USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 505 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 -164:sc= -2.05 USER MOD Set 1.2: A 21 MET CE :methyl -126:sc= -3.37 (180deg=-7.59!) USER MOD Set 2.1: A 14 ASN : amide:sc= -8.49! K(o=-12!,f=-5.9) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.03 K(o=-12,f=-5.9) USER MOD Set 2.3: A 61 LYS NZ :NH3+ -155:sc= -3.84 (180deg=-0.408) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 140:sc= -0.247 USER MOD Single : A 9 GLN : amide:sc= -2.35! C(o=-2.3!,f=-2.6!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.52 USER MOD Single : A 22 MET CE :methyl -167:sc= -2.78 (180deg=-3.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 24 THR OG1 : rot 142:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -134:sc= -5.3! (180deg=-12.1!) USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-6.5!) USER MOD Single : A 47 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.72) USER MOD Single : A 51 MET CE :methyl 172:sc= -3.36! (180deg=-3.69!) USER MOD Single : A 53 THR OG1 : rot 98:sc= 0.0581 USER MOD Single : A 54 THR OG1 : rot -25:sc= -5! USER MOD Single : A 56 MET CE :methyl -162:sc= -4.63! (180deg=-5.54!) USER MOD Single : A 59 MET CE :methyl 155:sc= -6.34! (180deg=-7.24!) USER MOD Single : A 63 TYR OH : rot 166:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.545 -0.885 -5.212 1.00 65.41 N ATOM 33 CA GLN A 2 -2.076 -0.228 -6.394 1.00 71.52 C ATOM 34 C GLN A 2 -3.584 -0.467 -6.501 1.00 44.22 C ATOM 35 O GLN A 2 -4.018 -1.552 -6.884 1.00 15.13 O ATOM 36 CB GLN A 2 -1.355 -0.704 -7.657 1.00 22.22 C ATOM 37 CG GLN A 2 -1.978 -0.086 -8.910 1.00 45.30 C ATOM 38 CD GLN A 2 -1.381 1.294 -9.195 1.00 3.11 C ATOM 39 OE1 GLN A 2 -0.233 1.434 -9.583 1.00 44.22 O ATOM 40 NE2 GLN A 2 -2.222 2.302 -8.981 1.00 62.11 N ATOM 0 HA GLN A 2 -1.903 0.844 -6.299 1.00 71.52 H new ATOM 0 HB2 GLN A 2 -0.300 -0.435 -7.601 1.00 22.22 H new ATOM 0 HB3 GLN A 2 -1.404 -1.791 -7.720 1.00 22.22 H new ATOM 0 HG2 GLN A 2 -1.812 -0.742 -9.765 1.00 45.30 H new ATOM 0 HG3 GLN A 2 -3.057 0.000 -8.780 1.00 45.30 H new ATOM 0 HE21 GLN A 2 -3.170 2.115 -8.656 1.00 62.11 H new ATOM 0 HE22 GLN A 2 -1.918 3.262 -9.142 1.00 62.11 H new ATOM 49 N GLU A 3 -4.340 0.565 -6.157 1.00 5.34 N ATOM 50 CA GLU A 3 -5.789 0.482 -6.209 1.00 72.21 C ATOM 51 C GLU A 3 -6.289 0.808 -7.618 1.00 61.30 C ATOM 52 O GLU A 3 -6.168 1.943 -8.076 1.00 61.33 O ATOM 53 CB GLU A 3 -6.430 1.407 -5.173 1.00 4.14 C ATOM 54 CG GLU A 3 -6.833 0.629 -3.918 1.00 52.43 C ATOM 55 CD GLU A 3 -7.514 1.546 -2.900 1.00 53.22 C ATOM 56 OE1 GLU A 3 -8.377 2.355 -3.274 1.00 21.23 O ATOM 57 OE2 GLU A 3 -7.119 1.396 -1.681 1.00 50.24 O ATOM 0 H GLU A 3 -3.976 1.464 -5.841 1.00 5.34 H new ATOM 0 HA GLU A 3 -6.083 -0.539 -5.967 1.00 72.21 H new ATOM 0 HB2 GLU A 3 -5.731 2.199 -4.905 1.00 4.14 H new ATOM 0 HB3 GLU A 3 -7.308 1.889 -5.604 1.00 4.14 H new ATOM 0 HG2 GLU A 3 -7.508 -0.183 -4.190 1.00 52.43 H new ATOM 0 HG3 GLU A 3 -5.950 0.173 -3.469 1.00 52.43 H new ATOM 65 N SER A 4 -6.840 -0.208 -8.266 1.00 20.33 N ATOM 66 CA SER A 4 -7.359 -0.044 -9.613 1.00 65.11 C ATOM 67 C SER A 4 -8.884 0.074 -9.576 1.00 65.21 C ATOM 68 O SER A 4 -9.533 -0.497 -8.701 1.00 2.31 O ATOM 69 CB SER A 4 -6.938 -1.209 -10.511 1.00 22.31 C ATOM 70 OG SER A 4 -6.063 -2.111 -9.840 1.00 24.54 O ATOM 0 H SER A 4 -6.938 -1.148 -7.883 1.00 20.33 H new ATOM 0 HA SER A 4 -6.941 0.871 -10.031 1.00 65.11 H new ATOM 0 HB2 SER A 4 -7.825 -1.747 -10.847 1.00 22.31 H new ATOM 0 HB3 SER A 4 -6.444 -0.820 -11.402 1.00 22.31 H new ATOM 0 HG SER A 4 -6.297 -3.032 -10.079 1.00 24.54 H new ATOM 76 N VAL A 5 -9.411 0.818 -10.537 1.00 70.21 N ATOM 77 CA VAL A 5 -10.848 1.018 -10.626 1.00 25.15 C ATOM 78 C VAL A 5 -11.534 -0.333 -10.836 1.00 32.12 C ATOM 79 O VAL A 5 -11.080 -1.146 -11.640 1.00 13.31 O ATOM 80 CB VAL A 5 -11.168 2.029 -11.728 1.00 11.52 C ATOM 81 CG1 VAL A 5 -12.674 2.094 -11.992 1.00 23.22 C ATOM 82 CG2 VAL A 5 -10.612 3.412 -11.381 1.00 54.24 C ATOM 0 H VAL A 5 -8.869 1.290 -11.261 1.00 70.21 H new ATOM 0 HA VAL A 5 -11.234 1.438 -9.697 1.00 25.15 H new ATOM 0 HB VAL A 5 -10.682 1.692 -12.644 1.00 11.52 H new ATOM 0 HG11 VAL A 5 -12.874 2.820 -12.780 1.00 23.22 H new ATOM 0 HG12 VAL A 5 -13.031 1.113 -12.304 1.00 23.22 H new ATOM 0 HG13 VAL A 5 -13.190 2.396 -11.081 1.00 23.22 H new ATOM 0 HG21 VAL A 5 -10.853 4.112 -12.181 1.00 54.24 H new ATOM 0 HG22 VAL A 5 -11.056 3.759 -10.448 1.00 54.24 H new ATOM 0 HG23 VAL A 5 -9.530 3.351 -11.266 1.00 54.24 H new ATOM 92 N VAL A 6 -12.617 -0.531 -10.099 1.00 33.32 N ATOM 93 CA VAL A 6 -13.371 -1.770 -10.194 1.00 51.14 C ATOM 94 C VAL A 6 -14.862 -1.447 -10.317 1.00 5.52 C ATOM 95 O VAL A 6 -15.422 -0.753 -9.469 1.00 24.31 O ATOM 96 CB VAL A 6 -13.051 -2.671 -9.000 1.00 1.10 C ATOM 97 CG1 VAL A 6 -13.762 -4.020 -9.125 1.00 12.35 C ATOM 98 CG2 VAL A 6 -11.541 -2.860 -8.845 1.00 5.40 C ATOM 0 H VAL A 6 -12.991 0.146 -9.433 1.00 33.32 H new ATOM 0 HA VAL A 6 -13.084 -2.324 -11.088 1.00 51.14 H new ATOM 0 HB VAL A 6 -13.421 -2.179 -8.101 1.00 1.10 H new ATOM 0 HG11 VAL A 6 -13.518 -4.641 -8.263 1.00 12.35 H new ATOM 0 HG12 VAL A 6 -14.840 -3.861 -9.164 1.00 12.35 H new ATOM 0 HG13 VAL A 6 -13.436 -4.520 -10.037 1.00 12.35 H new ATOM 0 HG21 VAL A 6 -11.341 -3.504 -7.989 1.00 5.40 H new ATOM 0 HG22 VAL A 6 -11.137 -3.319 -9.747 1.00 5.40 H new ATOM 0 HG23 VAL A 6 -11.067 -1.891 -8.688 1.00 5.40 H new ATOM 108 N ALA A 7 -15.461 -1.964 -11.379 1.00 34.14 N ATOM 109 CA ALA A 7 -16.876 -1.739 -11.623 1.00 30.11 C ATOM 110 C ALA A 7 -17.662 -2.021 -10.341 1.00 23.23 C ATOM 111 O ALA A 7 -17.842 -3.177 -9.961 1.00 35.12 O ATOM 112 CB ALA A 7 -17.337 -2.611 -12.793 1.00 11.41 C ATOM 0 H ALA A 7 -14.993 -2.538 -12.080 1.00 34.14 H new ATOM 0 HA ALA A 7 -17.057 -0.700 -11.899 1.00 30.11 H new ATOM 0 HB1 ALA A 7 -18.398 -2.443 -12.976 1.00 11.41 H new ATOM 0 HB2 ALA A 7 -16.769 -2.351 -13.686 1.00 11.41 H new ATOM 0 HB3 ALA A 7 -17.173 -3.661 -12.551 1.00 11.41 H new ATOM 118 N ALA A 8 -18.108 -0.945 -9.709 1.00 64.31 N ATOM 119 CA ALA A 8 -18.870 -1.062 -8.477 1.00 63.55 C ATOM 120 C ALA A 8 -20.179 -1.802 -8.761 1.00 64.12 C ATOM 121 O ALA A 8 -20.747 -2.430 -7.869 1.00 51.21 O ATOM 122 CB ALA A 8 -19.103 0.329 -7.887 1.00 3.53 C ATOM 0 H ALA A 8 -17.956 0.012 -10.027 1.00 64.31 H new ATOM 0 HA ALA A 8 -18.317 -1.641 -7.737 1.00 63.55 H new ATOM 0 HB1 ALA A 8 -19.675 0.241 -6.963 1.00 3.53 H new ATOM 0 HB2 ALA A 8 -18.143 0.800 -7.677 1.00 3.53 H new ATOM 0 HB3 ALA A 8 -19.658 0.938 -8.600 1.00 3.53 H new ATOM 128 N GLN A 9 -20.619 -1.704 -10.007 1.00 43.50 N ATOM 129 CA GLN A 9 -21.850 -2.355 -10.420 1.00 31.35 C ATOM 130 C GLN A 9 -21.845 -2.591 -11.931 1.00 72.32 C ATOM 131 O GLN A 9 -20.979 -2.081 -12.640 1.00 21.02 O ATOM 132 CB GLN A 9 -23.072 -1.537 -9.996 1.00 62.43 C ATOM 133 CG GLN A 9 -22.786 -0.037 -10.087 1.00 25.21 C ATOM 134 CD GLN A 9 -24.084 0.771 -10.060 1.00 12.44 C ATOM 135 OE1 GLN A 9 -24.396 1.462 -9.103 1.00 61.12 O ATOM 136 NE2 GLN A 9 -24.822 0.648 -11.160 1.00 24.15 N ATOM 0 H GLN A 9 -20.144 -1.183 -10.744 1.00 43.50 H new ATOM 0 HA GLN A 9 -21.911 -3.323 -9.922 1.00 31.35 H new ATOM 0 HB2 GLN A 9 -23.921 -1.788 -10.632 1.00 62.43 H new ATOM 0 HB3 GLN A 9 -23.351 -1.796 -8.975 1.00 62.43 H new ATOM 0 HG2 GLN A 9 -22.147 0.266 -9.257 1.00 25.21 H new ATOM 0 HG3 GLN A 9 -22.239 0.178 -11.005 1.00 25.21 H new ATOM 0 HE21 GLN A 9 -24.503 0.053 -11.925 1.00 24.15 H new ATOM 0 HE22 GLN A 9 -25.707 1.149 -11.239 1.00 24.15 H new ATOM 145 N LEU A 10 -22.823 -3.365 -12.380 1.00 44.24 N ATOM 146 CA LEU A 10 -22.942 -3.675 -13.795 1.00 42.51 C ATOM 147 C LEU A 10 -22.854 -2.380 -14.605 1.00 42.34 C ATOM 148 O LEU A 10 -23.576 -1.422 -14.333 1.00 33.32 O ATOM 149 CB LEU A 10 -24.214 -4.482 -14.061 1.00 50.55 C ATOM 150 CG LEU A 10 -24.464 -4.878 -15.518 1.00 54.40 C ATOM 151 CD1 LEU A 10 -23.625 -6.096 -15.907 1.00 33.32 C ATOM 152 CD2 LEU A 10 -25.956 -5.102 -15.777 1.00 24.24 C ATOM 0 H LEU A 10 -23.540 -3.786 -11.789 1.00 44.24 H new ATOM 0 HA LEU A 10 -22.117 -4.310 -14.117 1.00 42.51 H new ATOM 0 HB2 LEU A 10 -24.177 -5.390 -13.460 1.00 50.55 H new ATOM 0 HB3 LEU A 10 -25.068 -3.902 -13.711 1.00 50.55 H new ATOM 0 HG LEU A 10 -24.147 -4.053 -16.156 1.00 54.40 H new ATOM 0 HD11 LEU A 10 -23.822 -6.356 -16.947 1.00 33.32 H new ATOM 0 HD12 LEU A 10 -22.567 -5.863 -15.785 1.00 33.32 H new ATOM 0 HD13 LEU A 10 -23.887 -6.938 -15.266 1.00 33.32 H new ATOM 0 HD21 LEU A 10 -26.106 -5.382 -16.820 1.00 24.24 H new ATOM 0 HD22 LEU A 10 -26.322 -5.900 -15.130 1.00 24.24 H new ATOM 0 HD23 LEU A 10 -26.504 -4.184 -15.566 1.00 24.24 H new ATOM 164 N ILE A 11 -21.962 -2.392 -15.585 1.00 73.04 N ATOM 165 CA ILE A 11 -21.770 -1.231 -16.437 1.00 55.42 C ATOM 166 C ILE A 11 -21.811 -1.667 -17.903 1.00 42.53 C ATOM 167 O ILE A 11 -20.865 -2.277 -18.399 1.00 53.14 O ATOM 168 CB ILE A 11 -20.489 -0.489 -16.051 1.00 52.22 C ATOM 169 CG1 ILE A 11 -20.611 0.126 -14.655 1.00 40.15 C ATOM 170 CG2 ILE A 11 -20.121 0.555 -17.107 1.00 42.24 C ATOM 171 CD1 ILE A 11 -19.256 0.144 -13.944 1.00 54.23 C ATOM 0 H ILE A 11 -21.364 -3.188 -15.808 1.00 73.04 H new ATOM 0 HA ILE A 11 -22.580 -0.516 -16.294 1.00 55.42 H new ATOM 0 HB ILE A 11 -19.674 -1.211 -16.014 1.00 52.22 H new ATOM 0 HG12 ILE A 11 -20.998 1.142 -14.734 1.00 40.15 H new ATOM 0 HG13 ILE A 11 -21.328 -0.444 -14.064 1.00 40.15 H new ATOM 0 HG21 ILE A 11 -19.207 1.068 -16.808 1.00 42.24 H new ATOM 0 HG22 ILE A 11 -19.964 0.062 -18.066 1.00 42.24 H new ATOM 0 HG23 ILE A 11 -20.930 1.280 -17.200 1.00 42.24 H new ATOM 0 HD11 ILE A 11 -19.370 0.586 -12.954 1.00 54.23 H new ATOM 0 HD12 ILE A 11 -18.883 -0.876 -13.845 1.00 54.23 H new ATOM 0 HD13 ILE A 11 -18.548 0.735 -14.525 1.00 54.23 H new ATOM 183 N PRO A 12 -22.945 -1.327 -18.573 1.00 21.12 N ATOM 184 CA PRO A 12 -23.121 -1.677 -19.972 1.00 40.20 C ATOM 185 C PRO A 12 -22.277 -0.773 -20.873 1.00 71.34 C ATOM 186 O PRO A 12 -21.667 0.185 -20.402 1.00 12.04 O ATOM 187 CB PRO A 12 -24.613 -1.542 -20.226 1.00 75.53 C ATOM 188 CG PRO A 12 -25.153 -0.679 -19.097 1.00 63.52 C ATOM 189 CD PRO A 12 -24.085 -0.604 -18.018 1.00 34.34 C ATOM 0 HA PRO A 12 -22.782 -2.688 -20.199 1.00 40.20 H new ATOM 0 HB2 PRO A 12 -24.804 -1.081 -21.195 1.00 75.53 H new ATOM 0 HB3 PRO A 12 -25.097 -2.519 -20.237 1.00 75.53 H new ATOM 0 HG2 PRO A 12 -25.398 0.318 -19.462 1.00 63.52 H new ATOM 0 HG3 PRO A 12 -26.072 -1.106 -18.696 1.00 63.52 H new ATOM 0 HD2 PRO A 12 -23.825 0.430 -17.790 1.00 34.34 H new ATOM 0 HD3 PRO A 12 -24.428 -1.059 -17.089 1.00 34.34 H new ATOM 197 N ILE A 13 -22.269 -1.111 -22.155 1.00 12.34 N ATOM 198 CA ILE A 13 -21.510 -0.342 -23.126 1.00 54.24 C ATOM 199 C ILE A 13 -22.142 1.043 -23.279 1.00 43.44 C ATOM 200 O ILE A 13 -23.363 1.182 -23.228 1.00 2.22 O ATOM 201 CB ILE A 13 -21.390 -1.112 -24.443 1.00 54.21 C ATOM 202 CG1 ILE A 13 -20.577 -0.320 -25.469 1.00 70.11 C ATOM 203 CG2 ILE A 13 -22.770 -1.498 -24.980 1.00 71.00 C ATOM 204 CD1 ILE A 13 -19.776 -1.257 -26.375 1.00 22.42 C ATOM 0 H ILE A 13 -22.776 -1.907 -22.543 1.00 12.34 H new ATOM 0 HA ILE A 13 -20.488 -0.190 -22.778 1.00 54.24 H new ATOM 0 HB ILE A 13 -20.849 -2.038 -24.249 1.00 54.21 H new ATOM 0 HG12 ILE A 13 -21.246 0.293 -26.074 1.00 70.11 H new ATOM 0 HG13 ILE A 13 -19.899 0.361 -24.954 1.00 70.11 H new ATOM 0 HG21 ILE A 13 -22.656 -2.044 -25.916 1.00 71.00 H new ATOM 0 HG22 ILE A 13 -23.280 -2.128 -24.252 1.00 71.00 H new ATOM 0 HG23 ILE A 13 -23.358 -0.597 -25.155 1.00 71.00 H new ATOM 0 HD11 ILE A 13 -19.207 -0.669 -27.095 1.00 22.42 H new ATOM 0 HD12 ILE A 13 -19.091 -1.851 -25.770 1.00 22.42 H new ATOM 0 HD13 ILE A 13 -20.458 -1.920 -26.907 1.00 22.42 H new ATOM 216 N ASN A 14 -21.281 2.034 -23.465 1.00 31.44 N ATOM 217 CA ASN A 14 -21.739 3.403 -23.625 1.00 53.15 C ATOM 218 C ASN A 14 -22.489 3.837 -22.364 1.00 61.03 C ATOM 219 O ASN A 14 -23.513 4.513 -22.448 1.00 74.42 O ATOM 220 CB ASN A 14 -22.698 3.528 -24.811 1.00 63.55 C ATOM 221 CG ASN A 14 -21.930 3.572 -26.134 1.00 73.23 C ATOM 222 OD1 ASN A 14 -22.255 4.315 -27.045 1.00 43.55 O ATOM 223 ND2 ASN A 14 -20.897 2.736 -26.189 1.00 11.04 N ATOM 0 H ASN A 14 -20.269 1.915 -23.508 1.00 31.44 H new ATOM 0 HA ASN A 14 -20.866 4.032 -23.799 1.00 53.15 H new ATOM 0 HB2 ASN A 14 -23.389 2.685 -24.815 1.00 63.55 H new ATOM 0 HB3 ASN A 14 -23.298 4.432 -24.704 1.00 63.55 H new ATOM 0 HD21 ASN A 14 -20.322 2.690 -27.030 1.00 11.04 H new ATOM 0 HD22 ASN A 14 -20.680 2.141 -25.390 1.00 11.04 H new ATOM 230 N THR A 15 -21.949 3.431 -21.224 1.00 72.15 N ATOM 231 CA THR A 15 -22.554 3.769 -19.947 1.00 52.24 C ATOM 232 C THR A 15 -21.725 4.837 -19.231 1.00 34.12 C ATOM 233 O THR A 15 -20.626 4.558 -18.754 1.00 13.30 O ATOM 234 CB THR A 15 -22.710 2.478 -19.141 1.00 42.22 C ATOM 235 OG1 THR A 15 -23.749 1.772 -19.814 1.00 65.20 O ATOM 236 CG2 THR A 15 -23.275 2.727 -17.741 1.00 64.31 C ATOM 0 H THR A 15 -21.099 2.871 -21.158 1.00 72.15 H new ATOM 0 HA THR A 15 -23.543 4.206 -20.081 1.00 52.24 H new ATOM 0 HB THR A 15 -21.743 1.982 -19.059 1.00 42.22 H new ATOM 0 HG1 THR A 15 -24.568 2.310 -19.807 1.00 65.20 H new ATOM 0 HG21 THR A 15 -23.366 1.779 -17.211 1.00 64.31 H new ATOM 0 HG22 THR A 15 -22.605 3.387 -17.190 1.00 64.31 H new ATOM 0 HG23 THR A 15 -24.257 3.192 -17.823 1.00 64.31 H new ATOM 244 N ALA A 16 -22.284 6.037 -19.178 1.00 11.14 N ATOM 245 CA ALA A 16 -21.610 7.148 -18.527 1.00 53.12 C ATOM 246 C ALA A 16 -21.186 6.728 -17.119 1.00 32.45 C ATOM 247 O ALA A 16 -22.019 6.628 -16.219 1.00 75.23 O ATOM 248 CB ALA A 16 -22.532 8.370 -18.518 1.00 64.44 C ATOM 0 H ALA A 16 -23.196 6.264 -19.575 1.00 11.14 H new ATOM 0 HA ALA A 16 -20.708 7.423 -19.074 1.00 53.12 H new ATOM 0 HB1 ALA A 16 -22.027 9.203 -18.030 1.00 64.44 H new ATOM 0 HB2 ALA A 16 -22.780 8.646 -19.543 1.00 64.44 H new ATOM 0 HB3 ALA A 16 -23.447 8.132 -17.975 1.00 64.44 H new ATOM 254 N LEU A 17 -19.891 6.492 -16.971 1.00 3.33 N ATOM 255 CA LEU A 17 -19.346 6.085 -15.687 1.00 21.22 C ATOM 256 C LEU A 17 -19.731 7.116 -14.624 1.00 34.52 C ATOM 257 O LEU A 17 -19.856 8.302 -14.921 1.00 53.54 O ATOM 258 CB LEU A 17 -17.838 5.848 -15.795 1.00 72.14 C ATOM 259 CG LEU A 17 -17.405 4.686 -16.692 1.00 3.04 C ATOM 260 CD1 LEU A 17 -15.907 4.758 -16.997 1.00 54.53 C ATOM 261 CD2 LEU A 17 -17.800 3.342 -16.076 1.00 42.04 C ATOM 0 H LEU A 17 -19.203 6.575 -17.719 1.00 3.33 H new ATOM 0 HA LEU A 17 -19.774 5.132 -15.377 1.00 21.22 H new ATOM 0 HB2 LEU A 17 -17.372 6.761 -16.166 1.00 72.14 H new ATOM 0 HB3 LEU A 17 -17.445 5.674 -14.793 1.00 72.14 H new ATOM 0 HG LEU A 17 -17.932 4.773 -17.642 1.00 3.04 H new ATOM 0 HD11 LEU A 17 -15.625 3.921 -17.636 1.00 54.53 H new ATOM 0 HD12 LEU A 17 -15.684 5.695 -17.507 1.00 54.53 H new ATOM 0 HD13 LEU A 17 -15.343 4.709 -16.065 1.00 54.53 H new ATOM 0 HD21 LEU A 17 -17.481 2.533 -16.733 1.00 42.04 H new ATOM 0 HD22 LEU A 17 -17.319 3.232 -15.104 1.00 42.04 H new ATOM 0 HD23 LEU A 17 -18.882 3.303 -15.951 1.00 42.04 H new ATOM 273 N THR A 18 -19.909 6.624 -13.406 1.00 51.42 N ATOM 274 CA THR A 18 -20.278 7.488 -12.297 1.00 41.03 C ATOM 275 C THR A 18 -19.591 7.026 -11.011 1.00 11.35 C ATOM 276 O THR A 18 -19.122 5.893 -10.926 1.00 23.45 O ATOM 277 CB THR A 18 -21.805 7.505 -12.199 1.00 5.12 C ATOM 278 OG1 THR A 18 -22.187 6.165 -12.498 1.00 2.41 O ATOM 279 CG2 THR A 18 -22.454 8.334 -13.309 1.00 3.42 C ATOM 0 H THR A 18 -19.805 5.639 -13.163 1.00 51.42 H new ATOM 0 HA THR A 18 -19.938 8.510 -12.461 1.00 41.03 H new ATOM 0 HB THR A 18 -22.102 7.903 -11.228 1.00 5.12 H new ATOM 0 HG1 THR A 18 -23.144 6.136 -12.707 1.00 2.41 H new ATOM 0 HG21 THR A 18 -23.538 8.313 -13.193 1.00 3.42 H new ATOM 0 HG22 THR A 18 -22.103 9.364 -13.247 1.00 3.42 H new ATOM 0 HG23 THR A 18 -22.185 7.917 -14.279 1.00 3.42 H new ATOM 287 N LEU A 19 -19.554 7.928 -10.041 1.00 11.51 N ATOM 288 CA LEU A 19 -18.932 7.628 -8.762 1.00 75.04 C ATOM 289 C LEU A 19 -19.751 6.555 -8.042 1.00 14.23 C ATOM 290 O LEU A 19 -19.300 5.987 -7.049 1.00 2.35 O ATOM 291 CB LEU A 19 -18.741 8.908 -7.946 1.00 32.43 C ATOM 292 CG LEU A 19 -17.771 8.812 -6.766 1.00 73.22 C ATOM 293 CD1 LEU A 19 -16.465 8.133 -7.184 1.00 53.31 C ATOM 294 CD2 LEU A 19 -17.528 10.188 -6.143 1.00 34.21 C ATOM 0 H LEU A 19 -19.945 8.867 -10.115 1.00 11.51 H new ATOM 0 HA LEU A 19 -17.932 7.220 -8.910 1.00 75.04 H new ATOM 0 HB2 LEU A 19 -18.391 9.694 -8.616 1.00 32.43 H new ATOM 0 HB3 LEU A 19 -19.713 9.222 -7.567 1.00 32.43 H new ATOM 0 HG LEU A 19 -18.227 8.187 -5.998 1.00 73.22 H new ATOM 0 HD11 LEU A 19 -15.793 8.077 -6.327 1.00 53.31 H new ATOM 0 HD12 LEU A 19 -16.677 7.126 -7.544 1.00 53.31 H new ATOM 0 HD13 LEU A 19 -15.993 8.711 -7.978 1.00 53.31 H new ATOM 0 HD21 LEU A 19 -16.835 10.092 -5.307 1.00 34.21 H new ATOM 0 HD22 LEU A 19 -17.102 10.856 -6.892 1.00 34.21 H new ATOM 0 HD23 LEU A 19 -18.473 10.598 -5.786 1.00 34.21 H new ATOM 306 N VAL A 20 -20.941 6.310 -8.570 1.00 54.02 N ATOM 307 CA VAL A 20 -21.827 5.315 -7.990 1.00 15.43 C ATOM 308 C VAL A 20 -21.746 4.026 -8.809 1.00 52.03 C ATOM 309 O VAL A 20 -22.432 3.050 -8.508 1.00 1.33 O ATOM 310 CB VAL A 20 -23.249 5.874 -7.893 1.00 22.32 C ATOM 311 CG1 VAL A 20 -23.231 7.353 -7.503 1.00 53.02 C ATOM 312 CG2 VAL A 20 -24.012 5.660 -9.202 1.00 0.24 C ATOM 0 H VAL A 20 -21.313 6.784 -9.394 1.00 54.02 H new ATOM 0 HA VAL A 20 -21.517 5.073 -6.973 1.00 15.43 H new ATOM 0 HB VAL A 20 -23.772 5.328 -7.108 1.00 22.32 H new ATOM 0 HG11 VAL A 20 -24.254 7.725 -7.441 1.00 53.02 H new ATOM 0 HG12 VAL A 20 -22.744 7.468 -6.535 1.00 53.02 H new ATOM 0 HG13 VAL A 20 -22.683 7.921 -8.255 1.00 53.02 H new ATOM 0 HG21 VAL A 20 -25.019 6.066 -9.107 1.00 0.24 H new ATOM 0 HG22 VAL A 20 -23.491 6.168 -10.014 1.00 0.24 H new ATOM 0 HG23 VAL A 20 -24.070 4.593 -9.419 1.00 0.24 H new ATOM 322 N MET A 21 -20.902 4.063 -9.830 1.00 11.42 N ATOM 323 CA MET A 21 -20.722 2.910 -10.695 1.00 53.00 C ATOM 324 C MET A 21 -19.247 2.513 -10.780 1.00 71.01 C ATOM 325 O MET A 21 -18.873 1.674 -11.598 1.00 25.02 O ATOM 326 CB MET A 21 -21.245 3.236 -12.096 1.00 30.15 C ATOM 327 CG MET A 21 -22.775 3.268 -12.116 1.00 64.11 C ATOM 328 SD MET A 21 -23.374 2.760 -13.719 1.00 13.42 S ATOM 329 CE MET A 21 -22.418 3.845 -14.765 1.00 64.34 C ATOM 0 H MET A 21 -20.335 4.874 -10.077 1.00 11.42 H new ATOM 0 HA MET A 21 -21.280 2.073 -10.275 1.00 53.00 H new ATOM 0 HB2 MET A 21 -20.853 4.200 -12.419 1.00 30.15 H new ATOM 0 HB3 MET A 21 -20.884 2.491 -12.805 1.00 30.15 H new ATOM 0 HG2 MET A 21 -23.171 2.608 -11.344 1.00 64.11 H new ATOM 0 HG3 MET A 21 -23.129 4.273 -11.888 1.00 64.11 H new ATOM 0 HE1 MET A 21 -23.087 4.399 -15.423 1.00 64.34 H new ATOM 0 HE2 MET A 21 -21.856 4.545 -14.146 1.00 64.34 H new ATOM 0 HE3 MET A 21 -21.726 3.255 -15.365 1.00 64.34 H new ATOM 339 N MET A 22 -18.450 3.135 -9.924 1.00 23.30 N ATOM 340 CA MET A 22 -17.024 2.857 -9.892 1.00 62.20 C ATOM 341 C MET A 22 -16.514 2.772 -8.452 1.00 21.50 C ATOM 342 O MET A 22 -17.136 3.308 -7.537 1.00 33.35 O ATOM 343 CB MET A 22 -16.271 3.962 -10.636 1.00 13.14 C ATOM 344 CG MET A 22 -16.624 3.959 -12.125 1.00 24.04 C ATOM 345 SD MET A 22 -15.561 5.091 -13.006 1.00 31.24 S ATOM 346 CE MET A 22 -16.310 6.643 -12.542 1.00 3.41 C ATOM 0 H MET A 22 -18.764 3.830 -9.247 1.00 23.30 H new ATOM 0 HA MET A 22 -16.849 1.896 -10.377 1.00 62.20 H new ATOM 0 HB2 MET A 22 -16.518 4.931 -10.202 1.00 13.14 H new ATOM 0 HB3 MET A 22 -15.197 3.822 -10.513 1.00 13.14 H new ATOM 0 HG2 MET A 22 -16.515 2.953 -12.531 1.00 24.04 H new ATOM 0 HG3 MET A 22 -17.667 4.246 -12.261 1.00 24.04 H new ATOM 0 HE1 MET A 22 -15.923 7.439 -13.179 1.00 3.41 H new ATOM 0 HE2 MET A 22 -17.391 6.576 -12.662 1.00 3.41 H new ATOM 0 HE3 MET A 22 -16.074 6.864 -11.501 1.00 3.41 H new ATOM 356 N THR A 23 -15.386 2.093 -8.296 1.00 53.45 N ATOM 357 CA THR A 23 -14.786 1.931 -6.983 1.00 43.14 C ATOM 358 C THR A 23 -13.316 1.528 -7.116 1.00 3.25 C ATOM 359 O THR A 23 -12.773 1.499 -8.219 1.00 0.50 O ATOM 360 CB THR A 23 -15.625 0.919 -6.201 1.00 72.13 C ATOM 361 OG1 THR A 23 -15.014 0.881 -4.915 1.00 1.33 O ATOM 362 CG2 THR A 23 -15.466 -0.508 -6.731 1.00 52.43 C ATOM 0 H THR A 23 -14.873 1.649 -9.057 1.00 53.45 H new ATOM 0 HA THR A 23 -14.785 2.870 -6.429 1.00 43.14 H new ATOM 0 HB THR A 23 -16.675 1.208 -6.245 1.00 72.13 H new ATOM 0 HG1 THR A 23 -15.497 0.250 -4.342 1.00 1.33 H new ATOM 0 HG21 THR A 23 -16.082 -1.186 -6.141 1.00 52.43 H new ATOM 0 HG22 THR A 23 -15.781 -0.546 -7.774 1.00 52.43 H new ATOM 0 HG23 THR A 23 -14.421 -0.810 -6.656 1.00 52.43 H new ATOM 370 N THR A 24 -12.713 1.227 -5.975 1.00 10.03 N ATOM 371 CA THR A 24 -11.316 0.827 -5.949 1.00 53.10 C ATOM 372 C THR A 24 -11.163 -0.531 -5.261 1.00 51.03 C ATOM 373 O THR A 24 -11.948 -0.877 -4.380 1.00 12.53 O ATOM 374 CB THR A 24 -10.517 1.944 -5.274 1.00 72.51 C ATOM 375 OG1 THR A 24 -10.837 1.812 -3.892 1.00 2.44 O ATOM 376 CG2 THR A 24 -11.030 3.337 -5.644 1.00 63.25 C ATOM 0 H THR A 24 -13.166 1.252 -5.062 1.00 10.03 H new ATOM 0 HA THR A 24 -10.924 0.691 -6.957 1.00 53.10 H new ATOM 0 HB THR A 24 -9.467 1.859 -5.553 1.00 72.51 H new ATOM 0 HG1 THR A 24 -10.038 1.989 -3.353 1.00 2.44 H new ATOM 0 HG21 THR A 24 -10.428 4.092 -5.138 1.00 63.25 H new ATOM 0 HG22 THR A 24 -10.957 3.477 -6.722 1.00 63.25 H new ATOM 0 HG23 THR A 24 -12.071 3.435 -5.335 1.00 63.25 H new ATOM 384 N ARG A 25 -10.147 -1.264 -5.691 1.00 23.44 N ATOM 385 CA ARG A 25 -9.880 -2.577 -5.127 1.00 74.13 C ATOM 386 C ARG A 25 -8.668 -3.212 -5.811 1.00 4.14 C ATOM 387 O ARG A 25 -8.602 -3.270 -7.038 1.00 21.25 O ATOM 388 CB ARG A 25 -11.089 -3.501 -5.288 1.00 13.10 C ATOM 389 CG ARG A 25 -11.280 -4.376 -4.047 1.00 44.22 C ATOM 390 CD ARG A 25 -10.650 -5.756 -4.248 1.00 14.13 C ATOM 391 NE ARG A 25 -11.303 -6.743 -3.359 1.00 64.41 N ATOM 392 CZ ARG A 25 -10.707 -7.870 -2.914 1.00 32.32 C ATOM 393 NH1 ARG A 25 -9.439 -8.162 -3.272 1.00 23.25 N ATOM 394 NH2 ARG A 25 -11.384 -8.682 -2.123 1.00 72.45 N ATOM 0 H ARG A 25 -9.499 -0.974 -6.423 1.00 23.44 H new ATOM 0 HA ARG A 25 -9.675 -2.446 -4.064 1.00 74.13 H new ATOM 0 HB2 ARG A 25 -11.986 -2.906 -5.459 1.00 13.10 H new ATOM 0 HB3 ARG A 25 -10.954 -4.133 -6.166 1.00 13.10 H new ATOM 0 HG2 ARG A 25 -10.830 -3.889 -3.182 1.00 44.22 H new ATOM 0 HG3 ARG A 25 -12.344 -4.485 -3.834 1.00 44.22 H new ATOM 0 HD2 ARG A 25 -10.755 -6.065 -5.288 1.00 14.13 H new ATOM 0 HD3 ARG A 25 -9.582 -5.712 -4.035 1.00 14.13 H new ATOM 0 HE ARG A 25 -12.262 -6.561 -3.064 1.00 64.41 H new ATOM 0 HH11 ARG A 25 -8.923 -7.529 -3.883 1.00 23.25 H new ATOM 0 HH12 ARG A 25 -8.997 -9.016 -2.931 1.00 23.25 H new ATOM 0 HH21 ARG A 25 -12.342 -8.454 -1.857 1.00 72.45 H new ATOM 0 HH22 ARG A 25 -10.949 -9.538 -1.778 1.00 72.45 H new ATOM 407 N VAL A 26 -7.738 -3.672 -4.987 1.00 4.34 N ATOM 408 CA VAL A 26 -6.531 -4.300 -5.496 1.00 64.13 C ATOM 409 C VAL A 26 -6.905 -5.580 -6.246 1.00 62.20 C ATOM 410 O VAL A 26 -7.188 -6.605 -5.628 1.00 61.53 O ATOM 411 CB VAL A 26 -5.544 -4.544 -4.352 1.00 75.01 C ATOM 412 CG1 VAL A 26 -4.160 -4.910 -4.890 1.00 61.03 C ATOM 413 CG2 VAL A 26 -5.469 -3.329 -3.425 1.00 70.20 C ATOM 0 H VAL A 26 -7.796 -3.622 -3.970 1.00 4.34 H new ATOM 0 HA VAL A 26 -6.029 -3.642 -6.205 1.00 64.13 H new ATOM 0 HB VAL A 26 -5.910 -5.389 -3.768 1.00 75.01 H new ATOM 0 HG11 VAL A 26 -3.478 -5.078 -4.056 1.00 61.03 H new ATOM 0 HG12 VAL A 26 -4.231 -5.818 -5.489 1.00 61.03 H new ATOM 0 HG13 VAL A 26 -3.783 -4.095 -5.508 1.00 61.03 H new ATOM 0 HG21 VAL A 26 -4.761 -3.528 -2.621 1.00 70.20 H new ATOM 0 HG22 VAL A 26 -5.139 -2.459 -3.992 1.00 70.20 H new ATOM 0 HG23 VAL A 26 -6.454 -3.133 -3.001 1.00 70.20 H new ATOM 423 N VAL A 27 -6.894 -5.479 -7.567 1.00 51.20 N ATOM 424 CA VAL A 27 -7.229 -6.616 -8.408 1.00 1.24 C ATOM 425 C VAL A 27 -6.060 -6.910 -9.350 1.00 4.14 C ATOM 426 O VAL A 27 -5.160 -6.086 -9.504 1.00 41.52 O ATOM 427 CB VAL A 27 -8.541 -6.351 -9.148 1.00 52.43 C ATOM 428 CG1 VAL A 27 -9.652 -5.960 -8.172 1.00 13.40 C ATOM 429 CG2 VAL A 27 -8.356 -5.280 -10.226 1.00 21.14 C ATOM 0 H VAL A 27 -6.658 -4.627 -8.076 1.00 51.20 H new ATOM 0 HA VAL A 27 -7.389 -7.507 -7.800 1.00 1.24 H new ATOM 0 HB VAL A 27 -8.839 -7.276 -9.642 1.00 52.43 H new ATOM 0 HG11 VAL A 27 -10.574 -5.777 -8.724 1.00 13.40 H new ATOM 0 HG12 VAL A 27 -9.811 -6.769 -7.459 1.00 13.40 H new ATOM 0 HG13 VAL A 27 -9.364 -5.055 -7.637 1.00 13.40 H new ATOM 0 HG21 VAL A 27 -9.304 -5.111 -10.737 1.00 21.14 H new ATOM 0 HG22 VAL A 27 -8.022 -4.351 -9.763 1.00 21.14 H new ATOM 0 HG23 VAL A 27 -7.610 -5.614 -10.947 1.00 21.14 H new ATOM 439 N SER A 28 -6.111 -8.087 -9.955 1.00 24.54 N ATOM 440 CA SER A 28 -5.067 -8.501 -10.877 1.00 41.42 C ATOM 441 C SER A 28 -5.688 -9.169 -12.105 1.00 74.40 C ATOM 442 O SER A 28 -6.527 -10.059 -11.974 1.00 33.33 O ATOM 443 CB SER A 28 -4.077 -9.450 -10.200 1.00 31.34 C ATOM 444 OG SER A 28 -2.785 -9.390 -10.798 1.00 30.53 O ATOM 0 H SER A 28 -6.859 -8.768 -9.825 1.00 24.54 H new ATOM 0 HA SER A 28 -4.519 -7.613 -11.192 1.00 41.42 H new ATOM 0 HB2 SER A 28 -3.999 -9.198 -9.142 1.00 31.34 H new ATOM 0 HB3 SER A 28 -4.456 -10.470 -10.257 1.00 31.34 H new ATOM 0 HG SER A 28 -2.182 -10.009 -10.336 1.00 30.53 H new ATOM 450 N PRO A 29 -5.241 -8.703 -13.302 1.00 12.13 N ATOM 451 CA PRO A 29 -4.246 -7.646 -13.368 1.00 61.54 C ATOM 452 C PRO A 29 -4.864 -6.288 -13.031 1.00 34.31 C ATOM 453 O PRO A 29 -6.084 -6.131 -13.066 1.00 62.54 O ATOM 454 CB PRO A 29 -3.695 -7.713 -14.784 1.00 35.44 C ATOM 455 CG PRO A 29 -4.721 -8.490 -15.594 1.00 13.54 C ATOM 456 CD PRO A 29 -5.670 -9.167 -14.618 1.00 25.11 C ATOM 0 HA PRO A 29 -3.448 -7.774 -12.637 1.00 61.54 H new ATOM 0 HB2 PRO A 29 -3.549 -6.714 -15.194 1.00 35.44 H new ATOM 0 HB3 PRO A 29 -2.725 -8.210 -14.803 1.00 35.44 H new ATOM 0 HG2 PRO A 29 -5.269 -7.821 -16.258 1.00 13.54 H new ATOM 0 HG3 PRO A 29 -4.229 -9.231 -16.224 1.00 13.54 H new ATOM 0 HD2 PRO A 29 -6.706 -8.891 -14.817 1.00 25.11 H new ATOM 0 HD3 PRO A 29 -5.609 -10.253 -14.695 1.00 25.11 H new ATOM 464 N THR A 30 -3.995 -5.341 -12.711 1.00 61.04 N ATOM 465 CA THR A 30 -4.440 -4.001 -12.368 1.00 33.30 C ATOM 466 C THR A 30 -4.777 -3.210 -13.634 1.00 31.54 C ATOM 467 O THR A 30 -4.122 -3.370 -14.662 1.00 72.45 O ATOM 468 CB THR A 30 -3.353 -3.346 -11.513 1.00 75.23 C ATOM 469 OG1 THR A 30 -2.134 -3.806 -12.090 1.00 32.54 O ATOM 470 CG2 THR A 30 -3.321 -3.895 -10.085 1.00 72.05 C ATOM 0 H THR A 30 -2.984 -5.475 -12.682 1.00 61.04 H new ATOM 0 HA THR A 30 -5.360 -4.027 -11.785 1.00 33.30 H new ATOM 0 HB THR A 30 -3.514 -2.268 -11.483 1.00 75.23 H new ATOM 0 HG1 THR A 30 -1.376 -3.428 -11.598 1.00 32.54 H new ATOM 0 HG21 THR A 30 -2.532 -3.397 -9.521 1.00 72.05 H new ATOM 0 HG22 THR A 30 -4.282 -3.713 -9.604 1.00 72.05 H new ATOM 0 HG23 THR A 30 -3.126 -4.967 -10.112 1.00 72.05 H new ATOM 478 N GLY A 31 -5.798 -2.374 -13.516 1.00 70.33 N ATOM 479 CA GLY A 31 -6.230 -1.558 -14.638 1.00 63.13 C ATOM 480 C GLY A 31 -6.193 -0.071 -14.281 1.00 13.14 C ATOM 481 O GLY A 31 -5.316 0.372 -13.541 1.00 43.03 O ATOM 0 H GLY A 31 -6.339 -2.244 -12.661 1.00 70.33 H new ATOM 0 HA2 GLY A 31 -5.586 -1.745 -15.498 1.00 63.13 H new ATOM 0 HA3 GLY A 31 -7.242 -1.841 -14.930 1.00 63.13 H new ATOM 485 N ILE A 32 -7.157 0.659 -14.822 1.00 53.01 N ATOM 486 CA ILE A 32 -7.246 2.087 -14.569 1.00 55.14 C ATOM 487 C ILE A 32 -6.951 2.359 -13.093 1.00 31.20 C ATOM 488 O ILE A 32 -7.424 1.635 -12.218 1.00 62.12 O ATOM 489 CB ILE A 32 -8.598 2.630 -15.036 1.00 55.42 C ATOM 490 CG1 ILE A 32 -8.591 2.900 -16.542 1.00 45.52 C ATOM 491 CG2 ILE A 32 -8.998 3.870 -14.234 1.00 2.35 C ATOM 492 CD1 ILE A 32 -10.015 2.939 -17.100 1.00 22.02 C ATOM 0 H ILE A 32 -7.883 0.288 -15.435 1.00 53.01 H new ATOM 0 HA ILE A 32 -6.495 2.624 -15.148 1.00 55.14 H new ATOM 0 HB ILE A 32 -9.354 1.868 -14.849 1.00 55.42 H new ATOM 0 HG12 ILE A 32 -8.092 3.848 -16.742 1.00 45.52 H new ATOM 0 HG13 ILE A 32 -8.018 2.125 -17.051 1.00 45.52 H new ATOM 0 HG21 ILE A 32 -9.963 4.236 -14.586 1.00 2.35 H new ATOM 0 HG22 ILE A 32 -9.072 3.612 -13.178 1.00 2.35 H new ATOM 0 HG23 ILE A 32 -8.245 4.647 -14.366 1.00 2.35 H new ATOM 0 HD11 ILE A 32 -9.980 3.133 -18.172 1.00 22.02 H new ATOM 0 HD12 ILE A 32 -10.503 1.981 -16.920 1.00 22.02 H new ATOM 0 HD13 ILE A 32 -10.578 3.731 -16.606 1.00 22.02 H new ATOM 504 N PRO A 33 -6.150 3.432 -12.855 1.00 70.21 N ATOM 505 CA PRO A 33 -5.786 3.808 -11.500 1.00 1.12 C ATOM 506 C PRO A 33 -6.959 4.481 -10.784 1.00 3.23 C ATOM 507 O PRO A 33 -7.726 5.219 -11.400 1.00 0.10 O ATOM 508 CB PRO A 33 -4.581 4.722 -11.655 1.00 54.04 C ATOM 509 CG PRO A 33 -4.601 5.195 -13.100 1.00 1.12 C ATOM 510 CD PRO A 33 -5.572 4.312 -13.866 1.00 62.04 C ATOM 0 HA PRO A 33 -5.539 2.948 -10.877 1.00 1.12 H new ATOM 0 HB2 PRO A 33 -4.639 5.565 -10.967 1.00 54.04 H new ATOM 0 HB3 PRO A 33 -3.656 4.191 -11.431 1.00 54.04 H new ATOM 0 HG2 PRO A 33 -4.909 6.239 -13.156 1.00 1.12 H new ATOM 0 HG3 PRO A 33 -3.604 5.133 -13.536 1.00 1.12 H new ATOM 0 HD2 PRO A 33 -6.341 4.905 -14.361 1.00 62.04 H new ATOM 0 HD3 PRO A 33 -5.061 3.742 -14.642 1.00 62.04 H new ATOM 518 N ALA A 34 -7.061 4.203 -9.492 1.00 65.35 N ATOM 519 CA ALA A 34 -8.127 4.772 -8.686 1.00 3.11 C ATOM 520 C ALA A 34 -8.019 6.298 -8.710 1.00 1.13 C ATOM 521 O ALA A 34 -8.987 6.997 -8.413 1.00 63.04 O ATOM 522 CB ALA A 34 -8.052 4.204 -7.267 1.00 54.40 C ATOM 0 H ALA A 34 -6.422 3.591 -8.984 1.00 65.35 H new ATOM 0 HA ALA A 34 -9.102 4.504 -9.093 1.00 3.11 H new ATOM 0 HB1 ALA A 34 -8.852 4.631 -6.662 1.00 54.40 H new ATOM 0 HB2 ALA A 34 -8.163 3.120 -7.303 1.00 54.40 H new ATOM 0 HB3 ALA A 34 -7.088 4.456 -6.825 1.00 54.40 H new ATOM 528 N GLU A 35 -6.833 6.770 -9.065 1.00 51.22 N ATOM 529 CA GLU A 35 -6.586 8.201 -9.132 1.00 32.54 C ATOM 530 C GLU A 35 -7.287 8.804 -10.351 1.00 3.04 C ATOM 531 O GLU A 35 -7.253 10.017 -10.553 1.00 32.10 O ATOM 532 CB GLU A 35 -5.086 8.497 -9.159 1.00 4.31 C ATOM 533 CG GLU A 35 -4.308 7.466 -8.338 1.00 42.35 C ATOM 534 CD GLU A 35 -3.184 8.134 -7.543 1.00 20.41 C ATOM 535 OE1 GLU A 35 -3.443 9.065 -6.767 1.00 3.25 O ATOM 536 OE2 GLU A 35 -2.006 7.651 -7.753 1.00 33.20 O ATOM 0 H GLU A 35 -6.032 6.187 -9.309 1.00 51.22 H new ATOM 0 HA GLU A 35 -6.998 8.664 -8.235 1.00 32.54 H new ATOM 0 HB2 GLU A 35 -4.729 8.491 -10.189 1.00 4.31 H new ATOM 0 HB3 GLU A 35 -4.902 9.496 -8.764 1.00 4.31 H new ATOM 0 HG2 GLU A 35 -4.986 6.953 -7.656 1.00 42.35 H new ATOM 0 HG3 GLU A 35 -3.889 6.709 -9.001 1.00 42.35 H new ATOM 544 N ASP A 36 -7.905 7.930 -11.131 1.00 61.10 N ATOM 545 CA ASP A 36 -8.612 8.361 -12.325 1.00 13.43 C ATOM 546 C ASP A 36 -10.119 8.221 -12.098 1.00 41.31 C ATOM 547 O ASP A 36 -10.910 8.421 -13.019 1.00 21.43 O ATOM 548 CB ASP A 36 -8.234 7.500 -13.531 1.00 25.10 C ATOM 549 CG ASP A 36 -6.762 7.577 -13.944 1.00 74.11 C ATOM 550 OD1 ASP A 36 -5.933 8.178 -13.245 1.00 32.21 O ATOM 551 OD2 ASP A 36 -6.475 6.979 -15.050 1.00 62.42 O ATOM 0 H ASP A 36 -7.931 6.925 -10.960 1.00 61.10 H new ATOM 0 HA ASP A 36 -8.339 9.397 -12.523 1.00 13.43 H new ATOM 0 HB2 ASP A 36 -8.480 6.462 -13.309 1.00 25.10 H new ATOM 0 HB3 ASP A 36 -8.850 7.799 -14.379 1.00 25.10 H new ATOM 557 N ILE A 37 -10.471 7.879 -10.867 1.00 44.53 N ATOM 558 CA ILE A 37 -11.868 7.710 -10.508 1.00 13.40 C ATOM 559 C ILE A 37 -12.651 8.958 -10.923 1.00 35.42 C ATOM 560 O ILE A 37 -13.694 8.854 -11.567 1.00 51.51 O ATOM 561 CB ILE A 37 -12.002 7.366 -9.023 1.00 60.23 C ATOM 562 CG1 ILE A 37 -12.056 5.851 -8.815 1.00 21.03 C ATOM 563 CG2 ILE A 37 -13.208 8.073 -8.403 1.00 15.12 C ATOM 564 CD1 ILE A 37 -12.726 5.504 -7.484 1.00 1.34 C ATOM 0 H ILE A 37 -9.812 7.714 -10.106 1.00 44.53 H new ATOM 0 HA ILE A 37 -12.301 6.867 -11.047 1.00 13.40 H new ATOM 0 HB ILE A 37 -11.115 7.731 -8.506 1.00 60.23 H new ATOM 0 HG12 ILE A 37 -12.605 5.387 -9.634 1.00 21.03 H new ATOM 0 HG13 ILE A 37 -11.046 5.441 -8.836 1.00 21.03 H new ATOM 0 HG21 ILE A 37 -13.280 7.811 -7.347 1.00 15.12 H new ATOM 0 HG22 ILE A 37 -13.088 9.152 -8.502 1.00 15.12 H new ATOM 0 HG23 ILE A 37 -14.117 7.760 -8.917 1.00 15.12 H new ATOM 0 HD11 ILE A 37 -12.752 4.421 -7.361 1.00 1.34 H new ATOM 0 HD12 ILE A 37 -12.161 5.949 -6.665 1.00 1.34 H new ATOM 0 HD13 ILE A 37 -13.744 5.894 -7.476 1.00 1.34 H new ATOM 576 N PRO A 38 -12.105 10.138 -10.526 1.00 63.11 N ATOM 577 CA PRO A 38 -12.741 11.404 -10.850 1.00 23.42 C ATOM 578 C PRO A 38 -12.531 11.762 -12.322 1.00 73.25 C ATOM 579 O PRO A 38 -13.030 12.782 -12.794 1.00 14.41 O ATOM 580 CB PRO A 38 -12.117 12.412 -9.899 1.00 22.13 C ATOM 581 CG PRO A 38 -10.830 11.774 -9.400 1.00 53.13 C ATOM 582 CD PRO A 38 -10.871 10.298 -9.762 1.00 11.31 C ATOM 0 HA PRO A 38 -13.823 11.375 -10.725 1.00 23.42 H new ATOM 0 HB2 PRO A 38 -11.914 13.355 -10.407 1.00 22.13 H new ATOM 0 HB3 PRO A 38 -12.789 12.635 -9.070 1.00 22.13 H new ATOM 0 HG2 PRO A 38 -9.964 12.255 -9.855 1.00 53.13 H new ATOM 0 HG3 PRO A 38 -10.734 11.900 -8.322 1.00 53.13 H new ATOM 0 HD2 PRO A 38 -10.000 10.010 -10.351 1.00 11.31 H new ATOM 0 HD3 PRO A 38 -10.873 9.671 -8.870 1.00 11.31 H new ATOM 590 N ARG A 39 -11.792 10.902 -13.008 1.00 74.12 N ATOM 591 CA ARG A 39 -11.511 11.115 -14.418 1.00 20.32 C ATOM 592 C ARG A 39 -12.481 10.305 -15.281 1.00 11.42 C ATOM 593 O ARG A 39 -12.951 10.787 -16.311 1.00 21.33 O ATOM 594 CB ARG A 39 -10.076 10.710 -14.760 1.00 4.40 C ATOM 595 CG ARG A 39 -9.067 11.595 -14.025 1.00 23.14 C ATOM 596 CD ARG A 39 -7.727 11.629 -14.763 1.00 52.41 C ATOM 597 NE ARG A 39 -7.408 10.286 -15.295 1.00 23.32 N ATOM 598 CZ ARG A 39 -6.576 10.061 -16.334 1.00 52.24 C ATOM 599 NH1 ARG A 39 -5.972 11.092 -16.964 1.00 34.42 N ATOM 600 NH2 ARG A 39 -6.362 8.819 -16.726 1.00 75.03 N ATOM 0 H ARG A 39 -11.379 10.057 -12.614 1.00 74.12 H new ATOM 0 HA ARG A 39 -11.636 12.178 -14.624 1.00 20.32 H new ATOM 0 HB2 ARG A 39 -9.915 9.666 -14.490 1.00 4.40 H new ATOM 0 HB3 ARG A 39 -9.919 10.789 -15.836 1.00 4.40 H new ATOM 0 HG2 ARG A 39 -9.463 12.607 -13.936 1.00 23.14 H new ATOM 0 HG3 ARG A 39 -8.919 11.220 -13.012 1.00 23.14 H new ATOM 0 HD2 ARG A 39 -7.770 12.351 -15.578 1.00 52.41 H new ATOM 0 HD3 ARG A 39 -6.938 11.958 -14.087 1.00 52.41 H new ATOM 0 HE ARG A 39 -7.844 9.479 -14.849 1.00 23.32 H new ATOM 0 HH11 ARG A 39 -6.143 12.049 -16.655 1.00 34.42 H new ATOM 0 HH12 ARG A 39 -5.345 10.913 -17.748 1.00 34.42 H new ATOM 0 HH21 ARG A 39 -6.823 8.046 -16.246 1.00 75.03 H new ATOM 0 HH22 ARG A 39 -5.736 8.632 -17.509 1.00 75.03 H new ATOM 613 N LEU A 40 -12.752 9.090 -14.829 1.00 32.21 N ATOM 614 CA LEU A 40 -13.658 8.209 -15.547 1.00 2.11 C ATOM 615 C LEU A 40 -15.084 8.753 -15.439 1.00 43.21 C ATOM 616 O LEU A 40 -15.919 8.491 -16.303 1.00 71.30 O ATOM 617 CB LEU A 40 -13.510 6.769 -15.052 1.00 1.15 C ATOM 618 CG LEU A 40 -12.260 6.023 -15.523 1.00 31.34 C ATOM 619 CD1 LEU A 40 -12.184 5.990 -17.050 1.00 74.13 C ATOM 620 CD2 LEU A 40 -10.997 6.620 -14.899 1.00 31.11 C ATOM 0 H LEU A 40 -12.360 8.694 -13.974 1.00 32.21 H new ATOM 0 HA LEU A 40 -13.405 8.185 -16.607 1.00 2.11 H new ATOM 0 HB2 LEU A 40 -13.514 6.778 -13.962 1.00 1.15 H new ATOM 0 HB3 LEU A 40 -14.387 6.205 -15.369 1.00 1.15 H new ATOM 0 HG LEU A 40 -12.330 4.990 -15.182 1.00 31.34 H new ATOM 0 HD11 LEU A 40 -11.286 5.454 -17.358 1.00 74.13 H new ATOM 0 HD12 LEU A 40 -13.063 5.483 -17.447 1.00 74.13 H new ATOM 0 HD13 LEU A 40 -12.148 7.009 -17.435 1.00 74.13 H new ATOM 0 HD21 LEU A 40 -10.123 6.071 -15.250 1.00 31.11 H new ATOM 0 HD22 LEU A 40 -10.908 7.667 -15.188 1.00 31.11 H new ATOM 0 HD23 LEU A 40 -11.058 6.547 -13.813 1.00 31.11 H new ATOM 632 N ILE A 41 -15.318 9.501 -14.371 1.00 53.21 N ATOM 633 CA ILE A 41 -16.629 10.085 -14.139 1.00 62.41 C ATOM 634 C ILE A 41 -17.029 10.928 -15.351 1.00 63.24 C ATOM 635 O ILE A 41 -16.245 11.747 -15.828 1.00 64.13 O ATOM 636 CB ILE A 41 -16.645 10.859 -12.819 1.00 63.54 C ATOM 637 CG1 ILE A 41 -16.312 9.941 -11.641 1.00 62.44 C ATOM 638 CG2 ILE A 41 -17.979 11.581 -12.624 1.00 11.23 C ATOM 639 CD1 ILE A 41 -17.576 9.562 -10.867 1.00 60.21 C ATOM 0 H ILE A 41 -14.623 9.716 -13.657 1.00 53.21 H new ATOM 0 HA ILE A 41 -17.381 9.303 -14.032 1.00 62.41 H new ATOM 0 HB ILE A 41 -15.868 11.623 -12.861 1.00 63.54 H new ATOM 0 HG12 ILE A 41 -15.821 9.039 -12.006 1.00 62.44 H new ATOM 0 HG13 ILE A 41 -15.609 10.440 -10.974 1.00 62.44 H new ATOM 0 HG21 ILE A 41 -17.964 12.123 -11.679 1.00 11.23 H new ATOM 0 HG22 ILE A 41 -18.136 12.283 -13.443 1.00 11.23 H new ATOM 0 HG23 ILE A 41 -18.789 10.852 -12.611 1.00 11.23 H new ATOM 0 HD11 ILE A 41 -17.311 8.909 -10.035 1.00 60.21 H new ATOM 0 HD12 ILE A 41 -18.052 10.464 -10.483 1.00 60.21 H new ATOM 0 HD13 ILE A 41 -18.267 9.042 -11.531 1.00 60.21 H new ATOM 651 N SER A 42 -18.248 10.698 -15.815 1.00 53.34 N ATOM 652 CA SER A 42 -18.762 11.427 -16.963 1.00 21.20 C ATOM 653 C SER A 42 -18.345 10.725 -18.257 1.00 50.33 C ATOM 654 O SER A 42 -18.879 11.019 -19.326 1.00 65.51 O ATOM 655 CB SER A 42 -18.269 12.875 -16.962 1.00 2.03 C ATOM 656 OG SER A 42 -19.148 13.739 -17.677 1.00 30.02 O ATOM 0 H SER A 42 -18.895 10.017 -15.417 1.00 53.34 H new ATOM 0 HA SER A 42 -19.850 11.443 -16.899 1.00 21.20 H new ATOM 0 HB2 SER A 42 -18.174 13.225 -15.934 1.00 2.03 H new ATOM 0 HB3 SER A 42 -17.275 12.920 -17.407 1.00 2.03 H new ATOM 0 HG SER A 42 -18.799 14.654 -17.652 1.00 30.02 H new ATOM 662 N MET A 43 -17.395 9.812 -18.118 1.00 53.12 N ATOM 663 CA MET A 43 -16.901 9.066 -19.263 1.00 44.41 C ATOM 664 C MET A 43 -17.548 7.682 -19.337 1.00 22.10 C ATOM 665 O MET A 43 -17.583 6.956 -18.345 1.00 30.41 O ATOM 666 CB MET A 43 -15.382 8.915 -19.157 1.00 1.24 C ATOM 667 CG MET A 43 -14.752 10.151 -18.511 1.00 1.01 C ATOM 668 SD MET A 43 -13.170 10.494 -19.264 1.00 13.10 S ATOM 669 CE MET A 43 -12.530 8.834 -19.409 1.00 44.42 C ATOM 0 H MET A 43 -16.954 9.572 -17.230 1.00 53.12 H new ATOM 0 HA MET A 43 -17.158 9.615 -20.169 1.00 44.41 H new ATOM 0 HB2 MET A 43 -15.141 8.030 -18.568 1.00 1.24 H new ATOM 0 HB3 MET A 43 -14.958 8.763 -20.150 1.00 1.24 H new ATOM 0 HG2 MET A 43 -15.413 11.010 -18.628 1.00 1.01 H new ATOM 0 HG3 MET A 43 -14.627 9.988 -17.441 1.00 1.01 H new ATOM 0 HE1 MET A 43 -11.496 8.811 -19.064 1.00 44.42 H new ATOM 0 HE2 MET A 43 -13.131 8.158 -18.801 1.00 44.42 H new ATOM 0 HE3 MET A 43 -12.571 8.518 -20.451 1.00 44.42 H new ATOM 679 N GLN A 44 -18.044 7.358 -20.522 1.00 42.21 N ATOM 680 CA GLN A 44 -18.688 6.074 -20.738 1.00 62.23 C ATOM 681 C GLN A 44 -17.640 4.994 -21.016 1.00 44.40 C ATOM 682 O GLN A 44 -16.453 5.294 -21.141 1.00 52.05 O ATOM 683 CB GLN A 44 -19.706 6.156 -21.878 1.00 24.43 C ATOM 684 CG GLN A 44 -20.675 7.320 -21.664 1.00 72.32 C ATOM 685 CD GLN A 44 -21.067 7.959 -22.998 1.00 64.01 C ATOM 686 OE1 GLN A 44 -20.975 9.160 -23.191 1.00 10.21 O ATOM 687 NE2 GLN A 44 -21.507 7.092 -23.905 1.00 64.53 N ATOM 0 H GLN A 44 -18.013 7.963 -21.343 1.00 42.21 H new ATOM 0 HA GLN A 44 -19.228 5.804 -19.831 1.00 62.23 H new ATOM 0 HB2 GLN A 44 -19.185 6.281 -22.827 1.00 24.43 H new ATOM 0 HB3 GLN A 44 -20.263 5.221 -21.941 1.00 24.43 H new ATOM 0 HG2 GLN A 44 -21.568 6.965 -21.150 1.00 72.32 H new ATOM 0 HG3 GLN A 44 -20.214 8.068 -21.020 1.00 72.32 H new ATOM 0 HE21 GLN A 44 -21.559 6.099 -23.678 1.00 64.53 H new ATOM 0 HE22 GLN A 44 -21.792 7.420 -24.828 1.00 64.53 H new ATOM 696 N VAL A 45 -18.115 3.761 -21.104 1.00 14.10 N ATOM 697 CA VAL A 45 -17.234 2.636 -21.365 1.00 30.45 C ATOM 698 C VAL A 45 -17.414 2.177 -22.813 1.00 51.10 C ATOM 699 O VAL A 45 -18.522 2.211 -23.345 1.00 75.23 O ATOM 700 CB VAL A 45 -17.493 1.522 -20.348 1.00 73.32 C ATOM 701 CG1 VAL A 45 -16.897 1.875 -18.984 1.00 35.31 C ATOM 702 CG2 VAL A 45 -18.989 1.222 -20.233 1.00 12.45 C ATOM 0 H VAL A 45 -19.100 3.516 -20.999 1.00 14.10 H new ATOM 0 HA VAL A 45 -16.192 2.932 -21.245 1.00 30.45 H new ATOM 0 HB VAL A 45 -16.997 0.620 -20.706 1.00 73.32 H new ATOM 0 HG11 VAL A 45 -17.095 1.067 -18.280 1.00 35.31 H new ATOM 0 HG12 VAL A 45 -15.820 2.015 -19.082 1.00 35.31 H new ATOM 0 HG13 VAL A 45 -17.350 2.796 -18.616 1.00 35.31 H new ATOM 0 HG21 VAL A 45 -19.146 0.427 -19.504 1.00 12.45 H new ATOM 0 HG22 VAL A 45 -19.516 2.120 -19.910 1.00 12.45 H new ATOM 0 HG23 VAL A 45 -19.372 0.905 -21.203 1.00 12.45 H new ATOM 712 N ASN A 46 -16.307 1.759 -23.410 1.00 15.13 N ATOM 713 CA ASN A 46 -16.329 1.294 -24.786 1.00 52.32 C ATOM 714 C ASN A 46 -16.513 -0.225 -24.804 1.00 45.43 C ATOM 715 O ASN A 46 -15.971 -0.909 -25.671 1.00 44.52 O ATOM 716 CB ASN A 46 -15.015 1.620 -25.498 1.00 50.44 C ATOM 717 CG ASN A 46 -13.827 0.980 -24.778 1.00 31.14 C ATOM 718 OD1 ASN A 46 -13.675 -0.230 -24.731 1.00 44.34 O ATOM 719 ND2 ASN A 46 -12.997 1.856 -24.219 1.00 62.02 N ATOM 0 H ASN A 46 -15.389 1.733 -22.966 1.00 15.13 H new ATOM 0 HA ASN A 46 -17.151 1.795 -25.298 1.00 52.32 H new ATOM 0 HB2 ASN A 46 -15.057 1.263 -26.527 1.00 50.44 H new ATOM 0 HB3 ASN A 46 -14.879 2.701 -25.541 1.00 50.44 H new ATOM 0 HD21 ASN A 46 -12.174 1.528 -23.713 1.00 62.02 H new ATOM 0 HD22 ASN A 46 -13.183 2.856 -24.296 1.00 62.02 H new ATOM 726 N GLN A 47 -17.278 -0.708 -23.837 1.00 53.41 N ATOM 727 CA GLN A 47 -17.540 -2.133 -23.731 1.00 21.01 C ATOM 728 C GLN A 47 -18.360 -2.430 -22.474 1.00 24.14 C ATOM 729 O GLN A 47 -18.268 -1.706 -21.483 1.00 71.33 O ATOM 730 CB GLN A 47 -16.235 -2.932 -23.736 1.00 50.21 C ATOM 731 CG GLN A 47 -16.486 -4.394 -23.362 1.00 62.13 C ATOM 732 CD GLN A 47 -15.167 -5.150 -23.192 1.00 23.40 C ATOM 733 OE1 GLN A 47 -14.916 -6.164 -23.824 1.00 13.24 O ATOM 734 NE2 GLN A 47 -14.340 -4.603 -22.306 1.00 23.02 N ATOM 0 H GLN A 47 -17.725 -0.138 -23.119 1.00 53.41 H new ATOM 0 HA GLN A 47 -18.120 -2.442 -24.601 1.00 21.01 H new ATOM 0 HB2 GLN A 47 -15.776 -2.879 -24.723 1.00 50.21 H new ATOM 0 HB3 GLN A 47 -15.530 -2.489 -23.032 1.00 50.21 H new ATOM 0 HG2 GLN A 47 -17.059 -4.443 -22.436 1.00 62.13 H new ATOM 0 HG3 GLN A 47 -17.087 -4.873 -24.135 1.00 62.13 H new ATOM 0 HE21 GLN A 47 -14.612 -3.753 -21.811 1.00 23.02 H new ATOM 0 HE22 GLN A 47 -13.434 -5.033 -22.121 1.00 23.02 H new ATOM 743 N VAL A 48 -19.142 -3.496 -22.554 1.00 72.13 N ATOM 744 CA VAL A 48 -19.977 -3.898 -21.435 1.00 54.22 C ATOM 745 C VAL A 48 -19.089 -4.405 -20.298 1.00 21.53 C ATOM 746 O VAL A 48 -18.588 -5.528 -20.350 1.00 14.11 O ATOM 747 CB VAL A 48 -21.008 -4.931 -21.896 1.00 1.14 C ATOM 748 CG1 VAL A 48 -21.483 -5.791 -20.723 1.00 71.21 C ATOM 749 CG2 VAL A 48 -22.189 -4.254 -22.593 1.00 52.42 C ATOM 0 H VAL A 48 -19.215 -4.094 -23.377 1.00 72.13 H new ATOM 0 HA VAL A 48 -20.539 -3.046 -21.052 1.00 54.22 H new ATOM 0 HB VAL A 48 -20.525 -5.588 -22.619 1.00 1.14 H new ATOM 0 HG11 VAL A 48 -22.215 -6.517 -21.077 1.00 71.21 H new ATOM 0 HG12 VAL A 48 -20.632 -6.316 -20.289 1.00 71.21 H new ATOM 0 HG13 VAL A 48 -21.941 -5.154 -19.966 1.00 71.21 H new ATOM 0 HG21 VAL A 48 -22.907 -5.011 -22.910 1.00 52.42 H new ATOM 0 HG22 VAL A 48 -22.672 -3.563 -21.902 1.00 52.42 H new ATOM 0 HG23 VAL A 48 -21.831 -3.705 -23.464 1.00 52.42 H new ATOM 759 N VAL A 49 -18.920 -3.554 -19.296 1.00 72.45 N ATOM 760 CA VAL A 49 -18.101 -3.903 -18.148 1.00 42.32 C ATOM 761 C VAL A 49 -19.008 -4.255 -16.968 1.00 12.34 C ATOM 762 O VAL A 49 -19.620 -3.373 -16.366 1.00 24.44 O ATOM 763 CB VAL A 49 -17.127 -2.764 -17.835 1.00 74.53 C ATOM 764 CG1 VAL A 49 -16.057 -3.217 -16.841 1.00 4.34 C ATOM 765 CG2 VAL A 49 -16.491 -2.220 -19.116 1.00 14.53 C ATOM 0 H VAL A 49 -19.336 -2.624 -19.256 1.00 72.45 H new ATOM 0 HA VAL A 49 -17.494 -4.782 -18.365 1.00 42.32 H new ATOM 0 HB VAL A 49 -17.693 -1.955 -17.373 1.00 74.53 H new ATOM 0 HG11 VAL A 49 -15.378 -2.390 -16.635 1.00 4.34 H new ATOM 0 HG12 VAL A 49 -16.533 -3.535 -15.913 1.00 4.34 H new ATOM 0 HG13 VAL A 49 -15.496 -4.050 -17.265 1.00 4.34 H new ATOM 0 HG21 VAL A 49 -15.803 -1.412 -18.866 1.00 14.53 H new ATOM 0 HG22 VAL A 49 -15.945 -3.018 -19.619 1.00 14.53 H new ATOM 0 HG23 VAL A 49 -17.271 -1.841 -19.777 1.00 14.53 H new ATOM 775 N PRO A 50 -19.069 -5.579 -16.664 1.00 44.01 N ATOM 776 CA PRO A 50 -19.891 -6.058 -15.566 1.00 70.44 C ATOM 777 C PRO A 50 -19.242 -5.743 -14.217 1.00 34.31 C ATOM 778 O PRO A 50 -18.047 -5.462 -14.149 1.00 61.03 O ATOM 779 CB PRO A 50 -20.049 -7.549 -15.816 1.00 34.55 C ATOM 780 CG PRO A 50 -18.935 -7.932 -16.775 1.00 63.45 C ATOM 781 CD PRO A 50 -18.358 -6.651 -17.355 1.00 72.02 C ATOM 0 HA PRO A 50 -20.864 -5.569 -15.524 1.00 70.44 H new ATOM 0 HB2 PRO A 50 -19.973 -8.111 -14.885 1.00 34.55 H new ATOM 0 HB3 PRO A 50 -21.026 -7.772 -16.244 1.00 34.55 H new ATOM 0 HG2 PRO A 50 -18.162 -8.498 -16.255 1.00 63.45 H new ATOM 0 HG3 PRO A 50 -19.319 -8.572 -17.570 1.00 63.45 H new ATOM 0 HD2 PRO A 50 -17.283 -6.588 -17.184 1.00 72.02 H new ATOM 0 HD3 PRO A 50 -18.513 -6.599 -18.433 1.00 72.02 H new ATOM 789 N MET A 51 -20.060 -5.801 -13.176 1.00 2.02 N ATOM 790 CA MET A 51 -19.581 -5.525 -11.832 1.00 24.30 C ATOM 791 C MET A 51 -18.505 -6.531 -11.417 1.00 3.35 C ATOM 792 O MET A 51 -18.586 -7.709 -11.758 1.00 74.51 O ATOM 793 CB MET A 51 -20.751 -5.594 -10.849 1.00 3.04 C ATOM 794 CG MET A 51 -20.285 -5.302 -9.421 1.00 24.13 C ATOM 795 SD MET A 51 -21.440 -5.992 -8.248 1.00 72.13 S ATOM 796 CE MET A 51 -22.924 -5.124 -8.728 1.00 73.45 C ATOM 0 H MET A 51 -21.051 -6.035 -13.236 1.00 2.02 H new ATOM 0 HA MET A 51 -19.143 -4.527 -11.820 1.00 24.30 H new ATOM 0 HB2 MET A 51 -21.517 -4.875 -11.139 1.00 3.04 H new ATOM 0 HB3 MET A 51 -21.208 -6.583 -10.891 1.00 3.04 H new ATOM 0 HG2 MET A 51 -19.294 -5.725 -9.260 1.00 24.13 H new ATOM 0 HG3 MET A 51 -20.200 -4.226 -9.270 1.00 24.13 H new ATOM 0 HE1 MET A 51 -23.777 -5.538 -8.191 1.00 73.45 H new ATOM 0 HE2 MET A 51 -22.821 -4.066 -8.486 1.00 73.45 H new ATOM 0 HE3 MET A 51 -23.081 -5.237 -9.801 1.00 73.45 H new ATOM 806 N GLY A 52 -17.521 -6.028 -10.685 1.00 41.24 N ATOM 807 CA GLY A 52 -16.430 -6.867 -10.220 1.00 20.13 C ATOM 808 C GLY A 52 -15.327 -6.969 -11.275 1.00 50.53 C ATOM 809 O GLY A 52 -14.248 -7.492 -11.002 1.00 70.34 O ATOM 0 H GLY A 52 -17.457 -5.050 -10.403 1.00 41.24 H new ATOM 0 HA2 GLY A 52 -16.019 -6.457 -9.298 1.00 20.13 H new ATOM 0 HA3 GLY A 52 -16.807 -7.863 -9.986 1.00 20.13 H new ATOM 813 N THR A 53 -15.636 -6.459 -12.459 1.00 30.13 N ATOM 814 CA THR A 53 -14.684 -6.486 -13.556 1.00 55.25 C ATOM 815 C THR A 53 -13.787 -5.247 -13.515 1.00 34.23 C ATOM 816 O THR A 53 -14.268 -4.123 -13.651 1.00 31.25 O ATOM 817 CB THR A 53 -15.472 -6.622 -14.861 1.00 63.22 C ATOM 818 OG1 THR A 53 -16.259 -7.795 -14.671 1.00 3.21 O ATOM 819 CG2 THR A 53 -14.575 -6.964 -16.053 1.00 32.50 C ATOM 0 H THR A 53 -16.532 -6.025 -12.682 1.00 30.13 H new ATOM 0 HA THR A 53 -14.010 -7.339 -13.474 1.00 55.25 H new ATOM 0 HB THR A 53 -16.005 -5.693 -15.062 1.00 63.22 H new ATOM 0 HG1 THR A 53 -17.162 -7.541 -14.389 1.00 3.21 H new ATOM 0 HG21 THR A 53 -15.183 -7.049 -16.953 1.00 32.50 H new ATOM 0 HG22 THR A 53 -13.834 -6.176 -16.189 1.00 32.50 H new ATOM 0 HG23 THR A 53 -14.068 -7.911 -15.867 1.00 32.50 H new ATOM 827 N THR A 54 -12.500 -5.495 -13.326 1.00 45.23 N ATOM 828 CA THR A 54 -11.531 -4.414 -13.265 1.00 3.40 C ATOM 829 C THR A 54 -11.710 -3.468 -14.455 1.00 33.54 C ATOM 830 O THR A 54 -12.031 -3.908 -15.558 1.00 11.51 O ATOM 831 CB THR A 54 -10.134 -5.034 -13.187 1.00 53.12 C ATOM 832 OG1 THR A 54 -10.188 -5.867 -12.032 1.00 52.32 O ATOM 833 CG2 THR A 54 -9.054 -4.004 -12.854 1.00 5.45 C ATOM 0 H THR A 54 -12.105 -6.429 -13.213 1.00 45.23 H new ATOM 0 HA THR A 54 -11.680 -3.800 -12.377 1.00 3.40 H new ATOM 0 HB THR A 54 -9.897 -5.514 -14.136 1.00 53.12 H new ATOM 0 HG1 THR A 54 -10.875 -5.532 -11.419 1.00 52.32 H new ATOM 0 HG21 THR A 54 -8.083 -4.496 -12.811 1.00 5.45 H new ATOM 0 HG22 THR A 54 -9.036 -3.233 -13.625 1.00 5.45 H new ATOM 0 HG23 THR A 54 -9.272 -3.547 -11.889 1.00 5.45 H new ATOM 841 N LEU A 55 -11.496 -2.188 -14.190 1.00 23.22 N ATOM 842 CA LEU A 55 -11.630 -1.177 -15.225 1.00 21.22 C ATOM 843 C LEU A 55 -10.274 -0.963 -15.901 1.00 74.25 C ATOM 844 O LEU A 55 -9.245 -0.898 -15.231 1.00 33.10 O ATOM 845 CB LEU A 55 -12.238 0.103 -14.648 1.00 31.31 C ATOM 846 CG LEU A 55 -13.010 0.982 -15.634 1.00 33.13 C ATOM 847 CD1 LEU A 55 -13.940 0.139 -16.508 1.00 70.44 C ATOM 848 CD2 LEU A 55 -13.764 2.094 -14.902 1.00 53.21 C ATOM 0 H LEU A 55 -11.231 -1.828 -13.273 1.00 23.22 H new ATOM 0 HA LEU A 55 -12.323 -1.512 -15.997 1.00 21.22 H new ATOM 0 HB2 LEU A 55 -12.909 -0.172 -13.834 1.00 31.31 H new ATOM 0 HB3 LEU A 55 -11.436 0.698 -14.212 1.00 31.31 H new ATOM 0 HG LEU A 55 -12.292 1.462 -16.298 1.00 33.13 H new ATOM 0 HD11 LEU A 55 -14.477 0.788 -17.200 1.00 70.44 H new ATOM 0 HD12 LEU A 55 -13.352 -0.585 -17.072 1.00 70.44 H new ATOM 0 HD13 LEU A 55 -14.655 -0.388 -15.876 1.00 70.44 H new ATOM 0 HD21 LEU A 55 -14.304 2.704 -15.625 1.00 53.21 H new ATOM 0 HD22 LEU A 55 -14.471 1.653 -14.199 1.00 53.21 H new ATOM 0 HD23 LEU A 55 -13.054 2.718 -14.359 1.00 53.21 H new ATOM 860 N MET A 56 -10.318 -0.860 -17.222 1.00 2.34 N ATOM 861 CA MET A 56 -9.106 -0.654 -17.996 1.00 62.54 C ATOM 862 C MET A 56 -9.165 0.665 -18.768 1.00 53.32 C ATOM 863 O MET A 56 -10.248 1.192 -19.022 1.00 25.11 O ATOM 864 CB MET A 56 -8.926 -1.813 -18.979 1.00 63.12 C ATOM 865 CG MET A 56 -8.727 -3.136 -18.237 1.00 34.13 C ATOM 866 SD MET A 56 -6.991 -3.404 -17.920 1.00 34.21 S ATOM 867 CE MET A 56 -7.072 -4.004 -16.241 1.00 3.25 C ATOM 0 H MET A 56 -11.173 -0.915 -17.775 1.00 2.34 H new ATOM 0 HA MET A 56 -8.261 -0.613 -17.309 1.00 62.54 H new ATOM 0 HB2 MET A 56 -9.799 -1.883 -19.627 1.00 63.12 H new ATOM 0 HB3 MET A 56 -8.067 -1.620 -19.621 1.00 63.12 H new ATOM 0 HG2 MET A 56 -9.279 -3.122 -17.297 1.00 34.13 H new ATOM 0 HG3 MET A 56 -9.128 -3.958 -18.829 1.00 34.13 H new ATOM 0 HE1 MET A 56 -6.089 -3.920 -15.777 1.00 3.25 H new ATOM 0 HE2 MET A 56 -7.792 -3.411 -15.677 1.00 3.25 H new ATOM 0 HE3 MET A 56 -7.384 -5.048 -16.242 1.00 3.25 H new ATOM 877 N PRO A 57 -7.957 1.175 -19.129 1.00 72.03 N ATOM 878 CA PRO A 57 -7.862 2.423 -19.867 1.00 3.11 C ATOM 879 C PRO A 57 -8.255 2.226 -21.332 1.00 72.43 C ATOM 880 O PRO A 57 -8.390 3.194 -22.079 1.00 5.04 O ATOM 881 CB PRO A 57 -6.420 2.873 -19.694 1.00 71.24 C ATOM 882 CG PRO A 57 -5.647 1.637 -19.262 1.00 40.34 C ATOM 883 CD PRO A 57 -6.655 0.579 -18.846 1.00 30.31 C ATOM 0 HA PRO A 57 -8.550 3.183 -19.498 1.00 3.11 H new ATOM 0 HB2 PRO A 57 -6.022 3.277 -20.625 1.00 71.24 H new ATOM 0 HB3 PRO A 57 -6.344 3.662 -18.946 1.00 71.24 H new ATOM 0 HG2 PRO A 57 -5.025 1.271 -20.079 1.00 40.34 H new ATOM 0 HG3 PRO A 57 -4.979 1.874 -18.434 1.00 40.34 H new ATOM 0 HD2 PRO A 57 -6.513 -0.345 -19.406 1.00 30.31 H new ATOM 0 HD3 PRO A 57 -6.555 0.330 -17.789 1.00 30.31 H new ATOM 891 N ASP A 58 -8.429 0.965 -21.700 1.00 70.32 N ATOM 892 CA ASP A 58 -8.805 0.628 -23.063 1.00 24.22 C ATOM 893 C ASP A 58 -10.298 0.297 -23.109 1.00 2.42 C ATOM 894 O ASP A 58 -10.835 -0.017 -24.170 1.00 13.14 O ATOM 895 CB ASP A 58 -8.034 -0.597 -23.560 1.00 1.13 C ATOM 896 CG ASP A 58 -7.486 -1.507 -22.458 1.00 42.44 C ATOM 897 OD1 ASP A 58 -6.564 -1.130 -21.719 1.00 61.53 O ATOM 898 OD2 ASP A 58 -8.053 -2.662 -22.373 1.00 62.23 O ATOM 0 H ASP A 58 -8.317 0.164 -21.078 1.00 70.32 H new ATOM 0 HA ASP A 58 -8.573 1.483 -23.698 1.00 24.22 H new ATOM 0 HB2 ASP A 58 -8.690 -1.184 -24.203 1.00 1.13 H new ATOM 0 HB3 ASP A 58 -7.202 -0.258 -24.178 1.00 1.13 H new ATOM 904 N MET A 59 -10.926 0.380 -21.945 1.00 64.20 N ATOM 905 CA MET A 59 -12.346 0.094 -21.839 1.00 72.51 C ATOM 906 C MET A 59 -13.144 1.370 -21.568 1.00 12.54 C ATOM 907 O MET A 59 -14.329 1.309 -21.243 1.00 50.11 O ATOM 908 CB MET A 59 -12.582 -0.907 -20.706 1.00 14.12 C ATOM 909 CG MET A 59 -12.142 -2.314 -21.116 1.00 13.31 C ATOM 910 SD MET A 59 -12.846 -3.521 -20.006 1.00 74.40 S ATOM 911 CE MET A 59 -12.409 -2.792 -18.437 1.00 14.14 C ATOM 0 H MET A 59 -10.477 0.641 -21.067 1.00 64.20 H new ATOM 0 HA MET A 59 -12.684 -0.329 -22.785 1.00 72.51 H new ATOM 0 HB2 MET A 59 -12.031 -0.594 -19.819 1.00 14.12 H new ATOM 0 HB3 MET A 59 -13.639 -0.916 -20.438 1.00 14.12 H new ATOM 0 HG2 MET A 59 -12.459 -2.520 -22.138 1.00 13.31 H new ATOM 0 HG3 MET A 59 -11.054 -2.383 -21.099 1.00 13.31 H new ATOM 0 HE1 MET A 59 -13.108 -3.130 -17.672 1.00 14.14 H new ATOM 0 HE2 MET A 59 -11.398 -3.094 -18.164 1.00 14.14 H new ATOM 0 HE3 MET A 59 -12.454 -1.706 -18.515 1.00 14.14 H new ATOM 921 N VAL A 60 -12.463 2.498 -21.711 1.00 24.45 N ATOM 922 CA VAL A 60 -13.093 3.787 -21.485 1.00 11.22 C ATOM 923 C VAL A 60 -12.925 4.658 -22.732 1.00 22.42 C ATOM 924 O VAL A 60 -11.840 4.720 -23.308 1.00 22.31 O ATOM 925 CB VAL A 60 -12.522 4.435 -20.222 1.00 2.11 C ATOM 926 CG1 VAL A 60 -13.099 5.837 -20.016 1.00 33.34 C ATOM 927 CG2 VAL A 60 -12.767 3.555 -18.995 1.00 34.41 C ATOM 0 H VAL A 60 -11.480 2.545 -21.981 1.00 24.45 H new ATOM 0 HA VAL A 60 -14.163 3.664 -21.316 1.00 11.22 H new ATOM 0 HB VAL A 60 -11.444 4.533 -20.354 1.00 2.11 H new ATOM 0 HG11 VAL A 60 -12.677 6.275 -19.112 1.00 33.34 H new ATOM 0 HG12 VAL A 60 -12.849 6.463 -20.873 1.00 33.34 H new ATOM 0 HG13 VAL A 60 -14.183 5.773 -19.917 1.00 33.34 H new ATOM 0 HG21 VAL A 60 -12.351 4.039 -18.111 1.00 34.41 H new ATOM 0 HG22 VAL A 60 -13.839 3.410 -18.859 1.00 34.41 H new ATOM 0 HG23 VAL A 60 -12.286 2.588 -19.139 1.00 34.41 H new ATOM 937 N LYS A 61 -14.015 5.308 -23.112 1.00 4.12 N ATOM 938 CA LYS A 61 -14.001 6.172 -24.280 1.00 13.20 C ATOM 939 C LYS A 61 -13.579 7.582 -23.861 1.00 60.13 C ATOM 940 O LYS A 61 -13.836 8.002 -22.734 1.00 74.12 O ATOM 941 CB LYS A 61 -15.351 6.122 -24.999 1.00 11.44 C ATOM 942 CG LYS A 61 -16.150 4.887 -24.580 1.00 20.51 C ATOM 943 CD LYS A 61 -17.050 4.404 -25.719 1.00 31.30 C ATOM 944 CE LYS A 61 -18.464 4.110 -25.214 1.00 11.43 C ATOM 945 NZ LYS A 61 -19.447 4.993 -25.882 1.00 23.41 N ATOM 0 H LYS A 61 -14.913 5.254 -22.632 1.00 4.12 H new ATOM 0 HA LYS A 61 -13.266 5.821 -25.005 1.00 13.20 H new ATOM 0 HB2 LYS A 61 -15.921 7.023 -24.772 1.00 11.44 H new ATOM 0 HB3 LYS A 61 -15.192 6.108 -26.077 1.00 11.44 H new ATOM 0 HG2 LYS A 61 -15.467 4.089 -24.288 1.00 20.51 H new ATOM 0 HG3 LYS A 61 -16.758 5.122 -23.706 1.00 20.51 H new ATOM 0 HD2 LYS A 61 -17.090 5.161 -26.502 1.00 31.30 H new ATOM 0 HD3 LYS A 61 -16.626 3.505 -26.166 1.00 31.30 H new ATOM 0 HE2 LYS A 61 -18.715 3.067 -25.405 1.00 11.43 H new ATOM 0 HE3 LYS A 61 -18.509 4.257 -24.135 1.00 11.43 H new ATOM 0 HZ1 LYS A 61 -20.285 5.101 -25.275 1.00 23.41 H new ATOM 0 HZ2 LYS A 61 -19.018 5.926 -26.050 1.00 23.41 H new ATOM 0 HZ3 LYS A 61 -19.729 4.573 -26.791 1.00 23.41 H new ATOM 958 N GLY A 62 -12.938 8.274 -24.792 1.00 24.34 N ATOM 959 CA GLY A 62 -12.477 9.627 -24.533 1.00 52.53 C ATOM 960 C GLY A 62 -11.503 9.660 -23.354 1.00 32.32 C ATOM 961 O GLY A 62 -11.213 10.726 -22.813 1.00 22.41 O ATOM 0 H GLY A 62 -12.727 7.923 -25.726 1.00 24.34 H new ATOM 0 HA2 GLY A 62 -11.989 10.025 -25.423 1.00 52.53 H new ATOM 0 HA3 GLY A 62 -13.330 10.271 -24.322 1.00 52.53 H new ATOM 965 N TYR A 63 -11.026 8.479 -22.990 1.00 24.24 N ATOM 966 CA TYR A 63 -10.090 8.358 -21.884 1.00 54.31 C ATOM 967 C TYR A 63 -8.668 8.707 -22.328 1.00 73.34 C ATOM 968 O TYR A 63 -8.423 8.938 -23.511 1.00 40.42 O ATOM 969 CB TYR A 63 -10.132 6.891 -21.454 1.00 74.53 C ATOM 970 CG TYR A 63 -9.150 6.542 -20.335 1.00 22.34 C ATOM 971 CD1 TYR A 63 -7.871 6.124 -20.644 1.00 12.43 C ATOM 972 CD2 TYR A 63 -9.542 6.644 -19.015 1.00 52.33 C ATOM 973 CE1 TYR A 63 -6.946 5.796 -19.590 1.00 14.11 C ATOM 974 CE2 TYR A 63 -8.617 6.316 -17.961 1.00 74.15 C ATOM 975 CZ TYR A 63 -7.365 5.908 -18.301 1.00 32.02 C ATOM 976 OH TYR A 63 -6.492 5.598 -17.306 1.00 22.15 O ATOM 0 H TYR A 63 -11.270 7.597 -23.441 1.00 24.24 H new ATOM 0 HA TYR A 63 -10.361 9.038 -21.076 1.00 54.31 H new ATOM 0 HB2 TYR A 63 -11.143 6.648 -21.125 1.00 74.53 H new ATOM 0 HB3 TYR A 63 -9.919 6.263 -22.319 1.00 74.53 H new ATOM 0 HD1 TYR A 63 -7.564 6.043 -21.676 1.00 12.43 H new ATOM 0 HD2 TYR A 63 -10.543 6.970 -18.773 1.00 52.33 H new ATOM 0 HE1 TYR A 63 -5.942 5.469 -19.818 1.00 14.11 H new ATOM 0 HE2 TYR A 63 -8.911 6.392 -16.925 1.00 74.15 H new ATOM 0 HH TYR A 63 -6.838 5.931 -16.452 1.00 22.15 H new ATOM 986 N ALA A 64 -7.769 8.733 -21.356 1.00 65.23 N ATOM 987 CA ALA A 64 -6.377 9.049 -21.632 1.00 54.03 C ATOM 988 C ALA A 64 -5.608 9.141 -20.313 1.00 32.40 C ATOM 989 O ALA A 64 -6.205 9.324 -19.253 1.00 54.25 O ATOM 990 CB ALA A 64 -6.299 10.344 -22.444 1.00 34.22 C ATOM 0 H ALA A 64 -7.977 8.541 -20.376 1.00 65.23 H new ATOM 0 HA ALA A 64 -5.916 8.262 -22.228 1.00 54.03 H new ATOM 0 HB1 ALA A 64 -5.255 10.581 -22.651 1.00 34.22 H new ATOM 0 HB2 ALA A 64 -6.836 10.217 -23.384 1.00 34.22 H new ATOM 0 HB3 ALA A 64 -6.750 11.157 -21.876 1.00 34.22 H new ATOM 996 N PRO A 65 -4.259 9.005 -20.423 1.00 75.04 N ATOM 997 CA PRO A 65 -3.402 9.071 -19.252 1.00 73.50 C ATOM 998 C PRO A 65 -3.252 10.512 -18.762 1.00 50.35 C ATOM 999 O PRO A 65 -4.047 11.379 -19.121 1.00 15.43 O ATOM 1000 CB PRO A 65 -2.086 8.453 -19.693 1.00 64.40 C ATOM 1001 CG PRO A 65 -2.096 8.489 -21.213 1.00 33.14 C ATOM 1002 CD PRO A 65 -3.518 8.786 -21.662 1.00 4.43 C ATOM 0 HA PRO A 65 -3.814 8.532 -18.399 1.00 73.50 H new ATOM 0 HB2 PRO A 65 -1.239 9.012 -19.295 1.00 64.40 H new ATOM 0 HB3 PRO A 65 -1.993 7.430 -19.327 1.00 64.40 H new ATOM 0 HG2 PRO A 65 -1.412 9.253 -21.581 1.00 33.14 H new ATOM 0 HG3 PRO A 65 -1.758 7.536 -21.620 1.00 33.14 H new ATOM 0 HD2 PRO A 65 -3.555 9.665 -22.306 1.00 4.43 H new ATOM 0 HD3 PRO A 65 -3.935 7.956 -22.232 1.00 4.43 H new