USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 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 -95:sc= -2.34 USER MOD Set 1.2: A 21 MET CE :methyl -164:sc= -5.38! (180deg=-7.29!) USER MOD Set 2.1: A 2 GLN : amide:sc= -5.05! C(o=-4.1!,f=-14!) USER MOD Set 2.2: A 4 SER OG : rot -75:sc= 0.918 USER MOD Single : A 14 ASN : amide:sc= -7.01! C(o=-7!,f=-4.8!) USER MOD Single : A 15 THR OG1 : rot 68:sc= -0.0618 USER MOD Single : A 22 MET CE :methyl -169:sc= -4.19! (180deg=-4.81) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 28 SER OG : rot 180:sc= -0.355 USER MOD Single : A 30 THR OG1 : rot 38:sc= 0.296 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -8.12! (180deg=-16!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7!) USER MOD Single : A 47 GLN : amide:sc= -1.98 K(o=-2,f=-0.7) USER MOD Single : A 51 MET CE :methyl -171:sc= -2.33! (180deg=-2.52!) USER MOD Single : A 53 THR OG1 : rot -117:sc= -1.55 USER MOD Single : A 54 THR OG1 : rot 169:sc= -2.32! USER MOD Single : A 56 MET CE :methyl -145:sc= -3.75! (180deg=-4.79!) USER MOD Single : A 59 MET CE :methyl 170:sc= -5.41! (180deg=-5.85!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 150:sc= -1.51 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.440 0.387 -4.574 1.00 12.53 N ATOM 33 CA GLN A 2 -1.779 1.446 -5.510 1.00 64.20 C ATOM 34 C GLN A 2 -2.500 0.866 -6.728 1.00 51.03 C ATOM 35 O GLN A 2 -2.066 -0.137 -7.292 1.00 63.12 O ATOM 36 CB GLN A 2 -0.531 2.225 -5.931 1.00 70.11 C ATOM 37 CG GLN A 2 0.196 1.518 -7.077 1.00 52.42 C ATOM 38 CD GLN A 2 -0.497 1.788 -8.415 1.00 4.24 C ATOM 39 OE1 GLN A 2 -0.851 0.884 -9.153 1.00 52.00 O ATOM 40 NE2 GLN A 2 -0.669 3.079 -8.684 1.00 4.20 N ATOM 0 HA GLN A 2 -2.452 2.144 -5.012 1.00 64.20 H new ATOM 0 HB2 GLN A 2 -0.813 3.231 -6.241 1.00 70.11 H new ATOM 0 HB3 GLN A 2 0.141 2.330 -5.079 1.00 70.11 H new ATOM 0 HG2 GLN A 2 1.230 1.861 -7.123 1.00 52.42 H new ATOM 0 HG3 GLN A 2 0.224 0.445 -6.888 1.00 52.42 H new ATOM 0 HE21 GLN A 2 -0.348 3.785 -8.021 1.00 4.20 H new ATOM 0 HE22 GLN A 2 -1.122 3.363 -9.553 1.00 4.20 H new ATOM 49 N GLU A 3 -3.590 1.522 -7.099 1.00 2.44 N ATOM 50 CA GLU A 3 -4.376 1.085 -8.240 1.00 23.43 C ATOM 51 C GLU A 3 -3.699 1.509 -9.545 1.00 24.44 C ATOM 52 O GLU A 3 -3.179 2.619 -9.646 1.00 72.12 O ATOM 53 CB GLU A 3 -5.804 1.627 -8.162 1.00 33.30 C ATOM 54 CG GLU A 3 -6.703 0.689 -7.354 1.00 35.20 C ATOM 55 CD GLU A 3 -8.048 1.350 -7.045 1.00 74.23 C ATOM 56 OE1 GLU A 3 -8.145 2.586 -7.039 1.00 43.01 O ATOM 57 OE2 GLU A 3 -9.016 0.531 -6.807 1.00 73.00 O ATOM 0 H GLU A 3 -3.947 2.354 -6.629 1.00 2.44 H new ATOM 0 HA GLU A 3 -4.434 -0.003 -8.221 1.00 23.43 H new ATOM 0 HB2 GLU A 3 -5.797 2.615 -7.702 1.00 33.30 H new ATOM 0 HB3 GLU A 3 -6.207 1.746 -9.168 1.00 33.30 H new ATOM 0 HG2 GLU A 3 -6.867 -0.233 -7.911 1.00 35.20 H new ATOM 0 HG3 GLU A 3 -6.206 0.415 -6.423 1.00 35.20 H new ATOM 65 N SER A 4 -3.726 0.602 -10.510 1.00 74.12 N ATOM 66 CA SER A 4 -3.122 0.868 -11.804 1.00 43.03 C ATOM 67 C SER A 4 -4.153 0.661 -12.916 1.00 5.40 C ATOM 68 O SER A 4 -4.994 -0.232 -12.829 1.00 42.22 O ATOM 69 CB SER A 4 -1.903 -0.027 -12.037 1.00 71.24 C ATOM 70 OG SER A 4 -1.505 -0.706 -10.850 1.00 24.43 O ATOM 0 H SER A 4 -4.157 -0.318 -10.422 1.00 74.12 H new ATOM 0 HA SER A 4 -2.786 1.905 -11.818 1.00 43.03 H new ATOM 0 HB2 SER A 4 -2.133 -0.757 -12.813 1.00 71.24 H new ATOM 0 HB3 SER A 4 -1.074 0.578 -12.404 1.00 71.24 H new ATOM 0 HG SER A 4 -1.050 -0.078 -10.251 1.00 24.43 H new ATOM 76 N VAL A 5 -4.053 1.502 -13.935 1.00 12.30 N ATOM 77 CA VAL A 5 -4.966 1.423 -15.062 1.00 55.24 C ATOM 78 C VAL A 5 -4.938 0.006 -15.638 1.00 24.10 C ATOM 79 O VAL A 5 -3.869 -0.583 -15.795 1.00 0.41 O ATOM 80 CB VAL A 5 -4.616 2.495 -16.096 1.00 10.50 C ATOM 81 CG1 VAL A 5 -5.413 2.294 -17.386 1.00 52.53 C ATOM 82 CG2 VAL A 5 -4.838 3.898 -15.527 1.00 43.42 C ATOM 0 H VAL A 5 -3.354 2.241 -14.003 1.00 12.30 H new ATOM 0 HA VAL A 5 -5.988 1.623 -14.739 1.00 55.24 H new ATOM 0 HB VAL A 5 -3.558 2.395 -16.338 1.00 10.50 H new ATOM 0 HG11 VAL A 5 -5.145 3.069 -18.104 1.00 52.53 H new ATOM 0 HG12 VAL A 5 -5.183 1.315 -17.807 1.00 52.53 H new ATOM 0 HG13 VAL A 5 -6.479 2.354 -17.168 1.00 52.53 H new ATOM 0 HG21 VAL A 5 -4.582 4.641 -16.282 1.00 43.42 H new ATOM 0 HG22 VAL A 5 -5.884 4.014 -15.243 1.00 43.42 H new ATOM 0 HG23 VAL A 5 -4.206 4.039 -14.650 1.00 43.42 H new ATOM 92 N VAL A 6 -6.125 -0.501 -15.937 1.00 24.31 N ATOM 93 CA VAL A 6 -6.249 -1.838 -16.492 1.00 21.52 C ATOM 94 C VAL A 6 -7.311 -1.832 -17.593 1.00 62.22 C ATOM 95 O VAL A 6 -8.435 -1.384 -17.374 1.00 32.42 O ATOM 96 CB VAL A 6 -6.550 -2.842 -15.377 1.00 10.24 C ATOM 97 CG1 VAL A 6 -6.829 -4.232 -15.951 1.00 25.32 C ATOM 98 CG2 VAL A 6 -5.410 -2.888 -14.358 1.00 3.54 C ATOM 0 H VAL A 6 -7.009 -0.010 -15.805 1.00 24.31 H new ATOM 0 HA VAL A 6 -5.310 -2.151 -16.948 1.00 21.52 H new ATOM 0 HB VAL A 6 -7.449 -2.507 -14.859 1.00 10.24 H new ATOM 0 HG11 VAL A 6 -7.040 -4.926 -15.137 1.00 25.32 H new ATOM 0 HG12 VAL A 6 -7.689 -4.184 -16.619 1.00 25.32 H new ATOM 0 HG13 VAL A 6 -5.957 -4.578 -16.506 1.00 25.32 H new ATOM 0 HG21 VAL A 6 -5.649 -3.609 -13.577 1.00 3.54 H new ATOM 0 HG22 VAL A 6 -4.488 -3.186 -14.857 1.00 3.54 H new ATOM 0 HG23 VAL A 6 -5.279 -1.901 -13.914 1.00 3.54 H new ATOM 108 N ALA A 7 -6.916 -2.334 -18.754 1.00 74.50 N ATOM 109 CA ALA A 7 -7.820 -2.392 -19.890 1.00 74.42 C ATOM 110 C ALA A 7 -9.108 -3.108 -19.476 1.00 63.22 C ATOM 111 O ALA A 7 -9.152 -4.337 -19.432 1.00 13.32 O ATOM 112 CB ALA A 7 -7.122 -3.082 -21.064 1.00 43.40 C ATOM 0 H ALA A 7 -5.982 -2.704 -18.932 1.00 74.50 H new ATOM 0 HA ALA A 7 -8.091 -1.388 -20.216 1.00 74.42 H new ATOM 0 HB1 ALA A 7 -7.800 -3.125 -21.916 1.00 43.40 H new ATOM 0 HB2 ALA A 7 -6.230 -2.519 -21.339 1.00 43.40 H new ATOM 0 HB3 ALA A 7 -6.838 -4.094 -20.775 1.00 43.40 H new ATOM 118 N ALA A 8 -10.123 -2.309 -19.184 1.00 33.33 N ATOM 119 CA ALA A 8 -11.408 -2.851 -18.775 1.00 31.21 C ATOM 120 C ALA A 8 -11.998 -3.674 -19.922 1.00 22.42 C ATOM 121 O ALA A 8 -12.951 -4.426 -19.725 1.00 30.42 O ATOM 122 CB ALA A 8 -12.330 -1.709 -18.343 1.00 1.00 C ATOM 0 H ALA A 8 -10.082 -1.291 -19.222 1.00 33.33 H new ATOM 0 HA ALA A 8 -11.289 -3.516 -17.919 1.00 31.21 H new ATOM 0 HB1 ALA A 8 -13.294 -2.116 -18.036 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -11.879 -1.174 -17.507 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -12.475 -1.023 -19.177 1.00 1.00 H new ATOM 128 N VAL A 9 -11.406 -3.504 -21.095 1.00 71.30 N ATOM 129 CA VAL A 9 -11.861 -4.222 -22.274 1.00 21.24 C ATOM 130 C VAL A 9 -10.717 -4.309 -23.286 1.00 22.13 C ATOM 131 O VAL A 9 -9.663 -3.705 -23.090 1.00 73.03 O ATOM 132 CB VAL A 9 -13.113 -3.553 -22.843 1.00 54.12 C ATOM 133 CG1 VAL A 9 -14.249 -3.551 -21.818 1.00 22.53 C ATOM 134 CG2 VAL A 9 -12.806 -2.133 -23.323 1.00 40.01 C ATOM 0 H VAL A 9 -10.615 -2.880 -21.254 1.00 71.30 H new ATOM 0 HA VAL A 9 -12.144 -5.242 -22.015 1.00 21.24 H new ATOM 0 HB VAL A 9 -13.441 -4.135 -23.704 1.00 54.12 H new ATOM 0 HG11 VAL A 9 -15.127 -3.069 -22.249 1.00 22.53 H new ATOM 0 HG12 VAL A 9 -14.495 -4.577 -21.546 1.00 22.53 H new ATOM 0 HG13 VAL A 9 -13.935 -3.005 -20.928 1.00 22.53 H new ATOM 0 HG21 VAL A 9 -13.713 -1.680 -23.723 1.00 40.01 H new ATOM 0 HG22 VAL A 9 -12.441 -1.537 -22.486 1.00 40.01 H new ATOM 0 HG23 VAL A 9 -12.045 -2.169 -24.102 1.00 40.01 H new ATOM 144 N LEU A 10 -10.963 -5.065 -24.345 1.00 63.43 N ATOM 145 CA LEU A 10 -9.966 -5.239 -25.388 1.00 71.24 C ATOM 146 C LEU A 10 -9.685 -3.888 -26.049 1.00 24.12 C ATOM 147 O LEU A 10 -10.492 -3.398 -26.836 1.00 54.41 O ATOM 148 CB LEU A 10 -10.405 -6.325 -26.373 1.00 25.43 C ATOM 149 CG LEU A 10 -9.615 -6.403 -27.681 1.00 55.33 C ATOM 150 CD1 LEU A 10 -8.421 -7.350 -27.546 1.00 54.33 C ATOM 151 CD2 LEU A 10 -10.526 -6.791 -28.848 1.00 43.23 C ATOM 0 H LEU A 10 -11.838 -5.564 -24.504 1.00 63.43 H new ATOM 0 HA LEU A 10 -9.026 -5.588 -24.962 1.00 71.24 H new ATOM 0 HB2 LEU A 10 -10.337 -7.291 -25.872 1.00 25.43 H new ATOM 0 HB3 LEU A 10 -11.456 -6.165 -26.615 1.00 25.43 H new ATOM 0 HG LEU A 10 -9.216 -5.412 -27.899 1.00 55.33 H new ATOM 0 HD11 LEU A 10 -7.877 -7.387 -28.490 1.00 54.33 H new ATOM 0 HD12 LEU A 10 -7.758 -6.990 -26.759 1.00 54.33 H new ATOM 0 HD13 LEU A 10 -8.776 -8.349 -27.293 1.00 54.33 H new ATOM 0 HD21 LEU A 10 -9.940 -6.840 -29.766 1.00 43.23 H new ATOM 0 HD22 LEU A 10 -10.974 -7.765 -28.651 1.00 43.23 H new ATOM 0 HD23 LEU A 10 -11.313 -6.045 -28.959 1.00 43.23 H new ATOM 163 N ILE A 11 -8.536 -3.325 -25.704 1.00 11.32 N ATOM 164 CA ILE A 11 -8.138 -2.040 -26.253 1.00 41.13 C ATOM 165 C ILE A 11 -7.141 -2.264 -27.392 1.00 61.11 C ATOM 166 O ILE A 11 -5.997 -2.649 -27.154 1.00 34.40 O ATOM 167 CB ILE A 11 -7.612 -1.124 -25.147 1.00 4.33 C ATOM 168 CG1 ILE A 11 -8.252 -1.467 -23.800 1.00 63.11 C ATOM 169 CG2 ILE A 11 -7.806 0.348 -25.515 1.00 50.51 C ATOM 170 CD1 ILE A 11 -8.128 -0.299 -22.820 1.00 43.52 C ATOM 0 H ILE A 11 -7.868 -3.735 -25.051 1.00 11.32 H new ATOM 0 HA ILE A 11 -8.999 -1.525 -26.679 1.00 41.13 H new ATOM 0 HB ILE A 11 -6.540 -1.292 -25.046 1.00 4.33 H new ATOM 0 HG12 ILE A 11 -9.304 -1.714 -23.946 1.00 63.11 H new ATOM 0 HG13 ILE A 11 -7.772 -2.351 -23.380 1.00 63.11 H new ATOM 0 HG21 ILE A 11 -7.423 0.977 -24.711 1.00 50.51 H new ATOM 0 HG22 ILE A 11 -7.266 0.567 -26.436 1.00 50.51 H new ATOM 0 HG23 ILE A 11 -8.867 0.550 -25.660 1.00 50.51 H new ATOM 0 HD11 ILE A 11 -8.591 -0.570 -21.871 1.00 43.52 H new ATOM 0 HD12 ILE A 11 -7.075 -0.070 -22.658 1.00 43.52 H new ATOM 0 HD13 ILE A 11 -8.630 0.576 -23.232 1.00 43.52 H new ATOM 182 N PRO A 12 -7.623 -2.007 -28.637 1.00 53.43 N ATOM 183 CA PRO A 12 -6.787 -2.176 -29.814 1.00 34.14 C ATOM 184 C PRO A 12 -5.772 -1.038 -29.934 1.00 13.33 C ATOM 185 O PRO A 12 -5.831 -0.067 -29.181 1.00 2.05 O ATOM 186 CB PRO A 12 -7.758 -2.232 -30.982 1.00 15.14 C ATOM 187 CG PRO A 12 -9.058 -1.629 -30.473 1.00 4.43 C ATOM 188 CD PRO A 12 -8.972 -1.549 -28.957 1.00 53.23 C ATOM 0 HA PRO A 12 -6.182 -3.082 -29.773 1.00 34.14 H new ATOM 0 HB2 PRO A 12 -7.375 -1.672 -31.835 1.00 15.14 H new ATOM 0 HB3 PRO A 12 -7.908 -3.259 -31.316 1.00 15.14 H new ATOM 0 HG2 PRO A 12 -9.212 -0.638 -30.900 1.00 4.43 H new ATOM 0 HG3 PRO A 12 -9.907 -2.242 -30.775 1.00 4.43 H new ATOM 0 HD2 PRO A 12 -9.139 -0.531 -28.604 1.00 53.23 H new ATOM 0 HD3 PRO A 12 -9.726 -2.178 -28.484 1.00 53.23 H new ATOM 196 N ILE A 13 -4.865 -1.194 -30.887 1.00 33.53 N ATOM 197 CA ILE A 13 -3.839 -0.192 -31.115 1.00 41.33 C ATOM 198 C ILE A 13 -4.490 1.087 -31.646 1.00 73.23 C ATOM 199 O ILE A 13 -5.568 1.039 -32.238 1.00 3.21 O ATOM 200 CB ILE A 13 -2.741 -0.746 -32.025 1.00 72.44 C ATOM 201 CG1 ILE A 13 -1.634 0.288 -32.242 1.00 74.53 C ATOM 202 CG2 ILE A 13 -3.326 -1.246 -33.348 1.00 71.00 C ATOM 203 CD1 ILE A 13 -0.394 -0.359 -32.861 1.00 65.31 C ATOM 0 H ILE A 13 -4.820 -2.000 -31.510 1.00 33.53 H new ATOM 0 HA ILE A 13 -3.345 0.066 -30.178 1.00 41.33 H new ATOM 0 HB ILE A 13 -2.287 -1.604 -31.529 1.00 72.44 H new ATOM 0 HG12 ILE A 13 -1.997 1.083 -32.893 1.00 74.53 H new ATOM 0 HG13 ILE A 13 -1.371 0.750 -31.290 1.00 74.53 H new ATOM 0 HG21 ILE A 13 -2.525 -1.635 -33.976 1.00 71.00 H new ATOM 0 HG22 ILE A 13 -4.048 -2.038 -33.150 1.00 71.00 H new ATOM 0 HG23 ILE A 13 -3.822 -0.422 -33.861 1.00 71.00 H new ATOM 0 HD11 ILE A 13 0.378 0.397 -33.005 1.00 65.31 H new ATOM 0 HD12 ILE A 13 -0.020 -1.138 -32.196 1.00 65.31 H new ATOM 0 HD13 ILE A 13 -0.655 -0.799 -33.824 1.00 65.31 H new ATOM 215 N ASN A 14 -3.809 2.200 -31.416 1.00 32.41 N ATOM 216 CA ASN A 14 -4.308 3.489 -31.864 1.00 32.23 C ATOM 217 C ASN A 14 -5.817 3.560 -31.618 1.00 4.32 C ATOM 218 O ASN A 14 -6.584 3.866 -32.529 1.00 41.22 O ATOM 219 CB ASN A 14 -4.063 3.684 -33.361 1.00 55.02 C ATOM 220 CG ASN A 14 -4.586 2.490 -34.162 1.00 61.15 C ATOM 221 OD1 ASN A 14 -5.779 2.279 -34.305 1.00 31.13 O ATOM 222 ND2 ASN A 14 -3.629 1.723 -34.676 1.00 64.13 N ATOM 0 H ASN A 14 -2.916 2.236 -30.925 1.00 32.41 H new ATOM 0 HA ASN A 14 -3.783 4.266 -31.309 1.00 32.23 H new ATOM 0 HB2 ASN A 14 -4.555 4.596 -33.698 1.00 55.02 H new ATOM 0 HB3 ASN A 14 -2.996 3.811 -33.545 1.00 55.02 H new ATOM 0 HD21 ASN A 14 -3.875 0.901 -35.228 1.00 64.13 H new ATOM 0 HD22 ASN A 14 -2.649 1.956 -34.518 1.00 64.13 H new ATOM 229 N THR A 15 -6.197 3.273 -30.382 1.00 4.15 N ATOM 230 CA THR A 15 -7.600 3.301 -30.004 1.00 64.03 C ATOM 231 C THR A 15 -7.830 4.315 -28.882 1.00 21.11 C ATOM 232 O THR A 15 -7.250 4.195 -27.804 1.00 0.32 O ATOM 233 CB THR A 15 -8.017 1.877 -29.632 1.00 15.10 C ATOM 234 OG1 THR A 15 -7.925 1.156 -30.858 1.00 4.33 O ATOM 235 CG2 THR A 15 -9.497 1.781 -29.254 1.00 70.24 C ATOM 0 H THR A 15 -5.558 3.020 -29.629 1.00 4.15 H new ATOM 0 HA THR A 15 -8.227 3.633 -30.832 1.00 64.03 H new ATOM 0 HB THR A 15 -7.406 1.525 -28.801 1.00 15.10 H new ATOM 0 HG1 THR A 15 -6.985 1.088 -31.128 1.00 4.33 H new ATOM 0 HG21 THR A 15 -9.741 0.750 -28.999 1.00 70.24 H new ATOM 0 HG22 THR A 15 -9.696 2.424 -28.397 1.00 70.24 H new ATOM 0 HG23 THR A 15 -10.109 2.101 -30.097 1.00 70.24 H new ATOM 243 N ALA A 16 -8.678 5.290 -29.174 1.00 3.21 N ATOM 244 CA ALA A 16 -8.992 6.324 -28.203 1.00 1.42 C ATOM 245 C ALA A 16 -9.423 5.670 -26.889 1.00 10.03 C ATOM 246 O ALA A 16 -10.280 4.788 -26.882 1.00 71.24 O ATOM 247 CB ALA A 16 -10.068 7.251 -28.773 1.00 63.22 C ATOM 0 H ALA A 16 -9.157 5.386 -30.069 1.00 3.21 H new ATOM 0 HA ALA A 16 -8.113 6.934 -27.995 1.00 1.42 H new ATOM 0 HB1 ALA A 16 -10.303 8.027 -28.044 1.00 63.22 H new ATOM 0 HB2 ALA A 16 -9.702 7.713 -29.690 1.00 63.22 H new ATOM 0 HB3 ALA A 16 -10.967 6.674 -28.992 1.00 63.22 H new ATOM 253 N LEU A 17 -8.809 6.128 -25.807 1.00 70.55 N ATOM 254 CA LEU A 17 -9.119 5.598 -24.490 1.00 64.44 C ATOM 255 C LEU A 17 -10.332 6.335 -23.921 1.00 11.20 C ATOM 256 O LEU A 17 -10.459 7.548 -24.084 1.00 62.21 O ATOM 257 CB LEU A 17 -7.885 5.654 -23.587 1.00 32.41 C ATOM 258 CG LEU A 17 -6.707 4.771 -24.005 1.00 11.24 C ATOM 259 CD1 LEU A 17 -5.453 5.112 -23.197 1.00 13.02 C ATOM 260 CD2 LEU A 17 -7.069 3.288 -23.902 1.00 54.30 C ATOM 0 H LEU A 17 -8.099 6.860 -25.816 1.00 70.55 H new ATOM 0 HA LEU A 17 -9.389 4.544 -24.557 1.00 64.44 H new ATOM 0 HB2 LEU A 17 -7.540 6.687 -23.540 1.00 32.41 H new ATOM 0 HB3 LEU A 17 -8.185 5.372 -22.578 1.00 32.41 H new ATOM 0 HG LEU A 17 -6.482 4.975 -25.052 1.00 11.24 H new ATOM 0 HD11 LEU A 17 -4.631 4.470 -23.513 1.00 13.02 H new ATOM 0 HD12 LEU A 17 -5.185 6.155 -23.365 1.00 13.02 H new ATOM 0 HD13 LEU A 17 -5.649 4.954 -22.137 1.00 13.02 H new ATOM 0 HD21 LEU A 17 -6.214 2.683 -24.205 1.00 54.30 H new ATOM 0 HD22 LEU A 17 -7.336 3.049 -22.873 1.00 54.30 H new ATOM 0 HD23 LEU A 17 -7.915 3.074 -24.555 1.00 54.30 H new ATOM 272 N THR A 18 -11.194 5.572 -23.264 1.00 43.34 N ATOM 273 CA THR A 18 -12.393 6.138 -22.670 1.00 3.31 C ATOM 274 C THR A 18 -12.496 5.740 -21.196 1.00 40.52 C ATOM 275 O THR A 18 -11.714 4.923 -20.714 1.00 70.50 O ATOM 276 CB THR A 18 -13.592 5.689 -23.506 1.00 74.12 C ATOM 277 OG1 THR A 18 -13.368 4.298 -23.716 1.00 22.51 O ATOM 278 CG2 THR A 18 -13.580 6.285 -24.915 1.00 72.13 C ATOM 0 H THR A 18 -11.086 4.567 -23.130 1.00 43.34 H new ATOM 0 HA THR A 18 -12.363 7.228 -22.679 1.00 3.31 H new ATOM 0 HB THR A 18 -14.514 5.974 -22.999 1.00 74.12 H new ATOM 0 HG1 THR A 18 -12.921 4.165 -24.578 1.00 22.51 H new ATOM 0 HG21 THR A 18 -14.453 5.934 -25.466 1.00 72.13 H new ATOM 0 HG22 THR A 18 -13.605 7.373 -24.850 1.00 72.13 H new ATOM 0 HG23 THR A 18 -12.674 5.973 -25.434 1.00 72.13 H new ATOM 286 N VAL A 19 -13.468 6.338 -20.522 1.00 25.31 N ATOM 287 CA VAL A 19 -13.683 6.056 -19.113 1.00 33.12 C ATOM 288 C VAL A 19 -14.414 4.719 -18.971 1.00 3.15 C ATOM 289 O VAL A 19 -14.480 4.157 -17.878 1.00 64.15 O ATOM 290 CB VAL A 19 -14.430 7.218 -18.455 1.00 51.21 C ATOM 291 CG1 VAL A 19 -15.944 7.034 -18.573 1.00 73.33 C ATOM 292 CG2 VAL A 19 -14.010 7.383 -16.993 1.00 60.52 C ATOM 0 H VAL A 19 -14.115 7.016 -20.925 1.00 25.31 H new ATOM 0 HA VAL A 19 -12.730 5.963 -18.592 1.00 33.12 H new ATOM 0 HB VAL A 19 -14.161 8.131 -18.986 1.00 51.21 H new ATOM 0 HG11 VAL A 19 -16.451 7.874 -18.097 1.00 73.33 H new ATOM 0 HG12 VAL A 19 -16.224 6.990 -19.625 1.00 73.33 H new ATOM 0 HG13 VAL A 19 -16.237 6.107 -18.080 1.00 73.33 H new ATOM 0 HG21 VAL A 19 -14.556 8.216 -16.549 1.00 60.52 H new ATOM 0 HG22 VAL A 19 -14.235 6.468 -16.444 1.00 60.52 H new ATOM 0 HG23 VAL A 19 -12.940 7.583 -16.942 1.00 60.52 H new ATOM 302 N GLY A 20 -14.944 4.249 -20.090 1.00 21.21 N ATOM 303 CA GLY A 20 -15.667 2.989 -20.104 1.00 30.53 C ATOM 304 C GLY A 20 -14.820 1.877 -20.727 1.00 2.15 C ATOM 305 O GLY A 20 -15.324 0.791 -21.007 1.00 62.40 O ATOM 0 H GLY A 20 -14.887 4.718 -20.994 1.00 21.21 H new ATOM 0 HA2 GLY A 20 -15.944 2.713 -19.086 1.00 30.53 H new ATOM 0 HA3 GLY A 20 -16.594 3.104 -20.666 1.00 30.53 H new ATOM 309 N MET A 21 -13.547 2.187 -20.925 1.00 11.44 N ATOM 310 CA MET A 21 -12.625 1.228 -21.509 1.00 51.30 C ATOM 311 C MET A 21 -11.532 0.841 -20.511 1.00 65.15 C ATOM 312 O MET A 21 -11.063 -0.296 -20.509 1.00 62.34 O ATOM 313 CB MET A 21 -11.984 1.833 -22.760 1.00 34.11 C ATOM 314 CG MET A 21 -12.730 1.397 -24.023 1.00 64.40 C ATOM 315 SD MET A 21 -11.566 1.079 -25.339 1.00 53.01 S ATOM 316 CE MET A 21 -10.419 2.420 -25.069 1.00 30.51 C ATOM 0 H MET A 21 -13.132 3.089 -20.691 1.00 11.44 H new ATOM 0 HA MET A 21 -13.183 0.330 -21.774 1.00 51.30 H new ATOM 0 HB2 MET A 21 -11.990 2.921 -22.687 1.00 34.11 H new ATOM 0 HB3 MET A 21 -10.941 1.524 -22.824 1.00 34.11 H new ATOM 0 HG2 MET A 21 -13.315 0.500 -23.819 1.00 64.40 H new ATOM 0 HG3 MET A 21 -13.432 2.173 -24.327 1.00 64.40 H new ATOM 0 HE1 MET A 21 -9.795 2.549 -25.953 1.00 30.51 H new ATOM 0 HE2 MET A 21 -10.973 3.340 -24.879 1.00 30.51 H new ATOM 0 HE3 MET A 21 -9.788 2.192 -24.210 1.00 30.51 H new ATOM 326 N MET A 22 -11.157 1.808 -19.688 1.00 1.55 N ATOM 327 CA MET A 22 -10.127 1.583 -18.687 1.00 73.03 C ATOM 328 C MET A 22 -10.747 1.276 -17.322 1.00 42.42 C ATOM 329 O MET A 22 -11.961 1.373 -17.152 1.00 31.31 O ATOM 330 CB MET A 22 -9.240 2.825 -18.578 1.00 74.14 C ATOM 331 CG MET A 22 -8.390 3.003 -19.838 1.00 1.33 C ATOM 332 SD MET A 22 -7.680 4.641 -19.868 1.00 24.52 S ATOM 333 CE MET A 22 -9.141 5.606 -20.212 1.00 41.13 C ATOM 0 H MET A 22 -11.548 2.750 -19.693 1.00 1.55 H new ATOM 0 HA MET A 22 -9.529 0.725 -18.995 1.00 73.03 H new ATOM 0 HB2 MET A 22 -9.861 3.708 -18.426 1.00 74.14 H new ATOM 0 HB3 MET A 22 -8.591 2.738 -17.706 1.00 74.14 H new ATOM 0 HG2 MET A 22 -7.598 2.254 -19.862 1.00 1.33 H new ATOM 0 HG3 MET A 22 -9.003 2.847 -20.726 1.00 1.33 H new ATOM 0 HE1 MET A 22 -8.853 6.628 -20.457 1.00 41.13 H new ATOM 0 HE2 MET A 22 -9.676 5.168 -21.054 1.00 41.13 H new ATOM 0 HE3 MET A 22 -9.788 5.612 -19.335 1.00 41.13 H new ATOM 343 N THR A 23 -9.884 0.913 -16.385 1.00 1.54 N ATOM 344 CA THR A 23 -10.331 0.592 -15.040 1.00 11.31 C ATOM 345 C THR A 23 -9.151 0.613 -14.066 1.00 70.44 C ATOM 346 O THR A 23 -7.997 0.694 -14.485 1.00 54.43 O ATOM 347 CB THR A 23 -11.053 -0.756 -15.091 1.00 53.52 C ATOM 348 OG1 THR A 23 -11.995 -0.686 -14.024 1.00 40.40 O ATOM 349 CG2 THR A 23 -10.142 -1.923 -14.708 1.00 61.20 C ATOM 0 H THR A 23 -8.878 0.834 -16.530 1.00 1.54 H new ATOM 0 HA THR A 23 -11.032 1.339 -14.668 1.00 11.31 H new ATOM 0 HB THR A 23 -11.448 -0.918 -16.094 1.00 53.52 H new ATOM 0 HG1 THR A 23 -12.508 -1.520 -13.986 1.00 40.40 H new ATOM 0 HG21 THR A 23 -10.704 -2.856 -14.761 1.00 61.20 H new ATOM 0 HG22 THR A 23 -9.299 -1.968 -15.397 1.00 61.20 H new ATOM 0 HG23 THR A 23 -9.773 -1.778 -13.693 1.00 61.20 H new ATOM 357 N THR A 24 -9.481 0.537 -12.785 1.00 63.24 N ATOM 358 CA THR A 24 -8.462 0.546 -11.749 1.00 34.51 C ATOM 359 C THR A 24 -8.388 -0.820 -11.063 1.00 60.00 C ATOM 360 O THR A 24 -9.416 -1.417 -10.747 1.00 50.10 O ATOM 361 CB THR A 24 -8.777 1.693 -10.787 1.00 33.55 C ATOM 362 OG1 THR A 24 -10.086 1.395 -10.308 1.00 52.03 O ATOM 363 CG2 THR A 24 -8.939 3.033 -11.506 1.00 73.02 C ATOM 0 H THR A 24 -10.439 0.469 -12.441 1.00 63.24 H new ATOM 0 HA THR A 24 -7.471 0.718 -12.169 1.00 34.51 H new ATOM 0 HB THR A 24 -7.982 1.773 -10.046 1.00 33.55 H new ATOM 0 HG1 THR A 24 -10.369 2.088 -9.676 1.00 52.03 H new ATOM 0 HG21 THR A 24 -9.161 3.812 -10.777 1.00 73.02 H new ATOM 0 HG22 THR A 24 -8.015 3.279 -12.030 1.00 73.02 H new ATOM 0 HG23 THR A 24 -9.756 2.964 -12.224 1.00 73.02 H new ATOM 371 N ARG A 25 -7.161 -1.275 -10.853 1.00 15.10 N ATOM 372 CA ARG A 25 -6.939 -2.559 -10.210 1.00 73.04 C ATOM 373 C ARG A 25 -5.481 -2.685 -9.766 1.00 64.25 C ATOM 374 O ARG A 25 -4.576 -2.217 -10.456 1.00 24.23 O ATOM 375 CB ARG A 25 -7.280 -3.714 -11.155 1.00 5.32 C ATOM 376 CG ARG A 25 -8.408 -4.574 -10.584 1.00 34.40 C ATOM 377 CD ARG A 25 -9.676 -4.448 -11.431 1.00 72.12 C ATOM 378 NE ARG A 25 -10.256 -5.787 -11.678 1.00 25.52 N ATOM 379 CZ ARG A 25 -11.560 -6.010 -11.945 1.00 30.44 C ATOM 380 NH1 ARG A 25 -12.433 -4.982 -12.002 1.00 32.35 N ATOM 381 NH2 ARG A 25 -11.969 -7.249 -12.149 1.00 0.31 N ATOM 0 H ARG A 25 -6.311 -0.777 -11.117 1.00 15.10 H new ATOM 0 HA ARG A 25 -7.593 -2.612 -9.339 1.00 73.04 H new ATOM 0 HB2 ARG A 25 -7.576 -3.318 -12.127 1.00 5.32 H new ATOM 0 HB3 ARG A 25 -6.395 -4.329 -11.317 1.00 5.32 H new ATOM 0 HG2 ARG A 25 -8.093 -5.617 -10.548 1.00 34.40 H new ATOM 0 HG3 ARG A 25 -8.619 -4.269 -9.559 1.00 34.40 H new ATOM 0 HD2 ARG A 25 -10.403 -3.817 -10.920 1.00 72.12 H new ATOM 0 HD3 ARG A 25 -9.443 -3.963 -12.379 1.00 72.12 H new ATOM 0 HE ARG A 25 -9.631 -6.592 -11.644 1.00 25.52 H new ATOM 0 HH11 ARG A 25 -12.109 -4.028 -11.843 1.00 32.35 H new ATOM 0 HH12 ARG A 25 -13.417 -5.159 -12.204 1.00 32.35 H new ATOM 0 HH21 ARG A 25 -11.303 -8.020 -12.104 1.00 0.31 H new ATOM 0 HH22 ARG A 25 -12.951 -7.435 -12.352 1.00 0.31 H new ATOM 394 N VAL A 26 -5.298 -3.320 -8.618 1.00 4.21 N ATOM 395 CA VAL A 26 -3.964 -3.513 -8.074 1.00 32.40 C ATOM 396 C VAL A 26 -3.276 -4.659 -8.819 1.00 23.15 C ATOM 397 O VAL A 26 -3.245 -5.789 -8.334 1.00 23.12 O ATOM 398 CB VAL A 26 -4.044 -3.744 -6.564 1.00 24.45 C ATOM 399 CG1 VAL A 26 -2.666 -3.600 -5.914 1.00 31.43 C ATOM 400 CG2 VAL A 26 -5.057 -2.798 -5.917 1.00 2.22 C ATOM 0 H VAL A 26 -6.051 -3.708 -8.049 1.00 4.21 H new ATOM 0 HA VAL A 26 -3.358 -2.619 -8.221 1.00 32.40 H new ATOM 0 HB VAL A 26 -4.387 -4.765 -6.399 1.00 24.45 H new ATOM 0 HG11 VAL A 26 -2.751 -3.769 -4.841 1.00 31.43 H new ATOM 0 HG12 VAL A 26 -1.983 -4.332 -6.344 1.00 31.43 H new ATOM 0 HG13 VAL A 26 -2.282 -2.596 -6.094 1.00 31.43 H new ATOM 0 HG21 VAL A 26 -5.094 -2.983 -4.844 1.00 2.22 H new ATOM 0 HG22 VAL A 26 -4.757 -1.766 -6.097 1.00 2.22 H new ATOM 0 HG23 VAL A 26 -6.043 -2.970 -6.349 1.00 2.22 H new ATOM 410 N VAL A 27 -2.741 -4.328 -9.984 1.00 43.44 N ATOM 411 CA VAL A 27 -2.055 -5.315 -10.801 1.00 4.33 C ATOM 412 C VAL A 27 -0.546 -5.068 -10.732 1.00 13.51 C ATOM 413 O VAL A 27 -0.108 -3.965 -10.408 1.00 55.54 O ATOM 414 CB VAL A 27 -2.601 -5.283 -12.229 1.00 70.35 C ATOM 415 CG1 VAL A 27 -4.130 -5.231 -12.231 1.00 31.14 C ATOM 416 CG2 VAL A 27 -2.012 -4.111 -13.016 1.00 43.22 C ATOM 0 H VAL A 27 -2.768 -3.389 -10.383 1.00 43.44 H new ATOM 0 HA VAL A 27 -2.238 -6.320 -10.420 1.00 4.33 H new ATOM 0 HB VAL A 27 -2.296 -6.205 -12.724 1.00 70.35 H new ATOM 0 HG11 VAL A 27 -4.492 -5.209 -13.259 1.00 31.14 H new ATOM 0 HG12 VAL A 27 -4.525 -6.113 -11.726 1.00 31.14 H new ATOM 0 HG13 VAL A 27 -4.464 -4.334 -11.709 1.00 31.14 H new ATOM 0 HG21 VAL A 27 -2.417 -4.112 -14.028 1.00 43.22 H new ATOM 0 HG22 VAL A 27 -2.271 -3.174 -12.522 1.00 43.22 H new ATOM 0 HG23 VAL A 27 -0.927 -4.210 -13.059 1.00 43.22 H new ATOM 426 N SER A 28 0.207 -6.113 -11.042 1.00 0.55 N ATOM 427 CA SER A 28 1.657 -6.023 -11.019 1.00 1.20 C ATOM 428 C SER A 28 2.232 -6.503 -12.353 1.00 70.20 C ATOM 429 O SER A 28 1.801 -7.524 -12.887 1.00 41.12 O ATOM 430 CB SER A 28 2.242 -6.839 -9.864 1.00 75.04 C ATOM 431 OG SER A 28 3.441 -6.261 -9.356 1.00 33.35 O ATOM 0 H SER A 28 -0.160 -7.026 -11.310 1.00 0.55 H new ATOM 0 HA SER A 28 1.932 -4.979 -10.866 1.00 1.20 H new ATOM 0 HB2 SER A 28 1.507 -6.912 -9.063 1.00 75.04 H new ATOM 0 HB3 SER A 28 2.445 -7.855 -10.204 1.00 75.04 H new ATOM 0 HG SER A 28 3.782 -6.810 -8.619 1.00 33.35 H new ATOM 437 N PRO A 29 3.222 -5.725 -12.866 1.00 10.50 N ATOM 438 CA PRO A 29 3.673 -4.532 -12.169 1.00 61.01 C ATOM 439 C PRO A 29 2.658 -3.396 -12.312 1.00 61.23 C ATOM 440 O PRO A 29 1.907 -3.349 -13.285 1.00 72.21 O ATOM 441 CB PRO A 29 5.023 -4.203 -12.785 1.00 62.43 C ATOM 442 CG PRO A 29 5.066 -4.942 -14.113 1.00 24.41 C ATOM 443 CD PRO A 29 3.935 -5.958 -14.118 1.00 44.32 C ATOM 0 HA PRO A 29 3.767 -4.684 -11.094 1.00 61.01 H new ATOM 0 HB2 PRO A 29 5.134 -3.129 -12.932 1.00 62.43 H new ATOM 0 HB3 PRO A 29 5.837 -4.521 -12.134 1.00 62.43 H new ATOM 0 HG2 PRO A 29 4.955 -4.243 -14.942 1.00 24.41 H new ATOM 0 HG3 PRO A 29 6.027 -5.440 -14.242 1.00 24.41 H new ATOM 0 HD2 PRO A 29 3.281 -5.818 -14.978 1.00 44.32 H new ATOM 0 HD3 PRO A 29 4.318 -6.977 -14.172 1.00 44.32 H new ATOM 451 N THR A 30 2.669 -2.509 -11.329 1.00 12.52 N ATOM 452 CA THR A 30 1.759 -1.376 -11.333 1.00 15.10 C ATOM 453 C THR A 30 2.109 -0.415 -12.470 1.00 52.54 C ATOM 454 O THR A 30 3.224 0.101 -12.531 1.00 60.34 O ATOM 455 CB THR A 30 1.808 -0.724 -9.950 1.00 23.24 C ATOM 456 OG1 THR A 30 3.201 -0.568 -9.690 1.00 15.54 O ATOM 457 CG2 THR A 30 1.326 -1.663 -8.842 1.00 72.42 C ATOM 0 H THR A 30 3.294 -2.551 -10.524 1.00 12.52 H new ATOM 0 HA THR A 30 0.734 -1.694 -11.522 1.00 15.10 H new ATOM 0 HB THR A 30 1.197 0.179 -9.952 1.00 23.24 H new ATOM 0 HG1 THR A 30 3.663 -0.321 -10.518 1.00 15.54 H new ATOM 0 HG21 THR A 30 1.381 -1.151 -7.881 1.00 72.42 H new ATOM 0 HG22 THR A 30 0.295 -1.957 -9.038 1.00 72.42 H new ATOM 0 HG23 THR A 30 1.958 -2.551 -8.817 1.00 72.42 H new ATOM 465 N GLY A 31 1.135 -0.202 -13.344 1.00 22.14 N ATOM 466 CA GLY A 31 1.327 0.688 -14.476 1.00 15.32 C ATOM 467 C GLY A 31 0.753 2.077 -14.185 1.00 24.25 C ATOM 468 O GLY A 31 0.723 2.511 -13.034 1.00 71.30 O ATOM 0 H GLY A 31 0.211 -0.631 -13.290 1.00 22.14 H new ATOM 0 HA2 GLY A 31 2.390 0.770 -14.703 1.00 15.32 H new ATOM 0 HA3 GLY A 31 0.844 0.269 -15.359 1.00 15.32 H new ATOM 472 N ILE A 32 0.313 2.735 -15.247 1.00 4.02 N ATOM 473 CA ILE A 32 -0.257 4.065 -15.120 1.00 10.44 C ATOM 474 C ILE A 32 -1.168 4.110 -13.891 1.00 22.30 C ATOM 475 O ILE A 32 -1.868 3.142 -13.598 1.00 22.25 O ATOM 476 CB ILE A 32 -0.955 4.475 -16.418 1.00 12.42 C ATOM 477 CG1 ILE A 32 0.041 4.545 -17.577 1.00 54.34 C ATOM 478 CG2 ILE A 32 -1.719 5.789 -16.238 1.00 72.23 C ATOM 479 CD1 ILE A 32 -0.666 4.343 -18.920 1.00 3.25 C ATOM 0 H ILE A 32 0.340 2.372 -16.200 1.00 4.02 H new ATOM 0 HA ILE A 32 0.530 4.803 -14.961 1.00 10.44 H new ATOM 0 HB ILE A 32 -1.688 3.708 -16.669 1.00 12.42 H new ATOM 0 HG12 ILE A 32 0.546 5.511 -17.569 1.00 54.34 H new ATOM 0 HG13 ILE A 32 0.809 3.782 -17.448 1.00 54.34 H new ATOM 0 HG21 ILE A 32 -2.206 6.058 -17.175 1.00 72.23 H new ATOM 0 HG22 ILE A 32 -2.472 5.668 -15.459 1.00 72.23 H new ATOM 0 HG23 ILE A 32 -1.024 6.578 -15.951 1.00 72.23 H new ATOM 0 HD11 ILE A 32 0.064 4.397 -19.727 1.00 3.25 H new ATOM 0 HD12 ILE A 32 -1.150 3.366 -18.933 1.00 3.25 H new ATOM 0 HD13 ILE A 32 -1.417 5.121 -19.057 1.00 3.25 H new ATOM 491 N PRO A 33 -1.128 5.273 -13.188 1.00 0.03 N ATOM 492 CA PRO A 33 -1.941 5.456 -11.998 1.00 10.25 C ATOM 493 C PRO A 33 -3.408 5.689 -12.366 1.00 23.21 C ATOM 494 O PRO A 33 -3.705 6.271 -13.408 1.00 10.44 O ATOM 495 CB PRO A 33 -1.316 6.637 -11.272 1.00 73.12 C ATOM 496 CG PRO A 33 -0.469 7.361 -12.306 1.00 73.43 C ATOM 497 CD PRO A 33 -0.311 6.440 -13.506 1.00 1.43 C ATOM 0 HA PRO A 33 -1.954 4.574 -11.358 1.00 10.25 H new ATOM 0 HB2 PRO A 33 -2.083 7.296 -10.865 1.00 73.12 H new ATOM 0 HB3 PRO A 33 -0.706 6.302 -10.433 1.00 73.12 H new ATOM 0 HG2 PRO A 33 -0.945 8.296 -12.602 1.00 73.43 H new ATOM 0 HG3 PRO A 33 0.505 7.617 -11.890 1.00 73.43 H new ATOM 0 HD2 PRO A 33 -0.650 6.923 -14.423 1.00 1.43 H new ATOM 0 HD3 PRO A 33 0.732 6.163 -13.658 1.00 1.43 H new ATOM 505 N ALA A 34 -4.286 5.221 -11.491 1.00 3.54 N ATOM 506 CA ALA A 34 -5.714 5.371 -11.711 1.00 12.44 C ATOM 507 C ALA A 34 -6.068 6.860 -11.736 1.00 75.41 C ATOM 508 O ALA A 34 -7.139 7.238 -12.208 1.00 52.44 O ATOM 509 CB ALA A 34 -6.480 4.608 -10.628 1.00 54.14 C ATOM 0 H ALA A 34 -4.036 4.738 -10.628 1.00 3.54 H new ATOM 0 HA ALA A 34 -6.001 4.947 -12.673 1.00 12.44 H new ATOM 0 HB1 ALA A 34 -7.552 4.720 -10.793 1.00 54.14 H new ATOM 0 HB2 ALA A 34 -6.215 3.552 -10.671 1.00 54.14 H new ATOM 0 HB3 ALA A 34 -6.220 5.008 -9.648 1.00 54.14 H new ATOM 515 N GLU A 35 -5.149 7.663 -11.222 1.00 62.11 N ATOM 516 CA GLU A 35 -5.351 9.101 -11.180 1.00 43.30 C ATOM 517 C GLU A 35 -5.116 9.711 -12.564 1.00 34.14 C ATOM 518 O GLU A 35 -5.295 10.913 -12.755 1.00 31.24 O ATOM 519 CB GLU A 35 -4.444 9.752 -10.134 1.00 21.25 C ATOM 520 CG GLU A 35 -3.031 9.956 -10.683 1.00 63.13 C ATOM 521 CD GLU A 35 -2.006 10.029 -9.549 1.00 54.21 C ATOM 522 OE1 GLU A 35 -0.834 10.353 -9.792 1.00 54.12 O ATOM 523 OE2 GLU A 35 -2.466 9.736 -8.380 1.00 2.32 O ATOM 0 H GLU A 35 -4.262 7.345 -10.831 1.00 62.11 H new ATOM 0 HA GLU A 35 -6.384 9.294 -10.889 1.00 43.30 H new ATOM 0 HB2 GLU A 35 -4.862 10.712 -9.832 1.00 21.25 H new ATOM 0 HB3 GLU A 35 -4.405 9.127 -9.242 1.00 21.25 H new ATOM 0 HG2 GLU A 35 -2.777 9.137 -11.355 1.00 63.13 H new ATOM 0 HG3 GLU A 35 -2.994 10.873 -11.270 1.00 63.13 H new ATOM 531 N ASP A 36 -4.720 8.854 -13.493 1.00 43.21 N ATOM 532 CA ASP A 36 -4.459 9.293 -14.853 1.00 51.45 C ATOM 533 C ASP A 36 -5.536 8.729 -15.782 1.00 53.41 C ATOM 534 O ASP A 36 -5.532 9.002 -16.981 1.00 50.45 O ATOM 535 CB ASP A 36 -3.101 8.789 -15.344 1.00 45.32 C ATOM 536 CG ASP A 36 -1.890 9.383 -14.620 1.00 75.02 C ATOM 537 OD1 ASP A 36 -2.026 10.015 -13.562 1.00 52.43 O ATOM 538 OD2 ASP A 36 -0.754 9.171 -15.193 1.00 54.45 O ATOM 0 H ASP A 36 -4.573 7.858 -13.331 1.00 43.21 H new ATOM 0 HA ASP A 36 -4.464 10.383 -14.862 1.00 51.45 H new ATOM 0 HB2 ASP A 36 -3.073 7.705 -15.238 1.00 45.32 H new ATOM 0 HB3 ASP A 36 -3.012 9.008 -16.408 1.00 45.32 H new ATOM 544 N ILE A 37 -6.433 7.953 -15.192 1.00 72.25 N ATOM 545 CA ILE A 37 -7.514 7.348 -15.952 1.00 73.10 C ATOM 546 C ILE A 37 -8.244 8.433 -16.746 1.00 45.51 C ATOM 547 O ILE A 37 -8.488 8.275 -17.941 1.00 45.32 O ATOM 548 CB ILE A 37 -8.430 6.540 -15.030 1.00 51.22 C ATOM 549 CG1 ILE A 37 -7.974 5.082 -14.944 1.00 4.41 C ATOM 550 CG2 ILE A 37 -9.891 6.658 -15.468 1.00 53.35 C ATOM 551 CD1 ILE A 37 -9.027 4.218 -14.247 1.00 44.41 C ATOM 0 H ILE A 37 -6.434 7.729 -14.197 1.00 72.25 H new ATOM 0 HA ILE A 37 -7.118 6.635 -16.675 1.00 73.10 H new ATOM 0 HB ILE A 37 -8.360 6.959 -14.026 1.00 51.22 H new ATOM 0 HG12 ILE A 37 -7.787 4.696 -15.946 1.00 4.41 H new ATOM 0 HG13 ILE A 37 -7.032 5.024 -14.399 1.00 4.41 H new ATOM 0 HG21 ILE A 37 -10.521 6.075 -14.796 1.00 53.35 H new ATOM 0 HG22 ILE A 37 -10.197 7.704 -15.436 1.00 53.35 H new ATOM 0 HG23 ILE A 37 -9.998 6.280 -16.485 1.00 53.35 H new ATOM 0 HD11 ILE A 37 -8.678 3.187 -14.199 1.00 44.41 H new ATOM 0 HD12 ILE A 37 -9.194 4.592 -13.237 1.00 44.41 H new ATOM 0 HD13 ILE A 37 -9.961 4.259 -14.808 1.00 44.41 H new ATOM 563 N PRO A 38 -8.580 9.540 -16.031 1.00 42.52 N ATOM 564 CA PRO A 38 -9.276 10.652 -16.656 1.00 52.03 C ATOM 565 C PRO A 38 -8.328 11.467 -17.538 1.00 40.11 C ATOM 566 O PRO A 38 -8.758 12.383 -18.237 1.00 11.42 O ATOM 567 CB PRO A 38 -9.851 11.455 -15.501 1.00 53.53 C ATOM 568 CG PRO A 38 -9.070 11.031 -14.268 1.00 73.53 C ATOM 569 CD PRO A 38 -8.307 9.763 -14.614 1.00 61.42 C ATOM 0 HA PRO A 38 -10.068 10.327 -17.331 1.00 52.03 H new ATOM 0 HB2 PRO A 38 -9.747 12.525 -15.680 1.00 53.53 H new ATOM 0 HB3 PRO A 38 -10.915 11.254 -15.377 1.00 53.53 H new ATOM 0 HG2 PRO A 38 -8.382 11.819 -13.962 1.00 73.53 H new ATOM 0 HG3 PRO A 38 -9.745 10.854 -13.431 1.00 73.53 H new ATOM 0 HD2 PRO A 38 -7.239 9.881 -14.430 1.00 61.42 H new ATOM 0 HD3 PRO A 38 -8.643 8.921 -14.009 1.00 61.42 H new ATOM 577 N ARG A 39 -7.055 11.104 -17.477 1.00 33.22 N ATOM 578 CA ARG A 39 -6.043 11.790 -18.261 1.00 63.22 C ATOM 579 C ARG A 39 -5.750 11.013 -19.546 1.00 61.42 C ATOM 580 O ARG A 39 -5.323 11.593 -20.543 1.00 61.12 O ATOM 581 CB ARG A 39 -4.746 11.953 -17.465 1.00 72.33 C ATOM 582 CG ARG A 39 -4.845 13.128 -16.491 1.00 33.15 C ATOM 583 CD ARG A 39 -3.698 13.100 -15.479 1.00 64.41 C ATOM 584 NE ARG A 39 -2.505 13.766 -16.048 1.00 61.12 N ATOM 585 CZ ARG A 39 -1.614 13.159 -16.861 1.00 74.31 C ATOM 586 NH1 ARG A 39 -1.775 11.864 -17.208 1.00 20.23 N ATOM 587 NH2 ARG A 39 -0.584 13.850 -17.312 1.00 32.01 N ATOM 0 H ARG A 39 -6.702 10.343 -16.896 1.00 33.22 H new ATOM 0 HA ARG A 39 -6.430 12.778 -18.510 1.00 63.22 H new ATOM 0 HB2 ARG A 39 -4.535 11.036 -16.914 1.00 72.33 H new ATOM 0 HB3 ARG A 39 -3.913 12.112 -18.149 1.00 72.33 H new ATOM 0 HG2 ARG A 39 -4.823 14.067 -17.045 1.00 33.15 H new ATOM 0 HG3 ARG A 39 -5.799 13.090 -15.966 1.00 33.15 H new ATOM 0 HD2 ARG A 39 -4.001 13.601 -14.560 1.00 64.41 H new ATOM 0 HD3 ARG A 39 -3.459 12.070 -15.216 1.00 64.41 H new ATOM 0 HE ARG A 39 -2.346 14.745 -15.811 1.00 61.12 H new ATOM 0 HH11 ARG A 39 -2.574 11.337 -16.856 1.00 20.23 H new ATOM 0 HH12 ARG A 39 -1.098 11.413 -17.823 1.00 20.23 H new ATOM 0 HH21 ARG A 39 -0.470 14.828 -17.046 1.00 32.01 H new ATOM 0 HH22 ARG A 39 0.098 13.406 -17.927 1.00 32.01 H new ATOM 600 N LEU A 40 -5.991 9.712 -19.481 1.00 72.50 N ATOM 601 CA LEU A 40 -5.759 8.849 -20.627 1.00 23.10 C ATOM 602 C LEU A 40 -6.904 9.018 -21.628 1.00 23.14 C ATOM 603 O LEU A 40 -6.729 8.783 -22.822 1.00 64.32 O ATOM 604 CB LEU A 40 -5.546 7.403 -20.175 1.00 24.14 C ATOM 605 CG LEU A 40 -4.362 7.161 -19.236 1.00 1.32 C ATOM 606 CD1 LEU A 40 -4.513 5.832 -18.494 1.00 62.22 C ATOM 607 CD2 LEU A 40 -3.035 7.248 -19.993 1.00 11.02 C ATOM 0 H LEU A 40 -6.345 9.234 -18.652 1.00 72.50 H new ATOM 0 HA LEU A 40 -4.841 9.137 -21.140 1.00 23.10 H new ATOM 0 HB2 LEU A 40 -6.454 7.061 -19.678 1.00 24.14 H new ATOM 0 HB3 LEU A 40 -5.414 6.782 -21.061 1.00 24.14 H new ATOM 0 HG LEU A 40 -4.356 7.950 -18.484 1.00 1.32 H new ATOM 0 HD11 LEU A 40 -3.658 5.685 -17.834 1.00 62.22 H new ATOM 0 HD12 LEU A 40 -5.429 5.847 -17.904 1.00 62.22 H new ATOM 0 HD13 LEU A 40 -4.559 5.016 -19.215 1.00 62.22 H new ATOM 0 HD21 LEU A 40 -2.210 7.072 -19.303 1.00 11.02 H new ATOM 0 HD22 LEU A 40 -3.016 6.495 -20.781 1.00 11.02 H new ATOM 0 HD23 LEU A 40 -2.933 8.239 -20.436 1.00 11.02 H new ATOM 619 N ILE A 41 -8.050 9.424 -21.103 1.00 14.30 N ATOM 620 CA ILE A 41 -9.224 9.627 -21.935 1.00 41.54 C ATOM 621 C ILE A 41 -8.869 10.568 -23.089 1.00 31.12 C ATOM 622 O ILE A 41 -8.197 11.578 -22.887 1.00 13.35 O ATOM 623 CB ILE A 41 -10.404 10.110 -21.089 1.00 61.03 C ATOM 624 CG1 ILE A 41 -10.649 9.173 -19.905 1.00 23.12 C ATOM 625 CG2 ILE A 41 -11.658 10.288 -21.948 1.00 3.00 C ATOM 626 CD1 ILE A 41 -12.094 9.277 -19.413 1.00 3.12 C ATOM 0 H ILE A 41 -8.191 9.618 -20.112 1.00 14.30 H new ATOM 0 HA ILE A 41 -9.544 8.684 -22.378 1.00 41.54 H new ATOM 0 HB ILE A 41 -10.153 11.088 -20.679 1.00 61.03 H new ATOM 0 HG12 ILE A 41 -10.434 8.146 -20.199 1.00 23.12 H new ATOM 0 HG13 ILE A 41 -9.966 9.421 -19.093 1.00 23.12 H new ATOM 0 HG21 ILE A 41 -12.482 10.632 -21.322 1.00 3.00 H new ATOM 0 HG22 ILE A 41 -11.463 11.024 -22.728 1.00 3.00 H new ATOM 0 HG23 ILE A 41 -11.923 9.335 -22.406 1.00 3.00 H new ATOM 0 HD11 ILE A 41 -12.241 8.601 -18.571 1.00 3.12 H new ATOM 0 HD12 ILE A 41 -12.298 10.300 -19.097 1.00 3.12 H new ATOM 0 HD13 ILE A 41 -12.774 9.005 -20.220 1.00 3.12 H new ATOM 638 N SER A 42 -9.336 10.202 -24.273 1.00 52.15 N ATOM 639 CA SER A 42 -9.077 11.001 -25.459 1.00 65.54 C ATOM 640 C SER A 42 -7.718 10.626 -26.056 1.00 32.44 C ATOM 641 O SER A 42 -7.393 11.030 -27.171 1.00 23.13 O ATOM 642 CB SER A 42 -9.120 12.496 -25.137 1.00 73.53 C ATOM 643 OG SER A 42 -9.520 13.273 -26.263 1.00 20.30 O ATOM 0 H SER A 42 -9.892 9.363 -24.437 1.00 52.15 H new ATOM 0 HA SER A 42 -9.859 10.792 -26.189 1.00 65.54 H new ATOM 0 HB2 SER A 42 -9.812 12.670 -24.313 1.00 73.53 H new ATOM 0 HB3 SER A 42 -8.136 12.823 -24.802 1.00 73.53 H new ATOM 0 HG SER A 42 -9.537 14.221 -26.017 1.00 20.30 H new ATOM 649 N MET A 43 -6.962 9.857 -25.286 1.00 20.12 N ATOM 650 CA MET A 43 -5.646 9.423 -25.724 1.00 32.22 C ATOM 651 C MET A 43 -5.692 7.991 -26.261 1.00 40.04 C ATOM 652 O MET A 43 -6.223 7.095 -25.607 1.00 52.10 O ATOM 653 CB MET A 43 -4.667 9.497 -24.550 1.00 73.44 C ATOM 654 CG MET A 43 -4.852 10.795 -23.763 1.00 14.41 C ATOM 655 SD MET A 43 -3.283 11.343 -23.112 1.00 14.42 S ATOM 656 CE MET A 43 -2.513 9.766 -22.791 1.00 63.42 C ATOM 0 H MET A 43 -7.236 9.523 -24.362 1.00 20.12 H new ATOM 0 HA MET A 43 -5.315 10.082 -26.527 1.00 32.22 H new ATOM 0 HB2 MET A 43 -4.819 8.643 -23.890 1.00 73.44 H new ATOM 0 HB3 MET A 43 -3.644 9.435 -24.921 1.00 73.44 H new ATOM 0 HG2 MET A 43 -5.276 11.564 -24.409 1.00 14.41 H new ATOM 0 HG3 MET A 43 -5.559 10.638 -22.948 1.00 14.41 H new ATOM 0 HE1 MET A 43 -1.867 9.848 -21.917 1.00 63.42 H new ATOM 0 HE2 MET A 43 -3.282 9.017 -22.605 1.00 63.42 H new ATOM 0 HE3 MET A 43 -1.918 9.469 -23.655 1.00 63.42 H new ATOM 666 N GLN A 44 -5.128 7.820 -27.448 1.00 51.21 N ATOM 667 CA GLN A 44 -5.098 6.513 -28.081 1.00 62.40 C ATOM 668 C GLN A 44 -3.871 5.726 -27.616 1.00 23.01 C ATOM 669 O GLN A 44 -2.881 6.313 -27.180 1.00 73.22 O ATOM 670 CB GLN A 44 -5.121 6.641 -29.605 1.00 74.34 C ATOM 671 CG GLN A 44 -6.272 7.540 -30.062 1.00 60.23 C ATOM 672 CD GLN A 44 -6.188 7.817 -31.565 1.00 22.03 C ATOM 673 OE1 GLN A 44 -5.605 8.791 -32.011 1.00 3.53 O ATOM 674 NE2 GLN A 44 -6.801 6.908 -32.318 1.00 1.13 N ATOM 0 H GLN A 44 -4.688 8.565 -27.988 1.00 51.21 H new ATOM 0 HA GLN A 44 -5.992 5.966 -27.782 1.00 62.40 H new ATOM 0 HB2 GLN A 44 -4.173 7.052 -29.953 1.00 74.34 H new ATOM 0 HB3 GLN A 44 -5.225 5.654 -30.055 1.00 74.34 H new ATOM 0 HG2 GLN A 44 -7.225 7.064 -29.829 1.00 60.23 H new ATOM 0 HG3 GLN A 44 -6.243 8.481 -29.513 1.00 60.23 H new ATOM 0 HE21 GLN A 44 -7.271 6.116 -31.880 1.00 1.13 H new ATOM 0 HE22 GLN A 44 -6.801 7.003 -33.334 1.00 1.13 H new ATOM 683 N VAL A 45 -3.975 4.410 -27.724 1.00 72.42 N ATOM 684 CA VAL A 45 -2.886 3.537 -27.320 1.00 73.41 C ATOM 685 C VAL A 45 -1.958 3.300 -28.513 1.00 53.24 C ATOM 686 O VAL A 45 -2.387 3.381 -29.663 1.00 73.44 O ATOM 687 CB VAL A 45 -3.446 2.240 -26.732 1.00 21.21 C ATOM 688 CG1 VAL A 45 -4.049 2.482 -25.347 1.00 20.43 C ATOM 689 CG2 VAL A 45 -4.473 1.608 -27.674 1.00 45.54 C ATOM 0 H VAL A 45 -4.797 3.927 -28.086 1.00 72.42 H new ATOM 0 HA VAL A 45 -2.293 4.005 -26.535 1.00 73.41 H new ATOM 0 HB VAL A 45 -2.619 1.539 -26.620 1.00 21.21 H new ATOM 0 HG11 VAL A 45 -4.440 1.545 -24.951 1.00 20.43 H new ATOM 0 HG12 VAL A 45 -3.279 2.866 -24.677 1.00 20.43 H new ATOM 0 HG13 VAL A 45 -4.858 3.208 -25.424 1.00 20.43 H new ATOM 0 HG21 VAL A 45 -4.855 0.688 -27.232 1.00 45.54 H new ATOM 0 HG22 VAL A 45 -5.297 2.303 -27.833 1.00 45.54 H new ATOM 0 HG23 VAL A 45 -4.000 1.382 -28.629 1.00 45.54 H new ATOM 699 N ASN A 46 -0.704 3.013 -28.199 1.00 3.22 N ATOM 700 CA ASN A 46 0.289 2.764 -29.231 1.00 15.52 C ATOM 701 C ASN A 46 0.594 1.266 -29.288 1.00 1.40 C ATOM 702 O ASN A 46 1.718 0.870 -29.593 1.00 32.32 O ATOM 703 CB ASN A 46 1.594 3.502 -28.929 1.00 3.25 C ATOM 704 CG ASN A 46 2.237 2.975 -27.644 1.00 1.21 C ATOM 705 OD1 ASN A 46 2.310 1.782 -27.400 1.00 2.12 O ATOM 706 ND2 ASN A 46 2.697 3.929 -26.839 1.00 24.41 N ATOM 0 H ASN A 46 -0.352 2.947 -27.244 1.00 3.22 H new ATOM 0 HA ASN A 46 -0.114 3.119 -30.180 1.00 15.52 H new ATOM 0 HB2 ASN A 46 2.286 3.381 -29.762 1.00 3.25 H new ATOM 0 HB3 ASN A 46 1.398 4.570 -28.830 1.00 3.25 H new ATOM 0 HD21 ASN A 46 3.143 3.680 -25.956 1.00 24.41 H new ATOM 0 HD22 ASN A 46 2.603 4.909 -27.105 1.00 24.41 H new ATOM 713 N GLN A 47 -0.426 0.475 -28.990 1.00 1.11 N ATOM 714 CA GLN A 47 -0.280 -0.971 -29.004 1.00 15.44 C ATOM 715 C GLN A 47 -1.611 -1.641 -28.658 1.00 35.22 C ATOM 716 O GLN A 47 -2.466 -1.036 -28.012 1.00 72.34 O ATOM 717 CB GLN A 47 0.825 -1.419 -28.046 1.00 32.53 C ATOM 718 CG GLN A 47 0.690 -2.906 -27.711 1.00 32.31 C ATOM 719 CD GLN A 47 1.880 -3.392 -26.881 1.00 42.22 C ATOM 720 OE1 GLN A 47 2.490 -4.411 -27.161 1.00 4.43 O ATOM 721 NE2 GLN A 47 2.175 -2.608 -25.848 1.00 41.10 N ATOM 0 H GLN A 47 -1.357 0.808 -28.737 1.00 1.11 H new ATOM 0 HA GLN A 47 0.009 -1.279 -30.009 1.00 15.44 H new ATOM 0 HB2 GLN A 47 1.800 -1.231 -28.496 1.00 32.53 H new ATOM 0 HB3 GLN A 47 0.778 -0.830 -27.130 1.00 32.53 H new ATOM 0 HG2 GLN A 47 -0.235 -3.076 -27.160 1.00 32.31 H new ATOM 0 HG3 GLN A 47 0.624 -3.485 -28.632 1.00 32.31 H new ATOM 0 HE21 GLN A 47 1.623 -1.769 -25.671 1.00 41.10 H new ATOM 0 HE22 GLN A 47 2.953 -2.846 -25.233 1.00 41.10 H new ATOM 730 N VAL A 48 -1.745 -2.882 -29.103 1.00 35.04 N ATOM 731 CA VAL A 48 -2.958 -3.641 -28.848 1.00 60.33 C ATOM 732 C VAL A 48 -2.957 -4.125 -27.397 1.00 3.13 C ATOM 733 O VAL A 48 -2.351 -5.148 -27.080 1.00 12.41 O ATOM 734 CB VAL A 48 -3.082 -4.784 -29.859 1.00 2.52 C ATOM 735 CG1 VAL A 48 -3.959 -5.910 -29.309 1.00 12.44 C ATOM 736 CG2 VAL A 48 -3.618 -4.275 -31.198 1.00 53.32 C ATOM 0 H VAL A 48 -1.034 -3.381 -29.638 1.00 35.04 H new ATOM 0 HA VAL A 48 -3.837 -3.011 -28.980 1.00 60.33 H new ATOM 0 HB VAL A 48 -2.085 -5.190 -30.030 1.00 2.52 H new ATOM 0 HG11 VAL A 48 -4.030 -6.709 -30.047 1.00 12.44 H new ATOM 0 HG12 VAL A 48 -3.517 -6.301 -28.393 1.00 12.44 H new ATOM 0 HG13 VAL A 48 -4.955 -5.524 -29.095 1.00 12.44 H new ATOM 0 HG21 VAL A 48 -3.697 -5.107 -31.898 1.00 53.32 H new ATOM 0 HG22 VAL A 48 -4.602 -3.831 -31.051 1.00 53.32 H new ATOM 0 HG23 VAL A 48 -2.938 -3.525 -31.601 1.00 53.32 H new ATOM 746 N VAL A 49 -3.642 -3.367 -26.553 1.00 43.44 N ATOM 747 CA VAL A 49 -3.727 -3.705 -25.143 1.00 12.02 C ATOM 748 C VAL A 49 -5.008 -4.502 -24.891 1.00 34.41 C ATOM 749 O VAL A 49 -6.109 -3.964 -24.994 1.00 74.01 O ATOM 750 CB VAL A 49 -3.636 -2.435 -24.294 1.00 35.43 C ATOM 751 CG1 VAL A 49 -3.786 -2.759 -22.806 1.00 33.11 C ATOM 752 CG2 VAL A 49 -2.329 -1.688 -24.563 1.00 52.34 C ATOM 0 H VAL A 49 -4.143 -2.520 -26.819 1.00 43.44 H new ATOM 0 HA VAL A 49 -2.888 -4.336 -24.850 1.00 12.02 H new ATOM 0 HB VAL A 49 -4.460 -1.781 -24.580 1.00 35.43 H new ATOM 0 HG11 VAL A 49 -3.718 -1.839 -22.225 1.00 33.11 H new ATOM 0 HG12 VAL A 49 -4.755 -3.227 -22.631 1.00 33.11 H new ATOM 0 HG13 VAL A 49 -2.993 -3.441 -22.500 1.00 33.11 H new ATOM 0 HG21 VAL A 49 -2.290 -0.790 -23.947 1.00 52.34 H new ATOM 0 HG22 VAL A 49 -1.485 -2.333 -24.319 1.00 52.34 H new ATOM 0 HG23 VAL A 49 -2.280 -1.409 -25.615 1.00 52.34 H new ATOM 762 N PRO A 50 -4.817 -5.807 -24.557 1.00 11.24 N ATOM 763 CA PRO A 50 -5.944 -6.684 -24.289 1.00 52.21 C ATOM 764 C PRO A 50 -6.557 -6.387 -22.919 1.00 53.31 C ATOM 765 O PRO A 50 -5.876 -5.888 -22.025 1.00 45.10 O ATOM 766 CB PRO A 50 -5.381 -8.092 -24.395 1.00 51.42 C ATOM 767 CG PRO A 50 -3.874 -7.949 -24.258 1.00 20.13 C ATOM 768 CD PRO A 50 -3.528 -6.479 -24.425 1.00 4.30 C ATOM 0 HA PRO A 50 -6.763 -6.543 -24.994 1.00 52.21 H new ATOM 0 HB2 PRO A 50 -5.785 -8.734 -23.613 1.00 51.42 H new ATOM 0 HB3 PRO A 50 -5.645 -8.548 -25.349 1.00 51.42 H new ATOM 0 HG2 PRO A 50 -3.543 -8.311 -23.284 1.00 20.13 H new ATOM 0 HG3 PRO A 50 -3.364 -8.549 -25.011 1.00 20.13 H new ATOM 0 HD2 PRO A 50 -2.972 -6.103 -23.566 1.00 4.30 H new ATOM 0 HD3 PRO A 50 -2.905 -6.316 -25.304 1.00 4.30 H new ATOM 776 N MET A 51 -7.837 -6.706 -22.797 1.00 54.35 N ATOM 777 CA MET A 51 -8.550 -6.479 -21.552 1.00 21.45 C ATOM 778 C MET A 51 -7.821 -7.134 -20.376 1.00 41.32 C ATOM 779 O MET A 51 -7.603 -8.344 -20.373 1.00 21.24 O ATOM 780 CB MET A 51 -9.963 -7.055 -21.660 1.00 15.22 C ATOM 781 CG MET A 51 -10.726 -6.887 -20.344 1.00 21.21 C ATOM 782 SD MET A 51 -12.051 -8.079 -20.250 1.00 55.14 S ATOM 783 CE MET A 51 -12.677 -7.978 -21.919 1.00 61.42 C ATOM 0 H MET A 51 -8.399 -7.120 -23.541 1.00 54.35 H new ATOM 0 HA MET A 51 -8.598 -5.405 -21.374 1.00 21.45 H new ATOM 0 HB2 MET A 51 -10.503 -6.555 -22.464 1.00 15.22 H new ATOM 0 HB3 MET A 51 -9.910 -8.112 -21.921 1.00 15.22 H new ATOM 0 HG2 MET A 51 -10.047 -7.018 -19.501 1.00 21.21 H new ATOM 0 HG3 MET A 51 -11.129 -5.877 -20.274 1.00 21.21 H new ATOM 0 HE1 MET A 51 -13.608 -8.539 -21.993 1.00 61.42 H new ATOM 0 HE2 MET A 51 -12.861 -6.935 -22.176 1.00 61.42 H new ATOM 0 HE3 MET A 51 -11.945 -8.398 -22.608 1.00 61.42 H new ATOM 793 N GLY A 52 -7.464 -6.304 -19.407 1.00 20.12 N ATOM 794 CA GLY A 52 -6.764 -6.787 -18.229 1.00 10.25 C ATOM 795 C GLY A 52 -5.281 -6.414 -18.280 1.00 51.44 C ATOM 796 O GLY A 52 -4.586 -6.477 -17.268 1.00 3.42 O ATOM 0 H GLY A 52 -7.646 -5.300 -19.414 1.00 20.12 H new ATOM 0 HA2 GLY A 52 -7.218 -6.364 -17.333 1.00 10.25 H new ATOM 0 HA3 GLY A 52 -6.868 -7.870 -18.158 1.00 10.25 H new ATOM 800 N THR A 53 -4.841 -6.033 -19.471 1.00 23.33 N ATOM 801 CA THR A 53 -3.453 -5.650 -19.668 1.00 11.01 C ATOM 802 C THR A 53 -3.188 -4.273 -19.056 1.00 21.34 C ATOM 803 O THR A 53 -3.729 -3.270 -19.517 1.00 54.11 O ATOM 804 CB THR A 53 -3.153 -5.717 -21.167 1.00 4.44 C ATOM 805 OG1 THR A 53 -3.239 -7.105 -21.477 1.00 14.42 O ATOM 806 CG2 THR A 53 -1.702 -5.353 -21.490 1.00 11.52 C ATOM 0 H THR A 53 -5.421 -5.981 -20.309 1.00 23.33 H new ATOM 0 HA THR A 53 -2.777 -6.334 -19.155 1.00 11.01 H new ATOM 0 HB THR A 53 -3.824 -5.045 -21.702 1.00 4.44 H new ATOM 0 HG1 THR A 53 -2.366 -7.426 -21.786 1.00 14.42 H new ATOM 0 HG21 THR A 53 -1.542 -5.416 -22.566 1.00 11.52 H new ATOM 0 HG22 THR A 53 -1.498 -4.337 -21.152 1.00 11.52 H new ATOM 0 HG23 THR A 53 -1.031 -6.046 -20.982 1.00 11.52 H new ATOM 814 N THR A 54 -2.355 -4.270 -18.025 1.00 43.25 N ATOM 815 CA THR A 54 -2.011 -3.033 -17.345 1.00 51.30 C ATOM 816 C THR A 54 -1.583 -1.968 -18.357 1.00 71.44 C ATOM 817 O THR A 54 -0.784 -2.243 -19.252 1.00 13.34 O ATOM 818 CB THR A 54 -0.935 -3.349 -16.304 1.00 53.21 C ATOM 819 OG1 THR A 54 -1.365 -4.577 -15.723 1.00 2.22 O ATOM 820 CG2 THR A 54 -0.943 -2.361 -15.136 1.00 3.22 C ATOM 0 H THR A 54 -1.909 -5.104 -17.644 1.00 43.25 H new ATOM 0 HA THR A 54 -2.873 -2.615 -16.826 1.00 51.30 H new ATOM 0 HB THR A 54 0.045 -3.340 -16.780 1.00 53.21 H new ATOM 0 HG1 THR A 54 -0.646 -4.946 -15.169 1.00 2.22 H new ATOM 0 HG21 THR A 54 -0.161 -2.630 -14.426 1.00 3.22 H new ATOM 0 HG22 THR A 54 -0.762 -1.353 -15.510 1.00 3.22 H new ATOM 0 HG23 THR A 54 -1.912 -2.394 -14.638 1.00 3.22 H new ATOM 828 N LEU A 55 -2.134 -0.776 -18.183 1.00 24.13 N ATOM 829 CA LEU A 55 -1.819 0.331 -19.070 1.00 21.22 C ATOM 830 C LEU A 55 -0.499 0.970 -18.632 1.00 54.04 C ATOM 831 O LEU A 55 -0.317 1.284 -17.457 1.00 61.51 O ATOM 832 CB LEU A 55 -2.988 1.316 -19.133 1.00 60.34 C ATOM 833 CG LEU A 55 -3.038 2.218 -20.368 1.00 14.21 C ATOM 834 CD1 LEU A 55 -2.698 1.432 -21.636 1.00 15.43 C ATOM 835 CD2 LEU A 55 -4.392 2.924 -20.476 1.00 64.23 C ATOM 0 H LEU A 55 -2.797 -0.552 -17.441 1.00 24.13 H new ATOM 0 HA LEU A 55 -1.678 -0.026 -20.090 1.00 21.22 H new ATOM 0 HB2 LEU A 55 -3.918 0.750 -19.083 1.00 60.34 H new ATOM 0 HB3 LEU A 55 -2.952 1.949 -18.246 1.00 60.34 H new ATOM 0 HG LEU A 55 -2.279 2.992 -20.257 1.00 14.21 H new ATOM 0 HD11 LEU A 55 -2.741 2.097 -22.499 1.00 15.43 H new ATOM 0 HD12 LEU A 55 -1.694 1.016 -21.548 1.00 15.43 H new ATOM 0 HD13 LEU A 55 -3.416 0.622 -21.766 1.00 15.43 H new ATOM 0 HD21 LEU A 55 -4.402 3.559 -21.362 1.00 64.23 H new ATOM 0 HD22 LEU A 55 -5.185 2.180 -20.554 1.00 64.23 H new ATOM 0 HD23 LEU A 55 -4.555 3.536 -19.589 1.00 64.23 H new ATOM 847 N MET A 56 0.387 1.144 -19.602 1.00 12.22 N ATOM 848 CA MET A 56 1.684 1.740 -19.332 1.00 1.44 C ATOM 849 C MET A 56 1.767 3.156 -19.906 1.00 2.24 C ATOM 850 O MET A 56 0.983 3.522 -20.780 1.00 3.52 O ATOM 851 CB MET A 56 2.783 0.874 -19.949 1.00 61.54 C ATOM 852 CG MET A 56 3.016 -0.390 -19.119 1.00 60.41 C ATOM 853 SD MET A 56 4.360 -0.129 -17.973 1.00 75.23 S ATOM 854 CE MET A 56 3.520 -0.455 -16.432 1.00 62.00 C ATOM 0 H MET A 56 0.232 0.883 -20.576 1.00 12.22 H new ATOM 0 HA MET A 56 1.818 1.797 -18.252 1.00 1.44 H new ATOM 0 HB2 MET A 56 2.506 0.599 -20.967 1.00 61.54 H new ATOM 0 HB3 MET A 56 3.708 1.446 -20.014 1.00 61.54 H new ATOM 0 HG2 MET A 56 2.108 -0.650 -18.574 1.00 60.41 H new ATOM 0 HG3 MET A 56 3.245 -1.229 -19.776 1.00 60.41 H new ATOM 0 HE1 MET A 56 3.916 0.200 -15.656 1.00 62.00 H new ATOM 0 HE2 MET A 56 2.453 -0.270 -16.553 1.00 62.00 H new ATOM 0 HE3 MET A 56 3.678 -1.494 -16.144 1.00 62.00 H new ATOM 864 N PRO A 57 2.750 3.934 -19.377 1.00 14.01 N ATOM 865 CA PRO A 57 2.945 5.301 -19.827 1.00 43.52 C ATOM 866 C PRO A 57 3.612 5.335 -21.204 1.00 52.31 C ATOM 867 O PRO A 57 3.525 6.335 -21.915 1.00 43.22 O ATOM 868 CB PRO A 57 3.787 5.956 -18.744 1.00 32.13 C ATOM 869 CG PRO A 57 4.420 4.816 -17.962 1.00 55.10 C ATOM 870 CD PRO A 57 3.696 3.534 -18.340 1.00 65.22 C ATOM 0 HA PRO A 57 2.006 5.837 -19.962 1.00 43.52 H new ATOM 0 HB2 PRO A 57 4.550 6.602 -19.179 1.00 32.13 H new ATOM 0 HB3 PRO A 57 3.172 6.581 -18.096 1.00 32.13 H new ATOM 0 HG2 PRO A 57 5.482 4.737 -18.194 1.00 55.10 H new ATOM 0 HG3 PRO A 57 4.340 4.998 -16.890 1.00 55.10 H new ATOM 0 HD2 PRO A 57 4.392 2.780 -18.708 1.00 65.22 H new ATOM 0 HD3 PRO A 57 3.183 3.101 -17.481 1.00 65.22 H new ATOM 878 N ASP A 58 4.262 4.230 -21.539 1.00 12.32 N ATOM 879 CA ASP A 58 4.942 4.121 -22.818 1.00 25.22 C ATOM 880 C ASP A 58 4.068 3.325 -23.789 1.00 43.34 C ATOM 881 O ASP A 58 4.501 2.996 -24.893 1.00 24.04 O ATOM 882 CB ASP A 58 6.276 3.385 -22.671 1.00 11.31 C ATOM 883 CG ASP A 58 7.519 4.254 -22.870 1.00 42.42 C ATOM 884 OD1 ASP A 58 7.592 5.059 -23.811 1.00 12.23 O ATOM 885 OD2 ASP A 58 8.453 4.078 -21.998 1.00 64.32 O ATOM 0 H ASP A 58 4.332 3.403 -20.947 1.00 12.32 H new ATOM 0 HA ASP A 58 5.125 5.129 -23.190 1.00 25.22 H new ATOM 0 HB2 ASP A 58 6.319 2.937 -21.678 1.00 11.31 H new ATOM 0 HB3 ASP A 58 6.304 2.567 -23.391 1.00 11.31 H new ATOM 891 N MET A 59 2.854 3.040 -23.344 1.00 74.33 N ATOM 892 CA MET A 59 1.915 2.289 -24.161 1.00 13.03 C ATOM 893 C MET A 59 0.729 3.162 -24.575 1.00 55.02 C ATOM 894 O MET A 59 -0.348 2.650 -24.878 1.00 31.34 O ATOM 895 CB MET A 59 1.408 1.079 -23.374 1.00 32.23 C ATOM 896 CG MET A 59 2.394 -0.088 -23.466 1.00 52.44 C ATOM 897 SD MET A 59 1.552 -1.626 -23.134 1.00 62.22 S ATOM 898 CE MET A 59 0.490 -1.115 -21.794 1.00 31.31 C ATOM 0 H MET A 59 2.498 3.315 -22.429 1.00 74.33 H new ATOM 0 HA MET A 59 2.430 1.957 -25.062 1.00 13.03 H new ATOM 0 HB2 MET A 59 1.262 1.355 -22.330 1.00 32.23 H new ATOM 0 HB3 MET A 59 0.437 0.770 -23.761 1.00 32.23 H new ATOM 0 HG2 MET A 59 2.844 -0.117 -24.458 1.00 52.44 H new ATOM 0 HG3 MET A 59 3.205 0.053 -22.752 1.00 52.44 H new ATOM 0 HE1 MET A 59 -0.232 -1.903 -21.581 1.00 31.31 H new ATOM 0 HE2 MET A 59 1.092 -0.924 -20.905 1.00 31.31 H new ATOM 0 HE3 MET A 59 -0.039 -0.205 -22.076 1.00 31.31 H new ATOM 908 N VAL A 60 0.966 4.465 -24.576 1.00 12.53 N ATOM 909 CA VAL A 60 -0.070 5.415 -24.948 1.00 64.51 C ATOM 910 C VAL A 60 0.551 6.539 -25.779 1.00 53.34 C ATOM 911 O VAL A 60 1.679 6.955 -25.523 1.00 44.52 O ATOM 912 CB VAL A 60 -0.788 5.923 -23.697 1.00 33.44 C ATOM 913 CG1 VAL A 60 -1.858 6.955 -24.060 1.00 20.54 C ATOM 914 CG2 VAL A 60 -1.392 4.763 -22.902 1.00 73.23 C ATOM 0 H VAL A 60 1.860 4.886 -24.325 1.00 12.53 H new ATOM 0 HA VAL A 60 -0.827 4.933 -25.567 1.00 64.51 H new ATOM 0 HB VAL A 60 -0.050 6.415 -23.063 1.00 33.44 H new ATOM 0 HG11 VAL A 60 -2.353 7.300 -23.152 1.00 20.54 H new ATOM 0 HG12 VAL A 60 -1.391 7.802 -24.563 1.00 20.54 H new ATOM 0 HG13 VAL A 60 -2.593 6.499 -24.724 1.00 20.54 H new ATOM 0 HG21 VAL A 60 -1.897 5.152 -22.018 1.00 73.23 H new ATOM 0 HG22 VAL A 60 -2.110 4.230 -23.525 1.00 73.23 H new ATOM 0 HG23 VAL A 60 -0.600 4.080 -22.597 1.00 73.23 H new ATOM 924 N LYS A 61 -0.214 6.999 -26.758 1.00 55.34 N ATOM 925 CA LYS A 61 0.246 8.068 -27.629 1.00 32.30 C ATOM 926 C LYS A 61 -0.155 9.417 -27.029 1.00 23.11 C ATOM 927 O LYS A 61 -1.221 9.541 -26.429 1.00 54.52 O ATOM 928 CB LYS A 61 -0.264 7.854 -29.056 1.00 21.54 C ATOM 929 CG LYS A 61 0.322 6.576 -29.661 1.00 14.10 C ATOM 930 CD LYS A 61 0.186 6.580 -31.185 1.00 22.40 C ATOM 931 CE LYS A 61 0.094 5.153 -31.730 1.00 41.25 C ATOM 932 NZ LYS A 61 0.173 5.157 -33.208 1.00 42.44 N ATOM 0 H LYS A 61 -1.150 6.651 -26.968 1.00 55.34 H new ATOM 0 HA LYS A 61 1.334 8.060 -27.699 1.00 32.30 H new ATOM 0 HB2 LYS A 61 -1.352 7.793 -29.052 1.00 21.54 H new ATOM 0 HB3 LYS A 61 0.005 8.710 -29.675 1.00 21.54 H new ATOM 0 HG2 LYS A 61 1.373 6.488 -29.386 1.00 14.10 H new ATOM 0 HG3 LYS A 61 -0.189 5.706 -29.249 1.00 14.10 H new ATOM 0 HD2 LYS A 61 -0.703 7.141 -31.473 1.00 22.40 H new ATOM 0 HD3 LYS A 61 1.042 7.088 -31.629 1.00 22.40 H new ATOM 0 HE2 LYS A 61 0.901 4.547 -31.318 1.00 41.25 H new ATOM 0 HE3 LYS A 61 -0.842 4.695 -31.411 1.00 41.25 H new ATOM 0 HZ1 LYS A 61 0.109 4.181 -33.562 1.00 42.44 H new ATOM 0 HZ2 LYS A 61 -0.612 5.718 -33.596 1.00 42.44 H new ATOM 0 HZ3 LYS A 61 1.078 5.575 -33.506 1.00 42.44 H new ATOM 945 N GLY A 62 0.722 10.393 -27.211 1.00 41.32 N ATOM 946 CA GLY A 62 0.473 11.729 -26.695 1.00 63.33 C ATOM 947 C GLY A 62 0.306 11.707 -25.175 1.00 34.44 C ATOM 948 O GLY A 62 -0.165 12.677 -24.584 1.00 54.53 O ATOM 0 H GLY A 62 1.606 10.286 -27.708 1.00 41.32 H new ATOM 0 HA2 GLY A 62 1.300 12.387 -26.964 1.00 63.33 H new ATOM 0 HA3 GLY A 62 -0.425 12.140 -27.157 1.00 63.33 H new ATOM 952 N TYR A 63 0.700 10.588 -24.584 1.00 4.30 N ATOM 953 CA TYR A 63 0.600 10.427 -23.143 1.00 72.14 C ATOM 954 C TYR A 63 1.717 11.188 -22.427 1.00 42.01 C ATOM 955 O TYR A 63 2.630 11.706 -23.068 1.00 63.02 O ATOM 956 CB TYR A 63 0.765 8.930 -22.874 1.00 71.13 C ATOM 957 CG TYR A 63 0.929 8.578 -21.394 1.00 54.23 C ATOM 958 CD1 TYR A 63 2.170 8.663 -20.798 1.00 44.20 C ATOM 959 CD2 TYR A 63 -0.165 8.176 -20.656 1.00 34.25 C ATOM 960 CE1 TYR A 63 2.325 8.332 -19.405 1.00 55.11 C ATOM 961 CE2 TYR A 63 -0.011 7.845 -19.263 1.00 33.34 C ATOM 962 CZ TYR A 63 1.226 7.939 -18.706 1.00 40.31 C ATOM 963 OH TYR A 63 1.372 7.627 -17.391 1.00 34.44 O ATOM 0 H TYR A 63 1.089 9.784 -25.077 1.00 4.30 H new ATOM 0 HA TYR A 63 -0.351 10.815 -22.779 1.00 72.14 H new ATOM 0 HB2 TYR A 63 -0.104 8.403 -23.268 1.00 71.13 H new ATOM 0 HB3 TYR A 63 1.634 8.567 -23.422 1.00 71.13 H new ATOM 0 HD1 TYR A 63 3.026 8.978 -21.376 1.00 44.20 H new ATOM 0 HD2 TYR A 63 -1.137 8.110 -21.123 1.00 34.25 H new ATOM 0 HE1 TYR A 63 3.291 8.394 -18.926 1.00 55.11 H new ATOM 0 HE2 TYR A 63 -0.859 7.529 -18.674 1.00 33.34 H new ATOM 0 HH TYR A 63 0.541 7.829 -16.913 1.00 34.44 H new ATOM 973 N ALA A 64 1.608 11.232 -21.107 1.00 62.44 N ATOM 974 CA ALA A 64 2.598 11.921 -20.297 1.00 30.30 C ATOM 975 C ALA A 64 2.116 11.972 -18.846 1.00 1.52 C ATOM 976 O ALA A 64 0.914 12.001 -18.588 1.00 12.12 O ATOM 977 CB ALA A 64 2.853 13.313 -20.877 1.00 13.42 C ATOM 0 H ALA A 64 0.849 10.802 -20.578 1.00 62.44 H new ATOM 0 HA ALA A 64 3.547 11.384 -20.310 1.00 30.30 H new ATOM 0 HB1 ALA A 64 3.596 13.830 -20.269 1.00 13.42 H new ATOM 0 HB2 ALA A 64 3.221 13.220 -21.899 1.00 13.42 H new ATOM 0 HB3 ALA A 64 1.924 13.883 -20.877 1.00 13.42 H new ATOM 983 N PRO A 65 3.105 11.983 -17.912 1.00 13.31 N ATOM 984 CA PRO A 65 2.794 12.031 -16.493 1.00 52.14 C ATOM 985 C PRO A 65 2.339 13.432 -16.079 1.00 23.04 C ATOM 986 O PRO A 65 2.228 14.326 -16.916 1.00 72.33 O ATOM 987 CB PRO A 65 4.070 11.590 -15.796 1.00 21.12 C ATOM 988 CG PRO A 65 5.183 11.759 -16.817 1.00 62.32 C ATOM 989 CD PRO A 65 4.539 11.950 -18.181 1.00 4.33 C ATOM 0 HA PRO A 65 1.963 11.380 -16.222 1.00 52.14 H new ATOM 0 HB2 PRO A 65 4.259 12.194 -14.909 1.00 21.12 H new ATOM 0 HB3 PRO A 65 3.997 10.554 -15.466 1.00 21.12 H new ATOM 0 HG2 PRO A 65 5.805 12.618 -16.565 1.00 62.32 H new ATOM 0 HG3 PRO A 65 5.833 10.884 -16.821 1.00 62.32 H new ATOM 0 HD2 PRO A 65 4.875 12.874 -18.652 1.00 4.33 H new ATOM 0 HD3 PRO A 65 4.796 11.135 -18.858 1.00 4.33 H new