 60 -0.675 4.204 -22.422 1.00 50.44 H new ATOM 924 N LYS A 61 -0.194 7.116 -26.618 1.00 41.33 N ATOM 925 CA LYS A 61 0.335 8.189 -27.444 1.00 21.23 C ATOM 926 C LYS A 61 -0.003 9.535 -26.801 1.00 3.42 C ATOM 927 O LYS A 61 -0.995 9.653 -26.083 1.00 40.35 O ATOM 928 CB LYS A 61 -0.164 8.052 -28.884 1.00 4.43 C ATOM 929 CG LYS A 61 0.365 6.769 -29.528 1.00 34.13 C ATOM 930 CD LYS A 61 0.199 6.810 -31.048 1.00 72.11 C ATOM 931 CE LYS A 61 -0.945 5.899 -31.500 1.00 2.43 C ATOM 932 NZ LYS A 61 -1.999 6.688 -32.175 1.00 53.13 N ATOM 0 H LYS A 61 -1.084 6.732 -26.936 1.00 41.33 H new ATOM 0 HA LYS A 61 1.422 8.126 -27.501 1.00 21.23 H new ATOM 0 HB2 LYS A 61 -1.254 8.046 -28.896 1.00 4.43 H new ATOM 0 HB3 LYS A 61 0.157 8.915 -29.467 1.00 4.43 H new ATOM 0 HG2 LYS A 61 1.418 6.639 -29.277 1.00 34.13 H new ATOM 0 HG3 LYS A 61 -0.168 5.908 -29.123 1.00 34.13 H new ATOM 0 HD2 LYS A 61 0.002 7.833 -31.368 1.00 72.11 H new ATOM 0 HD3 LYS A 61 1.127 6.499 -31.527 1.00 72.11 H new ATOM 0 HE2 LYS A 61 -0.564 5.135 -32.178 1.00 2.43 H new ATOM 0 HE3 LYS A 61 -1.366 5.380 -30.639 1.00 2.43 H new ATOM 0 HZ1 LYS A 61 -2.930 6.415 -31.801 1.00 53.13 H new ATOM 0 HZ2 LYS A 61 -1.839 7.701 -32.001 1.00 53.13 H new ATOM 0 HZ3 LYS A 61 -1.970 6.503 -33.198 1.00 53.13 H new ATOM 945 N GLY A 62 0.842 10.517 -27.081 1.00 14.20 N ATOM 946 CA GLY A 62 0.645 11.851 -26.539 1.00 30.10 C ATOM 947 C GLY A 62 0.406 11.799 -25.029 1.00 1.34 C ATOM 948 O GLY A 62 -0.154 12.731 -24.453 1.00 3.12 O ATOM 0 H GLY A 62 1.664 10.415 -27.676 1.00 14.20 H new ATOM 0 HA2 GLY A 62 1.519 12.467 -26.752 1.00 30.10 H new ATOM 0 HA3 GLY A 62 -0.205 12.325 -27.029 1.00 30.10 H new ATOM 952 N TYR A 63 0.842 10.701 -24.430 1.00 23.21 N ATOM 953 CA TYR A 63 0.683 10.515 -22.998 1.00 10.44 C ATOM 954 C TYR A 63 1.810 11.206 -22.227 1.00 32.04 C ATOM 955 O TYR A 63 2.760 11.707 -22.825 1.00 62.14 O ATOM 956 CB TYR A 63 0.766 9.007 -22.756 1.00 34.01 C ATOM 957 CG TYR A 63 0.999 8.623 -21.293 1.00 43.04 C ATOM 958 CD1 TYR A 63 2.283 8.576 -20.789 1.00 1.52 C ATOM 959 CD2 TYR A 63 -0.074 8.323 -20.479 1.00 4.22 C ATOM 960 CE1 TYR A 63 2.503 8.215 -19.412 1.00 40.13 C ATOM 961 CE2 TYR A 63 0.146 7.962 -19.102 1.00 63.13 C ATOM 962 CZ TYR A 63 1.424 7.926 -18.637 1.00 72.30 C ATOM 963 OH TYR A 63 1.631 7.584 -17.337 1.00 45.40 O ATOM 0 H TYR A 63 1.306 9.930 -24.911 1.00 23.21 H new ATOM 0 HA TYR A 63 -0.261 10.941 -22.659 1.00 10.44 H new ATOM 0 HB2 TYR A 63 -0.158 8.543 -23.100 1.00 34.01 H new ATOM 0 HB3 TYR A 63 1.574 8.596 -23.362 1.00 34.01 H new ATOM 0 HD1 TYR A 63 3.123 8.810 -21.427 1.00 1.52 H new ATOM 0 HD2 TYR A 63 -1.078 8.359 -20.874 1.00 4.22 H new ATOM 0 HE1 TYR A 63 3.502 8.175 -19.004 1.00 40.13 H new ATOM 0 HE2 TYR A 63 -0.685 7.725 -18.454 1.00 63.13 H new ATOM 0 HH TYR A 63 0.910 7.951 -16.784 1.00 45.40 H new ATOM 973 N ALA A 64 1.666 11.210 -20.909 1.00 42.35 N ATOM 974 CA ALA A 64 2.660 11.831 -20.050 1.00 41.13 C ATOM 975 C ALA A 64 2.143 11.849 -18.610 1.00 65.23 C ATOM 976 O ALA A 64 0.936 11.899 -18.381 1.00 2.13 O ATOM 977 CB ALA A 64 2.982 13.233 -20.572 1.00 14.13 C ATOM 0 H ALA A 64 0.876 10.793 -20.416 1.00 42.35 H new ATOM 0 HA ALA A 64 3.588 11.259 -20.060 1.00 41.13 H new ATOM 0 HB1 ALA A 64 3.728 13.699 -19.928 1.00 14.13 H new ATOM 0 HB2 ALA A 64 3.373 13.162 -21.587 1.00 14.13 H new ATOM 0 HB3 ALA A 64 2.075 13.838 -20.574 1.00 14.13 H new ATOM 983 N PRO A 65 3.108 11.806 -17.653 1.00 25.51 N ATOM 984 CA PRO A 65 2.763 11.816 -16.242 1.00 5.14 C ATOM 985 C PRO A 65 2.332 13.214 -15.793 1.00 25.12 C ATOM 986 O PRO A 65 2.504 14.186 -16.527 1.00 22.11 O ATOM 987 CB PRO A 65 4.011 11.321 -15.528 1.00 0.41 C ATOM 988 CG PRO A 65 5.153 11.495 -16.516 1.00 71.11 C ATOM 989 CD PRO A 65 4.548 11.746 -17.888 1.00 22.52 C ATOM 0 HA PRO A 65 1.910 11.177 -16.013 1.00 5.14 H new ATOM 0 HB2 PRO A 65 4.192 11.892 -14.617 1.00 0.41 H new ATOM 0 HB3 PRO A 65 3.905 10.277 -15.234 1.00 0.41 H new ATOM 0 HG2 PRO A 65 5.789 12.329 -16.221 1.00 71.11 H new ATOM 0 HG3 PRO A 65 5.782 10.605 -16.533 1.00 71.11 H new ATOM 0 HD2 PRO A 65 4.918 12.676 -18.320 1.00 22.52 H new ATOM 0 HD3 PRO A 65 4.803 10.948 -18.585 1.00 22.52 H new