USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 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 95 GLN :FLIP amide:sc= -1.91! C(o=-1.9!,f=-1.4!) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= 0.545 F(o=-1.9,f=-1.4) USER MOD Set 2.1: A 75 MET CE :methyl -177:sc= -2.48 (180deg=-2.11) USER MOD Set 2.2: A 122 TYR OH : rot -110:sc= -1.98 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 171:sc= -0.514 USER MOD Single : A 30 CYS SG : rot 49:sc= -0.466 USER MOD Single : A 31 THR OG1 : rot 119:sc= 0.229 USER MOD Single : A 32 THR OG1 : rot -106:sc= -0.407 USER MOD Single : A 35 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.4!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= -0.35 (180deg=-1.52) USER MOD Single : A 47 THR OG1 : rot -59:sc= -0.413 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.61! C(o=-5.6!,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= -0.299 (180deg=-2.5!) USER MOD Single : A 71 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.92) USER MOD Single : A 73 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-4.3!) USER MOD Single : A 81 MET CE :methyl -132:sc= -4.99 (180deg=-11.2!) USER MOD Single : A 82 THR OG1 : rot 143:sc= 0.525 USER MOD Single : A 84 HIS :FLIP no HE2:sc= -3.68! F(o=-4.4,f=-3.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 94:sc= -2.96! USER MOD Single : A 101 TYR OH : rot 58:sc= -3.17! USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= 1.7 (180deg=-0.129) USER MOD Single : A 120 SER OG : rot 92:sc= 1.23 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.504 -3.507 -1.798 1.00 0.44 N ATOM 36 CA ARG A 3 4.945 -3.511 -2.022 1.00 75.42 C ATOM 37 C ARG A 3 5.537 -4.885 -1.723 1.00 72.52 C ATOM 38 O ARG A 3 6.627 -5.217 -2.188 1.00 33.35 O ATOM 39 CB ARG A 3 5.621 -2.452 -1.151 1.00 5.23 C ATOM 40 CG ARG A 3 5.245 -2.541 0.319 1.00 21.02 C ATOM 41 CD ARG A 3 6.198 -3.446 1.084 1.00 33.43 C ATOM 42 NE ARG A 3 7.578 -2.974 1.012 1.00 31.24 N ATOM 43 CZ ARG A 3 8.055 -1.983 1.757 1.00 23.32 C ATOM 44 NH1 ARG A 3 7.268 -1.364 2.626 1.00 40.43 N ATOM 45 NH2 ARG A 3 9.323 -1.611 1.634 1.00 11.35 N ATOM 0 HA ARG A 3 5.125 -3.277 -3.071 1.00 75.42 H new ATOM 0 HB2 ARG A 3 6.702 -2.551 -1.247 1.00 5.23 H new ATOM 0 HB3 ARG A 3 5.357 -1.463 -1.526 1.00 5.23 H new ATOM 0 HG2 ARG A 3 5.256 -1.544 0.759 1.00 21.02 H new ATOM 0 HG3 ARG A 3 4.227 -2.920 0.413 1.00 21.02 H new ATOM 0 HD2 ARG A 3 5.887 -3.500 2.127 1.00 33.43 H new ATOM 0 HD3 ARG A 3 6.139 -4.457 0.681 1.00 33.43 H new ATOM 0 HE ARG A 3 8.210 -3.430 0.354 1.00 31.24 H new ATOM 0 HH11 ARG A 3 6.293 -1.648 2.724 1.00 40.43 H new ATOM 0 HH12 ARG A 3 7.637 -0.603 3.197 1.00 40.43 H new ATOM 0 HH21 ARG A 3 9.931 -2.086 0.967 1.00 11.35 H new ATOM 0 HH22 ARG A 3 9.689 -0.850 2.206 1.00 11.35 H new ATOM 59 N GLY A 4 4.810 -5.681 -0.944 1.00 3.23 N ATOM 60 CA GLY A 4 5.280 -7.009 -0.596 1.00 1.05 C ATOM 61 C GLY A 4 4.155 -7.925 -0.157 1.00 22.40 C ATOM 62 O GLY A 4 3.707 -7.865 0.988 1.00 1.44 O ATOM 0 H GLY A 4 3.904 -5.430 -0.548 1.00 3.23 H new ATOM 0 HA2 GLY A 4 5.788 -7.448 -1.455 1.00 1.05 H new ATOM 0 HA3 GLY A 4 6.016 -6.933 0.205 1.00 1.05 H new ATOM 66 N ILE A 5 3.697 -8.775 -1.070 1.00 33.34 N ATOM 67 CA ILE A 5 2.617 -9.707 -0.771 1.00 33.45 C ATOM 68 C ILE A 5 3.137 -10.929 -0.020 1.00 13.53 C ATOM 69 O ILE A 5 4.163 -11.503 -0.383 1.00 31.53 O ATOM 70 CB ILE A 5 1.903 -10.173 -2.054 1.00 3.04 C ATOM 71 CG1 ILE A 5 1.136 -9.011 -2.687 1.00 43.52 C ATOM 72 CG2 ILE A 5 0.964 -11.330 -1.747 1.00 62.03 C ATOM 73 CD1 ILE A 5 0.887 -9.187 -4.169 1.00 22.13 C ATOM 0 H ILE A 5 4.057 -8.837 -2.022 1.00 33.34 H new ATOM 0 HA ILE A 5 1.905 -9.173 -0.142 1.00 33.45 H new ATOM 0 HB ILE A 5 2.653 -10.519 -2.765 1.00 3.04 H new ATOM 0 HG12 ILE A 5 0.179 -8.897 -2.177 1.00 43.52 H new ATOM 0 HG13 ILE A 5 1.694 -8.088 -2.528 1.00 43.52 H new ATOM 0 HG21 ILE A 5 0.467 -11.648 -2.663 1.00 62.03 H new ATOM 0 HG22 ILE A 5 1.535 -12.163 -1.336 1.00 62.03 H new ATOM 0 HG23 ILE A 5 0.217 -11.009 -1.021 1.00 62.03 H new ATOM 0 HD11 ILE A 5 0.339 -8.326 -4.551 1.00 22.13 H new ATOM 0 HD12 ILE A 5 1.840 -9.271 -4.691 1.00 22.13 H new ATOM 0 HD13 ILE A 5 0.302 -10.092 -4.335 1.00 22.13 H new ATOM 85 N VAL A 6 2.420 -11.321 1.029 1.00 62.11 N ATOM 86 CA VAL A 6 2.807 -12.476 1.830 1.00 61.30 C ATOM 87 C VAL A 6 1.720 -13.545 1.814 1.00 11.13 C ATOM 88 O VAL A 6 0.572 -13.282 2.172 1.00 53.43 O ATOM 89 CB VAL A 6 3.097 -12.076 3.289 1.00 41.03 C ATOM 90 CG1 VAL A 6 3.849 -13.186 4.008 1.00 54.11 C ATOM 91 CG2 VAL A 6 3.880 -10.773 3.337 1.00 11.55 C ATOM 0 H VAL A 6 1.569 -10.856 1.343 1.00 62.11 H new ATOM 0 HA VAL A 6 3.716 -12.880 1.384 1.00 61.30 H new ATOM 0 HB VAL A 6 2.147 -11.923 3.802 1.00 41.03 H new ATOM 0 HG11 VAL A 6 4.045 -12.885 5.037 1.00 54.11 H new ATOM 0 HG12 VAL A 6 3.247 -14.095 4.004 1.00 54.11 H new ATOM 0 HG13 VAL A 6 4.794 -13.374 3.499 1.00 54.11 H new ATOM 0 HG21 VAL A 6 4.077 -10.505 4.375 1.00 11.55 H new ATOM 0 HG22 VAL A 6 4.825 -10.897 2.809 1.00 11.55 H new ATOM 0 HG23 VAL A 6 3.300 -9.982 2.861 1.00 11.55 H new ATOM 101 N TRP A 7 2.090 -14.751 1.399 1.00 54.35 N ATOM 102 CA TRP A 7 1.145 -15.860 1.337 1.00 62.53 C ATOM 103 C TRP A 7 1.331 -16.800 2.523 1.00 61.10 C ATOM 104 O TRP A 7 2.444 -16.979 3.017 1.00 3.13 O ATOM 105 CB TRP A 7 1.318 -16.632 0.027 1.00 1.23 C ATOM 106 CG TRP A 7 0.896 -15.852 -1.181 1.00 63.44 C ATOM 107 CD1 TRP A 7 0.292 -14.628 -1.197 1.00 44.40 C ATOM 108 CD2 TRP A 7 1.045 -16.246 -2.550 1.00 21.12 C ATOM 109 NE1 TRP A 7 0.057 -14.236 -2.493 1.00 31.10 N ATOM 110 CE2 TRP A 7 0.510 -15.211 -3.342 1.00 22.14 C ATOM 111 CE3 TRP A 7 1.580 -17.371 -3.183 1.00 50.15 C ATOM 112 CZ2 TRP A 7 0.495 -15.271 -4.733 1.00 13.54 C ATOM 113 CZ3 TRP A 7 1.564 -17.428 -4.564 1.00 74.50 C ATOM 114 CH2 TRP A 7 1.025 -16.384 -5.326 1.00 52.55 C ATOM 0 H TRP A 7 3.037 -14.986 1.101 1.00 54.35 H new ATOM 0 HA TRP A 7 0.137 -15.448 1.378 1.00 62.53 H new ATOM 0 HB2 TRP A 7 2.364 -16.919 -0.082 1.00 1.23 H new ATOM 0 HB3 TRP A 7 0.738 -17.553 0.077 1.00 1.23 H new ATOM 0 HD1 TRP A 7 0.036 -14.052 -0.320 1.00 44.40 H new ATOM 0 HE1 TRP A 7 -0.383 -13.361 -2.777 1.00 31.10 H new ATOM 0 HE3 TRP A 7 1.998 -18.181 -2.604 1.00 50.15 H new ATOM 0 HZ2 TRP A 7 0.080 -14.467 -5.323 1.00 13.54 H new ATOM 0 HZ3 TRP A 7 1.974 -18.293 -5.064 1.00 74.50 H new ATOM 0 HH2 TRP A 7 1.028 -16.459 -6.403 1.00 52.55 H new ATOM 125 N VAL A 8 0.234 -17.399 2.976 1.00 62.02 N ATOM 126 CA VAL A 8 0.277 -18.322 4.104 1.00 42.12 C ATOM 127 C VAL A 8 -0.326 -19.672 3.733 1.00 43.05 C ATOM 128 O VAL A 8 -1.254 -19.749 2.928 1.00 73.41 O ATOM 129 CB VAL A 8 -0.474 -17.754 5.322 1.00 33.04 C ATOM 130 CG1 VAL A 8 -0.489 -18.764 6.459 1.00 22.43 C ATOM 131 CG2 VAL A 8 0.153 -16.443 5.771 1.00 1.03 C ATOM 0 H VAL A 8 -0.695 -17.261 2.579 1.00 62.02 H new ATOM 0 HA VAL A 8 1.327 -18.456 4.364 1.00 42.12 H new ATOM 0 HB VAL A 8 -1.505 -17.556 5.030 1.00 33.04 H new ATOM 0 HG11 VAL A 8 -1.024 -18.345 7.311 1.00 22.43 H new ATOM 0 HG12 VAL A 8 -0.988 -19.675 6.130 1.00 22.43 H new ATOM 0 HG13 VAL A 8 0.535 -18.997 6.752 1.00 22.43 H new ATOM 0 HG21 VAL A 8 -0.391 -16.056 6.633 1.00 1.03 H new ATOM 0 HG22 VAL A 8 1.194 -16.613 6.045 1.00 1.03 H new ATOM 0 HG23 VAL A 8 0.105 -15.719 4.957 1.00 1.03 H new ATOM 141 N VAL A 9 0.208 -20.735 4.325 1.00 64.52 N ATOM 142 CA VAL A 9 -0.278 -22.084 4.058 1.00 42.11 C ATOM 143 C VAL A 9 -0.187 -22.958 5.304 1.00 44.40 C ATOM 144 O VAL A 9 0.868 -23.052 5.932 1.00 31.34 O ATOM 145 CB VAL A 9 0.514 -22.751 2.918 1.00 43.34 C ATOM 146 CG1 VAL A 9 1.960 -22.977 3.333 1.00 60.12 C ATOM 147 CG2 VAL A 9 -0.143 -24.060 2.508 1.00 63.11 C ATOM 0 H VAL A 9 0.978 -20.689 4.993 1.00 64.52 H new ATOM 0 HA VAL A 9 -1.322 -21.990 3.759 1.00 42.11 H new ATOM 0 HB VAL A 9 0.509 -22.083 2.056 1.00 43.34 H new ATOM 0 HG11 VAL A 9 2.504 -23.449 2.515 1.00 60.12 H new ATOM 0 HG12 VAL A 9 2.424 -22.020 3.572 1.00 60.12 H new ATOM 0 HG13 VAL A 9 1.990 -23.624 4.210 1.00 60.12 H new ATOM 0 HG21 VAL A 9 0.430 -24.518 1.701 1.00 63.11 H new ATOM 0 HG22 VAL A 9 -0.171 -24.736 3.362 1.00 63.11 H new ATOM 0 HG23 VAL A 9 -1.159 -23.865 2.166 1.00 63.11 H new ATOM 157 N ASP A 10 -1.298 -23.595 5.655 1.00 1.25 N ATOM 158 CA ASP A 10 -1.344 -24.463 6.826 1.00 23.02 C ATOM 159 C ASP A 10 -2.524 -25.425 6.743 1.00 34.42 C ATOM 160 O ASP A 10 -3.189 -25.521 5.711 1.00 2.11 O ATOM 161 CB ASP A 10 -1.440 -23.628 8.104 1.00 45.42 C ATOM 162 CG ASP A 10 -2.645 -22.709 8.106 1.00 53.35 C ATOM 163 OD1 ASP A 10 -3.688 -23.097 7.538 1.00 52.51 O ATOM 164 OD2 ASP A 10 -2.547 -21.602 8.675 1.00 25.13 O ATOM 0 H ASP A 10 -2.179 -23.527 5.146 1.00 1.25 H new ATOM 0 HA ASP A 10 -0.424 -25.046 6.851 1.00 23.02 H new ATOM 0 HB2 ASP A 10 -1.493 -24.293 8.966 1.00 45.42 H new ATOM 0 HB3 ASP A 10 -0.533 -23.033 8.215 1.00 45.42 H new ATOM 169 N ASP A 11 -2.779 -26.137 7.836 1.00 40.13 N ATOM 170 CA ASP A 11 -3.880 -27.092 7.887 1.00 64.22 C ATOM 171 C ASP A 11 -4.941 -26.646 8.888 1.00 43.23 C ATOM 172 O ASP A 11 -5.949 -27.325 9.083 1.00 40.32 O ATOM 173 CB ASP A 11 -3.360 -28.481 8.261 1.00 73.42 C ATOM 174 CG ASP A 11 -3.778 -29.544 7.263 1.00 11.41 C ATOM 175 OD1 ASP A 11 -3.648 -29.298 6.045 1.00 21.33 O ATOM 176 OD2 ASP A 11 -4.234 -30.621 7.700 1.00 53.41 O ATOM 0 H ASP A 11 -2.238 -26.071 8.698 1.00 40.13 H new ATOM 0 HA ASP A 11 -4.336 -27.137 6.898 1.00 64.22 H new ATOM 0 HB2 ASP A 11 -2.272 -28.454 8.324 1.00 73.42 H new ATOM 0 HB3 ASP A 11 -3.730 -28.750 9.250 1.00 73.42 H new ATOM 181 N ASP A 12 -4.706 -25.501 9.520 1.00 61.22 N ATOM 182 CA ASP A 12 -5.641 -24.964 10.501 1.00 54.30 C ATOM 183 C ASP A 12 -6.110 -23.569 10.098 1.00 60.11 C ATOM 184 O ASP A 12 -5.356 -22.797 9.505 1.00 73.52 O ATOM 185 CB ASP A 12 -4.991 -24.917 11.885 1.00 53.24 C ATOM 186 CG ASP A 12 -5.320 -26.138 12.721 1.00 72.15 C ATOM 187 OD1 ASP A 12 -6.516 -26.486 12.819 1.00 41.13 O ATOM 188 OD2 ASP A 12 -4.382 -26.747 13.276 1.00 40.32 O ATOM 0 H ASP A 12 -3.876 -24.927 9.370 1.00 61.22 H new ATOM 0 HA ASP A 12 -6.508 -25.623 10.538 1.00 54.30 H new ATOM 0 HB2 ASP A 12 -3.910 -24.838 11.773 1.00 53.24 H new ATOM 0 HB3 ASP A 12 -5.324 -24.021 12.409 1.00 53.24 H new ATOM 193 N SER A 13 -7.359 -23.253 10.423 1.00 34.11 N ATOM 194 CA SER A 13 -7.930 -21.953 10.091 1.00 74.23 C ATOM 195 C SER A 13 -7.394 -20.870 11.022 1.00 61.04 C ATOM 196 O SER A 13 -6.899 -19.837 10.570 1.00 30.31 O ATOM 197 CB SER A 13 -9.457 -22.006 10.177 1.00 0.23 C ATOM 198 OG SER A 13 -10.053 -21.360 9.066 1.00 74.43 O ATOM 0 H SER A 13 -7.995 -23.879 10.916 1.00 34.11 H new ATOM 0 HA SER A 13 -7.639 -21.706 9.070 1.00 74.23 H new ATOM 0 HB2 SER A 13 -9.786 -23.044 10.218 1.00 0.23 H new ATOM 0 HB3 SER A 13 -9.789 -21.530 11.100 1.00 0.23 H new ATOM 0 HG SER A 13 -11.029 -21.409 9.144 1.00 74.43 H new ATOM 204 N SER A 14 -7.496 -21.114 12.324 1.00 32.21 N ATOM 205 CA SER A 14 -7.025 -20.159 13.320 1.00 13.02 C ATOM 206 C SER A 14 -5.537 -19.877 13.141 1.00 24.13 C ATOM 207 O SER A 14 -5.027 -18.857 13.606 1.00 22.23 O ATOM 208 CB SER A 14 -7.290 -20.689 14.731 1.00 43.22 C ATOM 209 OG SER A 14 -6.155 -21.365 15.243 1.00 65.23 O ATOM 0 H SER A 14 -7.901 -21.965 12.714 1.00 32.21 H new ATOM 0 HA SER A 14 -7.573 -19.227 13.181 1.00 13.02 H new ATOM 0 HB2 SER A 14 -7.553 -19.862 15.390 1.00 43.22 H new ATOM 0 HB3 SER A 14 -8.144 -21.366 14.714 1.00 43.22 H new ATOM 0 HG SER A 14 -6.349 -21.693 16.146 1.00 65.23 H new ATOM 215 N ILE A 15 -4.846 -20.788 12.465 1.00 64.23 N ATOM 216 CA ILE A 15 -3.416 -20.638 12.223 1.00 10.11 C ATOM 217 C ILE A 15 -3.151 -19.656 11.087 1.00 62.44 C ATOM 218 O ILE A 15 -2.214 -18.859 11.147 1.00 74.51 O ATOM 219 CB ILE A 15 -2.757 -21.988 11.884 1.00 33.25 C ATOM 220 CG1 ILE A 15 -2.813 -22.925 13.093 1.00 0.10 C ATOM 221 CG2 ILE A 15 -1.319 -21.778 11.436 1.00 23.03 C ATOM 222 CD1 ILE A 15 -2.121 -22.372 14.319 1.00 44.42 C ATOM 0 H ILE A 15 -5.253 -21.638 12.075 1.00 64.23 H new ATOM 0 HA ILE A 15 -2.979 -20.251 13.144 1.00 10.11 H new ATOM 0 HB ILE A 15 -3.308 -22.449 11.064 1.00 33.25 H new ATOM 0 HG12 ILE A 15 -3.856 -23.130 13.336 1.00 0.10 H new ATOM 0 HG13 ILE A 15 -2.355 -23.877 12.826 1.00 0.10 H new ATOM 0 HG21 ILE A 15 -0.867 -22.741 11.200 1.00 23.03 H new ATOM 0 HG22 ILE A 15 -1.303 -21.143 10.550 1.00 23.03 H new ATOM 0 HG23 ILE A 15 -0.755 -21.299 12.236 1.00 23.03 H new ATOM 0 HD11 ILE A 15 -2.201 -23.089 15.136 1.00 44.42 H new ATOM 0 HD12 ILE A 15 -1.070 -22.194 14.094 1.00 44.42 H new ATOM 0 HD13 ILE A 15 -2.594 -21.434 14.612 1.00 44.42 H new ATOM 234 N ARG A 16 -3.983 -19.719 10.052 1.00 44.11 N ATOM 235 CA ARG A 16 -3.838 -18.835 8.901 1.00 35.14 C ATOM 236 C ARG A 16 -4.456 -17.469 9.185 1.00 52.15 C ATOM 237 O ARG A 16 -4.007 -16.452 8.656 1.00 62.13 O ATOM 238 CB ARG A 16 -4.495 -19.458 7.668 1.00 41.32 C ATOM 239 CG ARG A 16 -5.961 -19.805 7.868 1.00 51.11 C ATOM 240 CD ARG A 16 -6.611 -20.249 6.567 1.00 60.21 C ATOM 241 NE ARG A 16 -8.066 -20.319 6.678 1.00 65.14 N ATOM 242 CZ ARG A 16 -8.854 -19.250 6.694 1.00 5.23 C ATOM 243 NH1 ARG A 16 -8.330 -18.035 6.607 1.00 1.14 N ATOM 244 NH2 ARG A 16 -10.168 -19.395 6.797 1.00 15.25 N ATOM 0 H ARG A 16 -4.764 -20.372 9.987 1.00 44.11 H new ATOM 0 HA ARG A 16 -2.774 -18.700 8.708 1.00 35.14 H new ATOM 0 HB2 ARG A 16 -4.405 -18.766 6.831 1.00 41.32 H new ATOM 0 HB3 ARG A 16 -3.951 -20.362 7.394 1.00 41.32 H new ATOM 0 HG2 ARG A 16 -6.050 -20.599 8.610 1.00 51.11 H new ATOM 0 HG3 ARG A 16 -6.491 -18.938 8.263 1.00 51.11 H new ATOM 0 HD2 ARG A 16 -6.341 -19.554 5.771 1.00 60.21 H new ATOM 0 HD3 ARG A 16 -6.222 -21.227 6.282 1.00 60.21 H new ATOM 0 HE ARG A 16 -8.500 -21.239 6.747 1.00 65.14 H new ATOM 0 HH11 ARG A 16 -7.320 -17.920 6.528 1.00 1.14 H new ATOM 0 HH12 ARG A 16 -8.937 -17.216 6.619 1.00 1.14 H new ATOM 0 HH21 ARG A 16 -10.574 -20.328 6.864 1.00 15.25 H new ATOM 0 HH22 ARG A 16 -10.772 -18.573 6.809 1.00 15.25 H new ATOM 258 N TRP A 17 -5.488 -17.454 10.021 1.00 42.04 N ATOM 259 CA TRP A 17 -6.168 -16.213 10.373 1.00 4.34 C ATOM 260 C TRP A 17 -5.195 -15.217 10.996 1.00 21.42 C ATOM 261 O TRP A 17 -5.066 -14.085 10.530 1.00 35.21 O ATOM 262 CB TRP A 17 -7.318 -16.494 11.341 1.00 21.44 C ATOM 263 CG TRP A 17 -7.792 -15.274 12.071 1.00 34.31 C ATOM 264 CD1 TRP A 17 -8.612 -14.296 11.585 1.00 12.15 C ATOM 265 CD2 TRP A 17 -7.474 -14.902 13.417 1.00 60.45 C ATOM 266 NE1 TRP A 17 -8.823 -13.338 12.548 1.00 25.10 N ATOM 267 CE2 TRP A 17 -8.136 -13.687 13.681 1.00 60.43 C ATOM 268 CE3 TRP A 17 -6.696 -15.478 14.424 1.00 20.34 C ATOM 269 CZ2 TRP A 17 -8.041 -13.040 14.910 1.00 60.22 C ATOM 270 CZ3 TRP A 17 -6.602 -14.835 15.644 1.00 55.44 C ATOM 271 CH2 TRP A 17 -7.272 -13.626 15.878 1.00 34.53 C ATOM 0 H TRP A 17 -5.872 -18.287 10.467 1.00 42.04 H new ATOM 0 HA TRP A 17 -6.570 -15.777 9.459 1.00 4.34 H new ATOM 0 HB2 TRP A 17 -8.152 -16.924 10.787 1.00 21.44 H new ATOM 0 HB3 TRP A 17 -6.998 -17.241 12.067 1.00 21.44 H new ATOM 0 HD1 TRP A 17 -9.033 -14.278 10.590 1.00 12.15 H new ATOM 0 HE1 TRP A 17 -9.398 -12.503 12.437 1.00 25.10 H new ATOM 0 HE3 TRP A 17 -6.177 -16.409 14.252 1.00 20.34 H new ATOM 0 HZ2 TRP A 17 -8.556 -12.109 15.093 1.00 60.22 H new ATOM 0 HZ3 TRP A 17 -6.003 -15.271 16.430 1.00 55.44 H new ATOM 0 HH2 TRP A 17 -7.179 -13.148 16.842 1.00 34.53 H new ATOM 282 N VAL A 18 -4.511 -15.646 12.052 1.00 21.53 N ATOM 283 CA VAL A 18 -3.548 -14.793 12.738 1.00 13.31 C ATOM 284 C VAL A 18 -2.588 -14.143 11.749 1.00 45.22 C ATOM 285 O VAL A 18 -2.322 -12.942 11.821 1.00 33.14 O ATOM 286 CB VAL A 18 -2.737 -15.586 13.780 1.00 42.25 C ATOM 287 CG1 VAL A 18 -3.583 -15.872 15.011 1.00 42.12 C ATOM 288 CG2 VAL A 18 -2.210 -16.877 13.173 1.00 61.43 C ATOM 0 H VAL A 18 -4.606 -16.580 12.451 1.00 21.53 H new ATOM 0 HA VAL A 18 -4.119 -14.017 13.248 1.00 13.31 H new ATOM 0 HB VAL A 18 -1.884 -14.981 14.088 1.00 42.25 H new ATOM 0 HG11 VAL A 18 -2.993 -16.433 15.736 1.00 42.12 H new ATOM 0 HG12 VAL A 18 -3.907 -14.931 15.457 1.00 42.12 H new ATOM 0 HG13 VAL A 18 -4.457 -16.457 14.724 1.00 42.12 H new ATOM 0 HG21 VAL A 18 -1.639 -17.425 13.923 1.00 61.43 H new ATOM 0 HG22 VAL A 18 -3.047 -17.488 12.835 1.00 61.43 H new ATOM 0 HG23 VAL A 18 -1.566 -16.644 12.325 1.00 61.43 H new ATOM 298 N LEU A 19 -2.069 -14.943 10.824 1.00 23.00 N ATOM 299 CA LEU A 19 -1.137 -14.446 9.818 1.00 65.01 C ATOM 300 C LEU A 19 -1.856 -13.579 8.790 1.00 73.02 C ATOM 301 O LEU A 19 -1.236 -12.764 8.109 1.00 44.52 O ATOM 302 CB LEU A 19 -0.440 -15.614 9.118 1.00 22.43 C ATOM 303 CG LEU A 19 0.759 -16.217 9.851 1.00 20.35 C ATOM 304 CD1 LEU A 19 1.094 -17.590 9.289 1.00 75.00 C ATOM 305 CD2 LEU A 19 1.963 -15.292 9.756 1.00 42.32 C ATOM 0 H LEU A 19 -2.278 -15.939 10.750 1.00 23.00 H new ATOM 0 HA LEU A 19 -0.389 -13.834 10.323 1.00 65.01 H new ATOM 0 HB2 LEU A 19 -1.174 -16.403 8.953 1.00 22.43 H new ATOM 0 HB3 LEU A 19 -0.108 -15.277 8.136 1.00 22.43 H new ATOM 0 HG LEU A 19 0.496 -16.332 10.903 1.00 20.35 H new ATOM 0 HD11 LEU A 19 1.950 -18.003 9.823 1.00 75.00 H new ATOM 0 HD12 LEU A 19 0.237 -18.252 9.410 1.00 75.00 H new ATOM 0 HD13 LEU A 19 1.336 -17.500 8.230 1.00 75.00 H new ATOM 0 HD21 LEU A 19 2.807 -15.737 10.283 1.00 42.32 H new ATOM 0 HD22 LEU A 19 2.227 -15.144 8.709 1.00 42.32 H new ATOM 0 HD23 LEU A 19 1.720 -14.330 10.208 1.00 42.32 H new ATOM 317 N GLU A 20 -3.169 -13.760 8.685 1.00 31.44 N ATOM 318 CA GLU A 20 -3.973 -12.993 7.741 1.00 22.12 C ATOM 319 C GLU A 20 -4.309 -11.616 8.306 1.00 34.24 C ATOM 320 O GLU A 20 -3.952 -10.591 7.726 1.00 61.00 O ATOM 321 CB GLU A 20 -5.261 -13.747 7.403 1.00 0.35 C ATOM 322 CG GLU A 20 -5.512 -13.885 5.911 1.00 11.43 C ATOM 323 CD GLU A 20 -6.679 -14.801 5.598 1.00 13.44 C ATOM 324 OE1 GLU A 20 -7.400 -15.186 6.543 1.00 53.52 O ATOM 325 OE2 GLU A 20 -6.872 -15.133 4.410 1.00 3.32 O ATOM 0 H GLU A 20 -3.698 -14.431 9.242 1.00 31.44 H new ATOM 0 HA GLU A 20 -3.389 -12.860 6.830 1.00 22.12 H new ATOM 0 HB2 GLU A 20 -5.218 -14.741 7.849 1.00 0.35 H new ATOM 0 HB3 GLU A 20 -6.105 -13.229 7.859 1.00 0.35 H new ATOM 0 HG2 GLU A 20 -5.704 -12.900 5.486 1.00 11.43 H new ATOM 0 HG3 GLU A 20 -4.613 -14.270 5.429 1.00 11.43 H new ATOM 332 N ARG A 21 -5.000 -11.602 9.442 1.00 43.21 N ATOM 333 CA ARG A 21 -5.387 -10.352 10.085 1.00 4.11 C ATOM 334 C ARG A 21 -4.173 -9.451 10.296 1.00 13.12 C ATOM 335 O ARG A 21 -4.302 -8.230 10.384 1.00 31.31 O ATOM 336 CB ARG A 21 -6.066 -10.633 11.427 1.00 51.15 C ATOM 337 CG ARG A 21 -5.156 -11.305 12.441 1.00 2.04 C ATOM 338 CD ARG A 21 -5.657 -11.099 13.862 1.00 14.21 C ATOM 339 NE ARG A 21 -5.084 -9.904 14.477 1.00 74.41 N ATOM 340 CZ ARG A 21 -5.116 -9.663 15.783 1.00 41.12 C ATOM 341 NH1 ARG A 21 -5.689 -10.529 16.607 1.00 52.12 N ATOM 342 NH2 ARG A 21 -4.573 -8.553 16.267 1.00 64.32 N ATOM 0 H ARG A 21 -5.303 -12.442 9.935 1.00 43.21 H new ATOM 0 HA ARG A 21 -6.091 -9.838 9.430 1.00 4.11 H new ATOM 0 HB2 ARG A 21 -6.430 -9.694 11.844 1.00 51.15 H new ATOM 0 HB3 ARG A 21 -6.937 -11.266 11.258 1.00 51.15 H new ATOM 0 HG2 ARG A 21 -5.096 -12.372 12.226 1.00 2.04 H new ATOM 0 HG3 ARG A 21 -4.147 -10.904 12.348 1.00 2.04 H new ATOM 0 HD2 ARG A 21 -6.744 -11.017 13.855 1.00 14.21 H new ATOM 0 HD3 ARG A 21 -5.407 -11.972 14.465 1.00 14.21 H new ATOM 0 HE ARG A 21 -4.635 -9.218 13.871 1.00 74.41 H new ATOM 0 HH11 ARG A 21 -6.107 -11.383 16.239 1.00 52.12 H new ATOM 0 HH12 ARG A 21 -5.712 -10.341 17.609 1.00 52.12 H new ATOM 0 HH21 ARG A 21 -4.131 -7.884 15.636 1.00 64.32 H new ATOM 0 HH22 ARG A 21 -4.598 -8.368 17.270 1.00 64.32 H new ATOM 356 N ALA A 22 -2.996 -10.062 10.377 1.00 1.00 N ATOM 357 CA ALA A 22 -1.760 -9.315 10.576 1.00 21.43 C ATOM 358 C ALA A 22 -1.575 -8.261 9.491 1.00 43.43 C ATOM 359 O ALA A 22 -1.501 -7.065 9.778 1.00 24.24 O ATOM 360 CB ALA A 22 -0.570 -10.263 10.603 1.00 4.20 C ATOM 0 H ALA A 22 -2.872 -11.072 10.308 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.824 -8.802 11.536 1.00 21.43 H new ATOM 0 HB1 ALA A 22 0.347 -9.692 10.752 1.00 4.20 H new ATOM 0 HB2 ALA A 22 -0.691 -10.975 11.419 1.00 4.20 H new ATOM 0 HB3 ALA A 22 -0.512 -10.801 9.657 1.00 4.20 H new ATOM 366 N LEU A 23 -1.500 -8.710 8.243 1.00 43.32 N ATOM 367 CA LEU A 23 -1.322 -7.804 7.113 1.00 12.11 C ATOM 368 C LEU A 23 -2.662 -7.241 6.650 1.00 34.53 C ATOM 369 O LEU A 23 -2.715 -6.225 5.959 1.00 44.13 O ATOM 370 CB LEU A 23 -0.634 -8.529 5.956 1.00 64.33 C ATOM 371 CG LEU A 23 0.580 -9.383 6.326 1.00 72.13 C ATOM 372 CD1 LEU A 23 1.271 -9.899 5.073 1.00 23.14 C ATOM 373 CD2 LEU A 23 1.551 -8.586 7.184 1.00 43.24 C ATOM 0 H LEU A 23 -1.560 -9.696 7.988 1.00 43.32 H new ATOM 0 HA LEU A 23 -0.694 -6.975 7.439 1.00 12.11 H new ATOM 0 HB2 LEU A 23 -1.368 -9.169 5.467 1.00 64.33 H new ATOM 0 HB3 LEU A 23 -0.321 -7.786 5.223 1.00 64.33 H new ATOM 0 HG LEU A 23 0.235 -10.240 6.905 1.00 72.13 H new ATOM 0 HD11 LEU A 23 2.132 -10.504 5.356 1.00 23.14 H new ATOM 0 HD12 LEU A 23 0.573 -10.507 4.497 1.00 23.14 H new ATOM 0 HD13 LEU A 23 1.603 -9.056 4.467 1.00 23.14 H new ATOM 0 HD21 LEU A 23 2.408 -9.209 7.438 1.00 43.24 H new ATOM 0 HD22 LEU A 23 1.890 -7.710 6.631 1.00 43.24 H new ATOM 0 HD23 LEU A 23 1.051 -8.267 8.099 1.00 43.24 H new ATOM 385 N ALA A 24 -3.744 -7.909 7.039 1.00 51.25 N ATOM 386 CA ALA A 24 -5.085 -7.473 6.667 1.00 24.31 C ATOM 387 C ALA A 24 -5.282 -5.990 6.963 1.00 64.34 C ATOM 388 O ALA A 24 -6.017 -5.299 6.258 1.00 24.35 O ATOM 389 CB ALA A 24 -6.130 -8.302 7.398 1.00 74.41 C ATOM 0 H ALA A 24 -3.718 -8.753 7.611 1.00 51.25 H new ATOM 0 HA ALA A 24 -5.204 -7.621 5.594 1.00 24.31 H new ATOM 0 HB1 ALA A 24 -7.127 -7.966 7.111 1.00 74.41 H new ATOM 0 HB2 ALA A 24 -6.011 -9.353 7.134 1.00 74.41 H new ATOM 0 HB3 ALA A 24 -6.002 -8.182 8.474 1.00 74.41 H new ATOM 395 N GLY A 25 -4.620 -5.507 8.010 1.00 61.02 N ATOM 396 CA GLY A 25 -4.737 -4.109 8.380 1.00 4.32 C ATOM 397 C GLY A 25 -3.755 -3.227 7.634 1.00 25.43 C ATOM 398 O GLY A 25 -4.009 -2.042 7.426 1.00 3.50 O ATOM 0 H GLY A 25 -4.005 -6.059 8.608 1.00 61.02 H new ATOM 0 HA2 GLY A 25 -5.752 -3.767 8.179 1.00 4.32 H new ATOM 0 HA3 GLY A 25 -4.572 -4.005 9.452 1.00 4.32 H new ATOM 402 N ALA A 26 -2.628 -3.807 7.232 1.00 34.54 N ATOM 403 CA ALA A 26 -1.605 -3.067 6.505 1.00 1.14 C ATOM 404 C ALA A 26 -1.918 -3.018 5.014 1.00 51.32 C ATOM 405 O ALA A 26 -3.016 -3.374 4.588 1.00 21.11 O ATOM 406 CB ALA A 26 -0.237 -3.690 6.739 1.00 5.20 C ATOM 0 H ALA A 26 -2.401 -4.788 7.398 1.00 34.54 H new ATOM 0 HA ALA A 26 -1.595 -2.044 6.881 1.00 1.14 H new ATOM 0 HB1 ALA A 26 0.518 -3.127 6.190 1.00 5.20 H new ATOM 0 HB2 ALA A 26 -0.004 -3.667 7.804 1.00 5.20 H new ATOM 0 HB3 ALA A 26 -0.243 -4.723 6.391 1.00 5.20 H new ATOM 412 N GLY A 27 -0.946 -2.573 4.224 1.00 44.33 N ATOM 413 CA GLY A 27 -1.138 -2.484 2.788 1.00 32.30 C ATOM 414 C GLY A 27 -0.484 -3.631 2.044 1.00 62.24 C ATOM 415 O GLY A 27 0.195 -3.421 1.037 1.00 34.31 O ATOM 0 H GLY A 27 -0.028 -2.272 4.553 1.00 44.33 H new ATOM 0 HA2 GLY A 27 -2.205 -2.473 2.567 1.00 32.30 H new ATOM 0 HA3 GLY A 27 -0.728 -1.540 2.427 1.00 32.30 H new ATOM 419 N LEU A 28 -0.685 -4.847 2.539 1.00 70.21 N ATOM 420 CA LEU A 28 -0.108 -6.033 1.915 1.00 42.23 C ATOM 421 C LEU A 28 -1.140 -7.151 1.812 1.00 22.32 C ATOM 422 O LEU A 28 -1.860 -7.437 2.770 1.00 51.45 O ATOM 423 CB LEU A 28 1.105 -6.514 2.713 1.00 62.02 C ATOM 424 CG LEU A 28 1.456 -5.698 3.958 1.00 63.35 C ATOM 425 CD1 LEU A 28 2.385 -6.487 4.868 1.00 43.43 C ATOM 426 CD2 LEU A 28 2.091 -4.372 3.565 1.00 74.04 C ATOM 0 H LEU A 28 -1.243 -5.038 3.371 1.00 70.21 H new ATOM 0 HA LEU A 28 0.211 -5.765 0.908 1.00 42.23 H new ATOM 0 HB2 LEU A 28 0.929 -7.546 3.017 1.00 62.02 H new ATOM 0 HB3 LEU A 28 1.971 -6.520 2.051 1.00 62.02 H new ATOM 0 HG LEU A 28 0.536 -5.490 4.504 1.00 63.35 H new ATOM 0 HD11 LEU A 28 2.624 -5.891 5.749 1.00 43.43 H new ATOM 0 HD12 LEU A 28 1.894 -7.410 5.177 1.00 43.43 H new ATOM 0 HD13 LEU A 28 3.303 -6.726 4.331 1.00 43.43 H new ATOM 0 HD21 LEU A 28 2.334 -3.805 4.463 1.00 74.04 H new ATOM 0 HD22 LEU A 28 3.002 -4.559 2.996 1.00 74.04 H new ATOM 0 HD23 LEU A 28 1.392 -3.801 2.953 1.00 74.04 H new ATOM 438 N THR A 29 -1.205 -7.784 0.645 1.00 71.31 N ATOM 439 CA THR A 29 -2.148 -8.872 0.417 1.00 25.42 C ATOM 440 C THR A 29 -1.890 -10.032 1.373 1.00 14.42 C ATOM 441 O THR A 29 -0.798 -10.162 1.926 1.00 3.33 O ATOM 442 CB THR A 29 -2.069 -9.390 -1.032 1.00 0.44 C ATOM 443 OG1 THR A 29 -2.018 -8.287 -1.943 1.00 43.34 O ATOM 444 CG2 THR A 29 -3.267 -10.269 -1.358 1.00 42.30 C ATOM 0 H THR A 29 -0.616 -7.562 -0.157 1.00 71.31 H new ATOM 0 HA THR A 29 -3.145 -8.469 0.598 1.00 25.42 H new ATOM 0 HB THR A 29 -1.163 -9.987 -1.133 1.00 0.44 H new ATOM 0 HG1 THR A 29 -1.822 -8.616 -2.845 1.00 43.34 H new ATOM 0 HG21 THR A 29 -3.190 -10.623 -2.386 1.00 42.30 H new ATOM 0 HG22 THR A 29 -3.287 -11.123 -0.681 1.00 42.30 H new ATOM 0 HG23 THR A 29 -4.184 -9.692 -1.241 1.00 42.30 H new ATOM 452 N CYS A 30 -2.902 -10.871 1.563 1.00 71.22 N ATOM 453 CA CYS A 30 -2.785 -12.021 2.453 1.00 10.20 C ATOM 454 C CYS A 30 -3.554 -13.216 1.901 1.00 33.51 C ATOM 455 O CYS A 30 -4.760 -13.345 2.114 1.00 34.42 O ATOM 456 CB CYS A 30 -3.302 -11.666 3.848 1.00 23.42 C ATOM 457 SG CYS A 30 -4.885 -10.794 3.849 1.00 12.51 S ATOM 0 H CYS A 30 -3.813 -10.777 1.113 1.00 71.22 H new ATOM 0 HA CYS A 30 -1.731 -12.291 2.522 1.00 10.20 H new ATOM 0 HB2 CYS A 30 -3.404 -12.582 4.430 1.00 23.42 H new ATOM 0 HB3 CYS A 30 -2.559 -11.049 4.353 1.00 23.42 H new ATOM 0 HG CYS A 30 -5.727 -11.422 3.083 1.00 12.51 H new ATOM 463 N THR A 31 -2.849 -14.090 1.188 1.00 12.44 N ATOM 464 CA THR A 31 -3.466 -15.273 0.603 1.00 64.41 C ATOM 465 C THR A 31 -3.170 -16.516 1.435 1.00 43.11 C ATOM 466 O THR A 31 -2.028 -16.972 1.505 1.00 2.02 O ATOM 467 CB THR A 31 -2.977 -15.506 -0.839 1.00 64.50 C ATOM 468 OG1 THR A 31 -3.068 -14.291 -1.590 1.00 4.42 O ATOM 469 CG2 THR A 31 -3.797 -16.592 -1.520 1.00 11.51 C ATOM 0 H THR A 31 -1.850 -14.000 1.002 1.00 12.44 H new ATOM 0 HA THR A 31 -4.541 -15.095 0.590 1.00 64.41 H new ATOM 0 HB THR A 31 -1.937 -15.830 -0.798 1.00 64.50 H new ATOM 0 HG1 THR A 31 -2.176 -14.032 -1.903 1.00 4.42 H new ATOM 0 HG21 THR A 31 -3.433 -16.739 -2.537 1.00 11.51 H new ATOM 0 HG22 THR A 31 -3.701 -17.524 -0.962 1.00 11.51 H new ATOM 0 HG23 THR A 31 -4.845 -16.293 -1.549 1.00 11.51 H new ATOM 477 N THR A 32 -4.206 -17.061 2.065 1.00 64.53 N ATOM 478 CA THR A 32 -4.056 -18.252 2.893 1.00 55.44 C ATOM 479 C THR A 32 -4.562 -19.493 2.167 1.00 62.22 C ATOM 480 O THR A 32 -5.651 -19.489 1.594 1.00 74.14 O ATOM 481 CB THR A 32 -4.814 -18.107 4.226 1.00 5.32 C ATOM 482 OG1 THR A 32 -6.226 -18.125 3.992 1.00 31.32 O ATOM 483 CG2 THR A 32 -4.428 -16.814 4.930 1.00 62.32 C ATOM 0 H THR A 32 -5.158 -16.697 2.018 1.00 64.53 H new ATOM 0 HA THR A 32 -2.991 -18.363 3.098 1.00 55.44 H new ATOM 0 HB THR A 32 -4.542 -18.946 4.866 1.00 5.32 H new ATOM 0 HG1 THR A 32 -6.586 -17.219 4.093 1.00 31.32 H new ATOM 0 HG21 THR A 32 -4.976 -16.733 5.869 1.00 62.32 H new ATOM 0 HG22 THR A 32 -3.357 -16.816 5.134 1.00 62.32 H new ATOM 0 HG23 THR A 32 -4.674 -15.965 4.292 1.00 62.32 H new ATOM 491 N PHE A 33 -3.764 -20.555 2.195 1.00 21.54 N ATOM 492 CA PHE A 33 -4.131 -21.805 1.539 1.00 22.14 C ATOM 493 C PHE A 33 -4.306 -22.925 2.561 1.00 2.22 C ATOM 494 O PHE A 33 -4.301 -22.684 3.768 1.00 51.52 O ATOM 495 CB PHE A 33 -3.067 -22.198 0.513 1.00 62.25 C ATOM 496 CG PHE A 33 -2.889 -21.187 -0.583 1.00 42.35 C ATOM 497 CD1 PHE A 33 -3.666 -21.243 -1.729 1.00 61.32 C ATOM 498 CD2 PHE A 33 -1.945 -20.179 -0.468 1.00 21.12 C ATOM 499 CE1 PHE A 33 -3.504 -20.314 -2.739 1.00 65.35 C ATOM 500 CE2 PHE A 33 -1.778 -19.247 -1.475 1.00 12.13 C ATOM 501 CZ PHE A 33 -2.559 -19.314 -2.612 1.00 35.14 C ATOM 0 H PHE A 33 -2.859 -20.575 2.665 1.00 21.54 H new ATOM 0 HA PHE A 33 -5.081 -21.652 1.027 1.00 22.14 H new ATOM 0 HB2 PHE A 33 -2.115 -22.339 1.025 1.00 62.25 H new ATOM 0 HB3 PHE A 33 -3.336 -23.157 0.071 1.00 62.25 H new ATOM 0 HD1 PHE A 33 -4.407 -22.022 -1.834 1.00 61.32 H new ATOM 0 HD2 PHE A 33 -1.332 -20.121 0.419 1.00 21.12 H new ATOM 0 HE1 PHE A 33 -4.116 -20.370 -3.627 1.00 65.35 H new ATOM 0 HE2 PHE A 33 -1.038 -18.467 -1.373 1.00 12.13 H new ATOM 0 HZ PHE A 33 -2.431 -18.587 -3.400 1.00 35.14 H new ATOM 511 N GLU A 34 -4.461 -24.149 2.068 1.00 65.43 N ATOM 512 CA GLU A 34 -4.639 -25.306 2.938 1.00 44.03 C ATOM 513 C GLU A 34 -3.588 -26.373 2.646 1.00 62.32 C ATOM 514 O GLU A 34 -3.087 -27.032 3.556 1.00 13.24 O ATOM 515 CB GLU A 34 -6.041 -25.893 2.762 1.00 65.32 C ATOM 516 CG GLU A 34 -6.305 -26.430 1.365 1.00 40.51 C ATOM 517 CD GLU A 34 -7.726 -26.928 1.191 1.00 55.33 C ATOM 518 OE1 GLU A 34 -8.538 -26.741 2.121 1.00 13.42 O ATOM 519 OE2 GLU A 34 -8.027 -27.505 0.125 1.00 52.41 O ATOM 0 H GLU A 34 -4.467 -24.366 1.071 1.00 65.43 H new ATOM 0 HA GLU A 34 -4.518 -24.975 3.970 1.00 44.03 H new ATOM 0 HB2 GLU A 34 -6.182 -26.697 3.484 1.00 65.32 H new ATOM 0 HB3 GLU A 34 -6.779 -25.125 2.992 1.00 65.32 H new ATOM 0 HG2 GLU A 34 -6.107 -25.645 0.635 1.00 40.51 H new ATOM 0 HG3 GLU A 34 -5.611 -27.244 1.155 1.00 40.51 H new ATOM 526 N ASN A 35 -3.259 -26.538 1.368 1.00 34.25 N ATOM 527 CA ASN A 35 -2.269 -27.526 0.955 1.00 32.13 C ATOM 528 C ASN A 35 -1.119 -26.862 0.204 1.00 74.34 C ATOM 529 O ASN A 35 -1.333 -26.162 -0.785 1.00 4.41 O ATOM 530 CB ASN A 35 -2.920 -28.594 0.074 1.00 15.11 C ATOM 531 CG ASN A 35 -3.094 -29.915 0.799 1.00 51.41 C ATOM 532 OD1 ASN A 35 -2.287 -30.276 1.655 1.00 63.41 O ATOM 533 ND2 ASN A 35 -4.152 -30.642 0.458 1.00 44.11 N ATOM 0 H ASN A 35 -3.664 -26.000 0.601 1.00 34.25 H new ATOM 0 HA ASN A 35 -1.869 -28.000 1.851 1.00 32.13 H new ATOM 0 HB2 ASN A 35 -3.893 -28.238 -0.265 1.00 15.11 H new ATOM 0 HB3 ASN A 35 -2.310 -28.749 -0.816 1.00 15.11 H new ATOM 0 HD21 ASN A 35 -4.322 -31.540 0.912 1.00 44.11 H new ATOM 0 HD22 ASN A 35 -4.795 -30.303 -0.258 1.00 44.11 H new ATOM 540 N GLY A 36 0.101 -27.089 0.680 1.00 62.12 N ATOM 541 CA GLY A 36 1.267 -26.507 0.041 1.00 52.22 C ATOM 542 C GLY A 36 1.334 -26.822 -1.440 1.00 61.04 C ATOM 543 O GLY A 36 1.768 -25.993 -2.239 1.00 22.11 O ATOM 0 H GLY A 36 0.303 -27.666 1.497 1.00 62.12 H new ATOM 0 HA2 GLY A 36 1.251 -25.426 0.179 1.00 52.22 H new ATOM 0 HA3 GLY A 36 2.168 -26.878 0.529 1.00 52.22 H new ATOM 547 N ASN A 37 0.905 -28.025 -1.808 1.00 13.11 N ATOM 548 CA ASN A 37 0.920 -28.449 -3.203 1.00 43.43 C ATOM 549 C ASN A 37 0.127 -27.480 -4.075 1.00 2.30 C ATOM 550 O ASN A 37 0.368 -27.372 -5.277 1.00 1.22 O ATOM 551 CB ASN A 37 0.344 -29.860 -3.336 1.00 4.10 C ATOM 552 CG ASN A 37 0.913 -30.607 -4.527 1.00 54.43 C ATOM 553 OD1 ASN A 37 1.823 -31.423 -4.386 1.00 31.34 O ATOM 554 ND2 ASN A 37 0.377 -30.329 -5.710 1.00 55.21 N ATOM 0 H ASN A 37 0.543 -28.724 -1.159 1.00 13.11 H new ATOM 0 HA ASN A 37 1.955 -28.453 -3.544 1.00 43.43 H new ATOM 0 HB2 ASN A 37 0.552 -30.422 -2.425 1.00 4.10 H new ATOM 0 HB3 ASN A 37 -0.740 -29.799 -3.433 1.00 4.10 H new ATOM 0 HD21 ASN A 37 0.719 -30.800 -6.548 1.00 55.21 H new ATOM 0 HD22 ASN A 37 -0.376 -29.645 -5.781 1.00 55.21 H new ATOM 561 N GLU A 38 -0.819 -26.777 -3.460 1.00 22.14 N ATOM 562 CA GLU A 38 -1.647 -25.817 -4.180 1.00 71.31 C ATOM 563 C GLU A 38 -1.010 -24.431 -4.167 1.00 0.23 C ATOM 564 O GLU A 38 -1.401 -23.548 -4.931 1.00 64.31 O ATOM 565 CB GLU A 38 -3.046 -25.754 -3.564 1.00 12.33 C ATOM 566 CG GLU A 38 -3.515 -27.076 -2.980 1.00 40.03 C ATOM 567 CD GLU A 38 -3.588 -28.179 -4.019 1.00 12.43 C ATOM 568 OE1 GLU A 38 -4.154 -27.933 -5.105 1.00 23.12 O ATOM 569 OE2 GLU A 38 -3.081 -29.286 -3.746 1.00 23.35 O ATOM 0 H GLU A 38 -1.031 -26.854 -2.465 1.00 22.14 H new ATOM 0 HA GLU A 38 -1.728 -26.150 -5.215 1.00 71.31 H new ATOM 0 HB2 GLU A 38 -3.055 -24.997 -2.780 1.00 12.33 H new ATOM 0 HB3 GLU A 38 -3.755 -25.431 -4.326 1.00 12.33 H new ATOM 0 HG2 GLU A 38 -2.836 -27.378 -2.182 1.00 40.03 H new ATOM 0 HG3 GLU A 38 -4.498 -26.941 -2.529 1.00 40.03 H new ATOM 576 N VAL A 39 -0.027 -24.246 -3.292 1.00 25.23 N ATOM 577 CA VAL A 39 0.666 -22.968 -3.178 1.00 71.10 C ATOM 578 C VAL A 39 1.846 -22.895 -4.140 1.00 62.11 C ATOM 579 O VAL A 39 2.103 -21.855 -4.748 1.00 13.23 O ATOM 580 CB VAL A 39 1.172 -22.730 -1.743 1.00 11.40 C ATOM 581 CG1 VAL A 39 1.536 -21.267 -1.541 1.00 54.51 C ATOM 582 CG2 VAL A 39 0.127 -23.173 -0.730 1.00 4.44 C ATOM 0 H VAL A 39 0.308 -24.965 -2.651 1.00 25.23 H new ATOM 0 HA VAL A 39 -0.056 -22.193 -3.434 1.00 71.10 H new ATOM 0 HB VAL A 39 2.071 -23.327 -1.589 1.00 11.40 H new ATOM 0 HG11 VAL A 39 1.891 -21.118 -0.521 1.00 54.51 H new ATOM 0 HG12 VAL A 39 2.321 -20.987 -2.243 1.00 54.51 H new ATOM 0 HG13 VAL A 39 0.657 -20.646 -1.713 1.00 54.51 H new ATOM 0 HG21 VAL A 39 0.501 -22.998 0.279 1.00 4.44 H new ATOM 0 HG22 VAL A 39 -0.790 -22.604 -0.881 1.00 4.44 H new ATOM 0 HG23 VAL A 39 -0.079 -24.235 -0.861 1.00 4.44 H new ATOM 592 N LEU A 40 2.562 -24.006 -4.275 1.00 30.01 N ATOM 593 CA LEU A 40 3.716 -24.069 -5.164 1.00 64.25 C ATOM 594 C LEU A 40 3.364 -23.542 -6.552 1.00 23.12 C ATOM 595 O LEU A 40 4.140 -22.807 -7.163 1.00 32.43 O ATOM 596 CB LEU A 40 4.228 -25.507 -5.267 1.00 74.35 C ATOM 597 CG LEU A 40 4.893 -25.890 -6.590 1.00 30.01 C ATOM 598 CD1 LEU A 40 6.053 -24.955 -6.894 1.00 50.22 C ATOM 599 CD2 LEU A 40 5.367 -27.335 -6.550 1.00 22.44 C ATOM 0 H LEU A 40 2.363 -24.875 -3.780 1.00 30.01 H new ATOM 0 HA LEU A 40 4.501 -23.440 -4.745 1.00 64.25 H new ATOM 0 HB2 LEU A 40 4.943 -25.675 -4.462 1.00 74.35 H new ATOM 0 HB3 LEU A 40 3.390 -26.183 -5.096 1.00 74.35 H new ATOM 0 HG LEU A 40 4.156 -25.793 -7.387 1.00 30.01 H new ATOM 0 HD11 LEU A 40 6.514 -25.243 -7.839 1.00 50.22 H new ATOM 0 HD12 LEU A 40 5.686 -23.931 -6.966 1.00 50.22 H new ATOM 0 HD13 LEU A 40 6.792 -25.020 -6.095 1.00 50.22 H new ATOM 0 HD21 LEU A 40 5.838 -27.590 -7.500 1.00 22.44 H new ATOM 0 HD22 LEU A 40 6.089 -27.459 -5.743 1.00 22.44 H new ATOM 0 HD23 LEU A 40 4.515 -27.993 -6.379 1.00 22.44 H new ATOM 611 N ALA A 41 2.189 -23.921 -7.042 1.00 54.22 N ATOM 612 CA ALA A 41 1.732 -23.483 -8.355 1.00 53.13 C ATOM 613 C ALA A 41 1.304 -22.019 -8.328 1.00 23.41 C ATOM 614 O ALA A 41 1.386 -21.320 -9.337 1.00 74.34 O ATOM 615 CB ALA A 41 0.585 -24.361 -8.835 1.00 2.30 C ATOM 0 H ALA A 41 1.536 -24.530 -6.550 1.00 54.22 H new ATOM 0 HA ALA A 41 2.565 -23.578 -9.052 1.00 53.13 H new ATOM 0 HB1 ALA A 41 0.254 -24.022 -9.817 1.00 2.30 H new ATOM 0 HB2 ALA A 41 0.922 -25.395 -8.903 1.00 2.30 H new ATOM 0 HB3 ALA A 41 -0.244 -24.295 -8.130 1.00 2.30 H new ATOM 621 N ALA A 42 0.848 -21.563 -7.166 1.00 43.42 N ATOM 622 CA ALA A 42 0.409 -20.182 -7.008 1.00 4.34 C ATOM 623 C ALA A 42 1.535 -19.207 -7.337 1.00 13.30 C ATOM 624 O ALA A 42 1.300 -18.143 -7.913 1.00 20.25 O ATOM 625 CB ALA A 42 -0.097 -19.948 -5.592 1.00 25.02 C ATOM 0 H ALA A 42 0.773 -22.129 -6.321 1.00 43.42 H new ATOM 0 HA ALA A 42 -0.407 -20.004 -7.708 1.00 4.34 H new ATOM 0 HB1 ALA A 42 -0.422 -18.913 -5.488 1.00 25.02 H new ATOM 0 HB2 ALA A 42 -0.937 -20.613 -5.391 1.00 25.02 H new ATOM 0 HB3 ALA A 42 0.704 -20.150 -4.881 1.00 25.02 H new ATOM 631 N LEU A 43 2.757 -19.575 -6.968 1.00 54.42 N ATOM 632 CA LEU A 43 3.919 -18.732 -7.224 1.00 44.41 C ATOM 633 C LEU A 43 4.067 -18.446 -8.715 1.00 42.30 C ATOM 634 O LEU A 43 4.426 -17.338 -9.112 1.00 1.40 O ATOM 635 CB LEU A 43 5.187 -19.403 -6.694 1.00 24.12 C ATOM 636 CG LEU A 43 5.040 -20.173 -5.381 1.00 23.20 C ATOM 637 CD1 LEU A 43 6.406 -20.549 -4.827 1.00 33.41 C ATOM 638 CD2 LEU A 43 4.258 -19.352 -4.366 1.00 25.32 C ATOM 0 H LEU A 43 2.969 -20.451 -6.491 1.00 54.42 H new ATOM 0 HA LEU A 43 3.771 -17.785 -6.704 1.00 44.41 H new ATOM 0 HB2 LEU A 43 5.556 -20.090 -7.456 1.00 24.12 H new ATOM 0 HB3 LEU A 43 5.950 -18.637 -6.559 1.00 24.12 H new ATOM 0 HG LEU A 43 4.486 -21.091 -5.580 1.00 23.20 H new ATOM 0 HD11 LEU A 43 6.282 -21.096 -3.893 1.00 33.41 H new ATOM 0 HD12 LEU A 43 6.931 -21.176 -5.548 1.00 33.41 H new ATOM 0 HD13 LEU A 43 6.986 -19.644 -4.643 1.00 33.41 H new ATOM 0 HD21 LEU A 43 4.163 -19.916 -3.438 1.00 25.32 H new ATOM 0 HD22 LEU A 43 4.784 -18.418 -4.171 1.00 25.32 H new ATOM 0 HD23 LEU A 43 3.266 -19.134 -4.761 1.00 25.32 H new ATOM 650 N ALA A 44 3.786 -19.452 -9.536 1.00 71.20 N ATOM 651 CA ALA A 44 3.883 -19.308 -10.983 1.00 43.32 C ATOM 652 C ALA A 44 2.887 -18.276 -11.500 1.00 50.51 C ATOM 653 O ALA A 44 2.975 -17.833 -12.645 1.00 60.04 O ATOM 654 CB ALA A 44 3.657 -20.649 -11.664 1.00 23.50 C ATOM 0 H ALA A 44 3.489 -20.376 -9.223 1.00 71.20 H new ATOM 0 HA ALA A 44 4.887 -18.957 -11.221 1.00 43.32 H new ATOM 0 HB1 ALA A 44 3.732 -20.526 -12.744 1.00 23.50 H new ATOM 0 HB2 ALA A 44 4.411 -21.360 -11.326 1.00 23.50 H new ATOM 0 HB3 ALA A 44 2.665 -21.024 -11.410 1.00 23.50 H new ATOM 660 N SER A 45 1.939 -17.897 -10.649 1.00 2.52 N ATOM 661 CA SER A 45 0.923 -16.919 -11.022 1.00 30.44 C ATOM 662 C SER A 45 1.502 -15.508 -11.026 1.00 1.15 C ATOM 663 O SER A 45 1.701 -14.908 -12.082 1.00 70.33 O ATOM 664 CB SER A 45 -0.264 -16.993 -10.059 1.00 25.44 C ATOM 665 OG SER A 45 -0.734 -18.324 -9.931 1.00 12.14 O ATOM 0 H SER A 45 1.853 -18.252 -9.697 1.00 2.52 H new ATOM 0 HA SER A 45 0.580 -17.155 -12.029 1.00 30.44 H new ATOM 0 HB2 SER A 45 0.032 -16.613 -9.081 1.00 25.44 H new ATOM 0 HB3 SER A 45 -1.069 -16.353 -10.419 1.00 25.44 H new ATOM 0 HG SER A 45 -1.491 -18.345 -9.309 1.00 12.14 H new ATOM 671 N LYS A 46 1.771 -14.982 -9.835 1.00 71.32 N ATOM 672 CA LYS A 46 2.328 -13.642 -9.698 1.00 44.04 C ATOM 673 C LYS A 46 3.628 -13.672 -8.900 1.00 70.13 C ATOM 674 O LYS A 46 4.375 -12.694 -8.873 1.00 45.22 O ATOM 675 CB LYS A 46 1.320 -12.715 -9.016 1.00 71.00 C ATOM 676 CG LYS A 46 0.648 -13.335 -7.803 1.00 1.31 C ATOM 677 CD LYS A 46 -0.388 -12.400 -7.201 1.00 4.02 C ATOM 678 CE LYS A 46 0.242 -11.094 -6.739 1.00 35.51 C ATOM 679 NZ LYS A 46 0.222 -10.060 -7.810 1.00 14.22 N ATOM 0 H LYS A 46 1.612 -15.464 -8.951 1.00 71.32 H new ATOM 0 HA LYS A 46 2.544 -13.262 -10.697 1.00 44.04 H new ATOM 0 HB2 LYS A 46 1.828 -11.800 -8.711 1.00 71.00 H new ATOM 0 HB3 LYS A 46 0.555 -12.429 -9.738 1.00 71.00 H new ATOM 0 HG2 LYS A 46 0.171 -14.272 -8.090 1.00 1.31 H new ATOM 0 HG3 LYS A 46 1.401 -13.577 -7.053 1.00 1.31 H new ATOM 0 HD2 LYS A 46 -1.163 -12.191 -7.938 1.00 4.02 H new ATOM 0 HD3 LYS A 46 -0.875 -12.889 -6.357 1.00 4.02 H new ATOM 0 HE2 LYS A 46 -0.293 -10.722 -5.865 1.00 35.51 H new ATOM 0 HE3 LYS A 46 1.271 -11.277 -6.429 1.00 35.51 H new ATOM 0 HZ1 LYS A 46 1.188 -9.710 -7.972 1.00 14.22 H new ATOM 0 HZ2 LYS A 46 -0.147 -10.477 -8.688 1.00 14.22 H new ATOM 0 HZ3 LYS A 46 -0.388 -9.270 -7.518 1.00 14.22 H new ATOM 693 N THR A 47 3.893 -14.802 -8.252 1.00 30.12 N ATOM 694 CA THR A 47 5.102 -14.960 -7.454 1.00 2.34 C ATOM 695 C THR A 47 5.147 -13.944 -6.318 1.00 23.34 C ATOM 696 O THR A 47 5.384 -12.754 -6.526 1.00 34.04 O ATOM 697 CB THR A 47 6.369 -14.805 -8.316 1.00 51.43 C ATOM 698 OG1 THR A 47 6.017 -14.786 -9.704 1.00 62.32 O ATOM 699 CG2 THR A 47 7.347 -15.939 -8.051 1.00 32.14 C ATOM 0 H THR A 47 3.286 -15.622 -8.264 1.00 30.12 H new ATOM 0 HA THR A 47 5.076 -15.967 -7.037 1.00 2.34 H new ATOM 0 HB THR A 47 6.850 -13.864 -8.050 1.00 51.43 H new ATOM 0 HG1 THR A 47 5.550 -15.616 -9.934 1.00 62.32 H new ATOM 0 HG21 THR A 47 8.234 -15.807 -8.671 1.00 32.14 H new ATOM 0 HG22 THR A 47 7.635 -15.933 -7.000 1.00 32.14 H new ATOM 0 HG23 THR A 47 6.874 -16.891 -8.292 1.00 32.14 H new ATOM 707 N PRO A 48 4.916 -14.423 -5.086 1.00 4.51 N ATOM 708 CA PRO A 48 4.927 -13.572 -3.892 1.00 33.32 C ATOM 709 C PRO A 48 6.327 -13.079 -3.544 1.00 12.52 C ATOM 710 O PRO A 48 7.300 -13.419 -4.216 1.00 24.30 O ATOM 711 CB PRO A 48 4.398 -14.497 -2.793 1.00 74.50 C ATOM 712 CG PRO A 48 4.727 -15.872 -3.264 1.00 54.12 C ATOM 713 CD PRO A 48 4.628 -15.830 -4.764 1.00 60.31 C ATOM 0 HA PRO A 48 4.334 -12.668 -4.030 1.00 33.32 H new ATOM 0 HB2 PRO A 48 4.871 -14.283 -1.834 1.00 74.50 H new ATOM 0 HB3 PRO A 48 3.324 -14.373 -2.654 1.00 74.50 H new ATOM 0 HG2 PRO A 48 5.728 -16.164 -2.947 1.00 54.12 H new ATOM 0 HG3 PRO A 48 4.035 -16.603 -2.847 1.00 54.12 H new ATOM 0 HD2 PRO A 48 5.345 -16.504 -5.233 1.00 60.31 H new ATOM 0 HD3 PRO A 48 3.638 -16.127 -5.110 1.00 60.31 H new ATOM 721 N ASP A 49 6.421 -12.275 -2.490 1.00 53.12 N ATOM 722 CA ASP A 49 7.703 -11.735 -2.052 1.00 73.30 C ATOM 723 C ASP A 49 8.220 -12.488 -0.830 1.00 62.34 C ATOM 724 O ASP A 49 9.394 -12.382 -0.474 1.00 33.22 O ATOM 725 CB ASP A 49 7.570 -10.246 -1.730 1.00 41.02 C ATOM 726 CG ASP A 49 7.841 -9.367 -2.935 1.00 42.13 C ATOM 727 OD1 ASP A 49 7.419 -9.741 -4.049 1.00 71.21 O ATOM 728 OD2 ASP A 49 8.476 -8.305 -2.765 1.00 23.03 O ATOM 0 H ASP A 49 5.625 -11.983 -1.923 1.00 53.12 H new ATOM 0 HA ASP A 49 8.419 -11.860 -2.864 1.00 73.30 H new ATOM 0 HB2 ASP A 49 6.566 -10.046 -1.357 1.00 41.02 H new ATOM 0 HB3 ASP A 49 8.265 -9.987 -0.931 1.00 41.02 H new ATOM 733 N VAL A 50 7.336 -13.248 -0.192 1.00 22.52 N ATOM 734 CA VAL A 50 7.703 -14.019 0.990 1.00 23.31 C ATOM 735 C VAL A 50 6.530 -14.856 1.487 1.00 72.34 C ATOM 736 O VAL A 50 5.407 -14.363 1.604 1.00 21.43 O ATOM 737 CB VAL A 50 8.185 -13.103 2.131 1.00 41.05 C ATOM 738 CG1 VAL A 50 7.108 -12.093 2.496 1.00 75.51 C ATOM 739 CG2 VAL A 50 8.587 -13.929 3.343 1.00 11.33 C ATOM 0 H VAL A 50 6.361 -13.346 -0.474 1.00 22.52 H new ATOM 0 HA VAL A 50 8.518 -14.680 0.695 1.00 23.31 H new ATOM 0 HB VAL A 50 9.062 -12.554 1.788 1.00 41.05 H new ATOM 0 HG11 VAL A 50 7.466 -11.455 3.304 1.00 75.51 H new ATOM 0 HG12 VAL A 50 6.874 -11.480 1.626 1.00 75.51 H new ATOM 0 HG13 VAL A 50 6.211 -12.619 2.821 1.00 75.51 H new ATOM 0 HG21 VAL A 50 8.925 -13.266 4.139 1.00 11.33 H new ATOM 0 HG22 VAL A 50 7.730 -14.506 3.690 1.00 11.33 H new ATOM 0 HG23 VAL A 50 9.395 -14.608 3.069 1.00 11.33 H new ATOM 749 N LEU A 51 6.796 -16.125 1.777 1.00 3.23 N ATOM 750 CA LEU A 51 5.762 -17.032 2.263 1.00 62.15 C ATOM 751 C LEU A 51 6.093 -17.535 3.664 1.00 13.22 C ATOM 752 O LEU A 51 7.249 -17.509 4.088 1.00 60.31 O ATOM 753 CB LEU A 51 5.606 -18.217 1.307 1.00 10.42 C ATOM 754 CG LEU A 51 4.171 -18.633 0.983 1.00 13.22 C ATOM 755 CD1 LEU A 51 4.042 -19.007 -0.485 1.00 41.13 C ATOM 756 CD2 LEU A 51 3.738 -19.791 1.870 1.00 21.04 C ATOM 0 H LEU A 51 7.719 -16.549 1.684 1.00 3.23 H new ATOM 0 HA LEU A 51 4.822 -16.482 2.308 1.00 62.15 H new ATOM 0 HB2 LEU A 51 6.112 -17.974 0.373 1.00 10.42 H new ATOM 0 HB3 LEU A 51 6.124 -19.075 1.736 1.00 10.42 H new ATOM 0 HG LEU A 51 3.515 -17.785 1.180 1.00 13.22 H new ATOM 0 HD11 LEU A 51 3.014 -19.300 -0.697 1.00 41.13 H new ATOM 0 HD12 LEU A 51 4.310 -18.150 -1.104 1.00 41.13 H new ATOM 0 HD13 LEU A 51 4.710 -19.839 -0.709 1.00 41.13 H new ATOM 0 HD21 LEU A 51 2.714 -20.074 1.625 1.00 21.04 H new ATOM 0 HD22 LEU A 51 4.399 -20.642 1.705 1.00 21.04 H new ATOM 0 HD23 LEU A 51 3.791 -19.488 2.916 1.00 21.04 H new ATOM 768 N LEU A 52 5.071 -17.993 4.379 1.00 60.43 N ATOM 769 CA LEU A 52 5.253 -18.505 5.733 1.00 52.03 C ATOM 770 C LEU A 52 4.714 -19.927 5.855 1.00 41.25 C ATOM 771 O LEU A 52 3.699 -20.163 6.510 1.00 4.32 O ATOM 772 CB LEU A 52 4.552 -17.594 6.742 1.00 51.42 C ATOM 773 CG LEU A 52 4.630 -16.093 6.458 1.00 32.12 C ATOM 774 CD1 LEU A 52 3.261 -15.549 6.081 1.00 74.54 C ATOM 775 CD2 LEU A 52 5.186 -15.351 7.664 1.00 4.42 C ATOM 0 H LEU A 52 4.108 -18.020 4.044 1.00 60.43 H new ATOM 0 HA LEU A 52 6.321 -18.522 5.948 1.00 52.03 H new ATOM 0 HB2 LEU A 52 3.501 -17.880 6.791 1.00 51.42 H new ATOM 0 HB3 LEU A 52 4.979 -17.780 7.727 1.00 51.42 H new ATOM 0 HG LEU A 52 5.305 -15.937 5.616 1.00 32.12 H new ATOM 0 HD11 LEU A 52 3.336 -14.480 5.883 1.00 74.54 H new ATOM 0 HD12 LEU A 52 2.900 -16.059 5.188 1.00 74.54 H new ATOM 0 HD13 LEU A 52 2.564 -15.717 6.902 1.00 74.54 H new ATOM 0 HD21 LEU A 52 5.235 -14.284 7.444 1.00 4.42 H new ATOM 0 HD22 LEU A 52 4.536 -15.515 8.524 1.00 4.42 H new ATOM 0 HD23 LEU A 52 6.186 -15.721 7.889 1.00 4.42 H new ATOM 787 N SER A 53 5.402 -20.871 5.220 1.00 33.02 N ATOM 788 CA SER A 53 4.991 -22.270 5.256 1.00 5.11 C ATOM 789 C SER A 53 4.758 -22.731 6.692 1.00 51.25 C ATOM 790 O SER A 53 5.490 -22.349 7.605 1.00 53.32 O ATOM 791 CB SER A 53 6.051 -23.151 4.591 1.00 32.24 C ATOM 792 OG SER A 53 5.556 -24.459 4.362 1.00 14.12 O ATOM 0 H SER A 53 6.246 -20.693 4.675 1.00 33.02 H new ATOM 0 HA SER A 53 4.054 -22.363 4.707 1.00 5.11 H new ATOM 0 HB2 SER A 53 6.359 -22.704 3.645 1.00 32.24 H new ATOM 0 HB3 SER A 53 6.937 -23.200 5.224 1.00 32.24 H new ATOM 0 HG SER A 53 6.296 -25.100 4.401 1.00 14.12 H new ATOM 798 N ASP A 54 3.733 -23.554 6.882 1.00 21.22 N ATOM 799 CA ASP A 54 3.402 -24.069 8.206 1.00 60.22 C ATOM 800 C ASP A 54 3.335 -25.593 8.195 1.00 75.23 C ATOM 801 O ASP A 54 2.416 -26.179 7.620 1.00 25.32 O ATOM 802 CB ASP A 54 2.069 -23.491 8.683 1.00 50.22 C ATOM 803 CG ASP A 54 1.958 -23.463 10.195 1.00 51.44 C ATOM 804 OD1 ASP A 54 2.453 -24.408 10.844 1.00 42.40 O ATOM 805 OD2 ASP A 54 1.376 -22.495 10.728 1.00 25.13 O ATOM 0 H ASP A 54 3.117 -23.879 6.137 1.00 21.22 H new ATOM 0 HA ASP A 54 4.189 -23.763 8.895 1.00 60.22 H new ATOM 0 HB2 ASP A 54 1.955 -22.479 8.294 1.00 50.22 H new ATOM 0 HB3 ASP A 54 1.252 -24.084 8.272 1.00 50.22 H new ATOM 810 N ILE A 55 4.312 -26.228 8.832 1.00 64.33 N ATOM 811 CA ILE A 55 4.363 -27.684 8.895 1.00 45.42 C ATOM 812 C ILE A 55 3.449 -28.219 9.991 1.00 15.20 C ATOM 813 O ILE A 55 3.732 -28.066 11.179 1.00 15.14 O ATOM 814 CB ILE A 55 5.797 -28.186 9.147 1.00 22.34 C ATOM 815 CG1 ILE A 55 6.760 -27.587 8.120 1.00 75.01 C ATOM 816 CG2 ILE A 55 5.842 -29.706 9.100 1.00 73.25 C ATOM 817 CD1 ILE A 55 8.185 -27.484 8.615 1.00 0.03 C ATOM 0 H ILE A 55 5.079 -25.758 9.312 1.00 64.33 H new ATOM 0 HA ILE A 55 4.022 -28.054 7.928 1.00 45.42 H new ATOM 0 HB ILE A 55 6.109 -27.863 10.140 1.00 22.34 H new ATOM 0 HG12 ILE A 55 6.741 -28.197 7.217 1.00 75.01 H new ATOM 0 HG13 ILE A 55 6.408 -26.594 7.841 1.00 75.01 H new ATOM 0 HG21 ILE A 55 6.862 -30.046 9.280 1.00 73.25 H new ATOM 0 HG22 ILE A 55 5.183 -30.113 9.867 1.00 73.25 H new ATOM 0 HG23 ILE A 55 5.513 -30.050 8.119 1.00 73.25 H new ATOM 0 HD11 ILE A 55 8.811 -27.051 7.835 1.00 0.03 H new ATOM 0 HD12 ILE A 55 8.218 -26.849 9.500 1.00 0.03 H new ATOM 0 HD13 ILE A 55 8.555 -28.478 8.867 1.00 0.03 H new ATOM 920 N GLY A 62 5.359 -30.798 4.743 1.00 12.15 N ATOM 921 CA GLY A 62 5.446 -29.366 4.964 1.00 65.22 C ATOM 922 C GLY A 62 6.626 -28.740 4.246 1.00 32.31 C ATOM 923 O GLY A 62 6.459 -27.814 3.452 1.00 55.31 O ATOM 0 HA2 GLY A 62 4.525 -28.892 4.625 1.00 65.22 H new ATOM 0 HA3 GLY A 62 5.530 -29.171 6.033 1.00 65.22 H new ATOM 927 N LEU A 63 7.822 -29.245 4.526 1.00 23.11 N ATOM 928 CA LEU A 63 9.036 -28.728 3.903 1.00 73.45 C ATOM 929 C LEU A 63 9.241 -29.341 2.521 1.00 61.02 C ATOM 930 O LEU A 63 10.040 -28.848 1.725 1.00 71.10 O ATOM 931 CB LEU A 63 10.250 -29.018 4.787 1.00 51.52 C ATOM 932 CG LEU A 63 10.235 -30.353 5.531 1.00 25.20 C ATOM 933 CD1 LEU A 63 9.987 -31.500 4.564 1.00 22.41 C ATOM 934 CD2 LEU A 63 11.543 -30.560 6.282 1.00 50.52 C ATOM 0 H LEU A 63 7.978 -30.012 5.180 1.00 23.11 H new ATOM 0 HA LEU A 63 8.926 -27.649 3.790 1.00 73.45 H new ATOM 0 HB2 LEU A 63 11.144 -28.982 4.165 1.00 51.52 H new ATOM 0 HB3 LEU A 63 10.340 -28.217 5.521 1.00 51.52 H new ATOM 0 HG LEU A 63 9.422 -30.334 6.256 1.00 25.20 H new ATOM 0 HD11 LEU A 63 9.980 -32.442 5.112 1.00 22.41 H new ATOM 0 HD12 LEU A 63 9.025 -31.359 4.071 1.00 22.41 H new ATOM 0 HD13 LEU A 63 10.778 -31.522 3.815 1.00 22.41 H new ATOM 0 HD21 LEU A 63 11.514 -31.515 6.806 1.00 50.52 H new ATOM 0 HD22 LEU A 63 12.373 -30.558 5.575 1.00 50.52 H new ATOM 0 HD23 LEU A 63 11.680 -29.755 7.004 1.00 50.52 H new ATOM 946 N ALA A 64 8.513 -30.417 2.242 1.00 20.42 N ATOM 947 CA ALA A 64 8.612 -31.095 0.955 1.00 2.43 C ATOM 948 C ALA A 64 8.590 -30.094 -0.195 1.00 10.31 C ATOM 949 O ALA A 64 9.455 -30.121 -1.072 1.00 13.53 O ATOM 950 CB ALA A 64 7.484 -32.103 0.801 1.00 33.55 C ATOM 0 H ALA A 64 7.848 -30.838 2.890 1.00 20.42 H new ATOM 0 HA ALA A 64 9.564 -31.625 0.924 1.00 2.43 H new ATOM 0 HB1 ALA A 64 7.571 -32.601 -0.164 1.00 33.55 H new ATOM 0 HB2 ALA A 64 7.546 -32.843 1.599 1.00 33.55 H new ATOM 0 HB3 ALA A 64 6.525 -31.588 0.858 1.00 33.55 H new ATOM 956 N LEU A 65 7.596 -29.212 -0.187 1.00 4.05 N ATOM 957 CA LEU A 65 7.461 -28.202 -1.230 1.00 40.22 C ATOM 958 C LEU A 65 8.407 -27.032 -0.982 1.00 4.35 C ATOM 959 O LEU A 65 8.767 -26.303 -1.907 1.00 1.41 O ATOM 960 CB LEU A 65 6.018 -27.700 -1.297 1.00 54.34 C ATOM 961 CG LEU A 65 5.725 -26.398 -0.551 1.00 55.43 C ATOM 962 CD1 LEU A 65 4.312 -25.918 -0.849 1.00 22.44 C ATOM 963 CD2 LEU A 65 5.922 -26.585 0.946 1.00 42.31 C ATOM 0 H LEU A 65 6.872 -29.176 0.531 1.00 4.05 H new ATOM 0 HA LEU A 65 7.724 -28.662 -2.182 1.00 40.22 H new ATOM 0 HB2 LEU A 65 5.750 -27.563 -2.345 1.00 54.34 H new ATOM 0 HB3 LEU A 65 5.365 -28.477 -0.900 1.00 54.34 H new ATOM 0 HG LEU A 65 6.425 -25.638 -0.897 1.00 55.43 H new ATOM 0 HD11 LEU A 65 4.121 -24.990 -0.309 1.00 22.44 H new ATOM 0 HD12 LEU A 65 4.205 -25.744 -1.920 1.00 22.44 H new ATOM 0 HD13 LEU A 65 3.596 -26.676 -0.532 1.00 22.44 H new ATOM 0 HD21 LEU A 65 5.709 -25.648 1.461 1.00 42.31 H new ATOM 0 HD22 LEU A 65 5.246 -27.360 1.308 1.00 42.31 H new ATOM 0 HD23 LEU A 65 6.952 -26.881 1.143 1.00 42.31 H new ATOM 975 N LEU A 66 8.809 -26.859 0.273 1.00 40.11 N ATOM 976 CA LEU A 66 9.716 -25.778 0.644 1.00 64.42 C ATOM 977 C LEU A 66 11.096 -25.991 0.029 1.00 40.42 C ATOM 978 O LEU A 66 11.735 -25.044 -0.431 1.00 63.20 O ATOM 979 CB LEU A 66 9.833 -25.684 2.166 1.00 0.20 C ATOM 980 CG LEU A 66 10.028 -24.279 2.738 1.00 32.33 C ATOM 981 CD1 LEU A 66 10.986 -23.478 1.871 1.00 10.31 C ATOM 982 CD2 LEU A 66 8.691 -23.563 2.861 1.00 34.31 C ATOM 0 H LEU A 66 8.521 -27.453 1.050 1.00 40.11 H new ATOM 0 HA LEU A 66 9.306 -24.844 0.259 1.00 64.42 H new ATOM 0 HB2 LEU A 66 8.933 -26.113 2.607 1.00 0.20 H new ATOM 0 HB3 LEU A 66 10.671 -26.304 2.485 1.00 0.20 H new ATOM 0 HG LEU A 66 10.462 -24.370 3.734 1.00 32.33 H new ATOM 0 HD11 LEU A 66 11.112 -22.481 2.294 1.00 10.31 H new ATOM 0 HD12 LEU A 66 11.952 -23.982 1.835 1.00 10.31 H new ATOM 0 HD13 LEU A 66 10.582 -23.396 0.862 1.00 10.31 H new ATOM 0 HD21 LEU A 66 8.849 -22.565 3.270 1.00 34.31 H new ATOM 0 HD22 LEU A 66 8.229 -23.483 1.877 1.00 34.31 H new ATOM 0 HD23 LEU A 66 8.036 -24.127 3.525 1.00 34.31 H new ATOM 994 N LYS A 67 11.549 -27.240 0.022 1.00 41.31 N ATOM 995 CA LYS A 67 12.851 -27.579 -0.540 1.00 4.54 C ATOM 996 C LYS A 67 12.956 -27.116 -1.989 1.00 51.13 C ATOM 997 O LYS A 67 14.052 -26.886 -2.499 1.00 23.22 O ATOM 998 CB LYS A 67 13.088 -29.088 -0.457 1.00 23.24 C ATOM 999 CG LYS A 67 13.171 -29.614 0.966 1.00 1.52 C ATOM 1000 CD LYS A 67 14.306 -28.960 1.737 1.00 61.13 C ATOM 1001 CE LYS A 67 15.651 -29.223 1.077 1.00 43.41 C ATOM 1002 NZ LYS A 67 16.787 -28.859 1.969 1.00 51.42 N ATOM 0 H LYS A 67 11.033 -28.035 0.400 1.00 41.31 H new ATOM 0 HA LYS A 67 13.615 -27.065 0.043 1.00 4.54 H new ATOM 0 HB2 LYS A 67 12.282 -29.603 -0.979 1.00 23.24 H new ATOM 0 HB3 LYS A 67 14.013 -29.331 -0.980 1.00 23.24 H new ATOM 0 HG2 LYS A 67 12.227 -29.429 1.479 1.00 1.52 H new ATOM 0 HG3 LYS A 67 13.317 -30.694 0.948 1.00 1.52 H new ATOM 0 HD2 LYS A 67 14.134 -27.885 1.799 1.00 61.13 H new ATOM 0 HD3 LYS A 67 14.320 -29.340 2.759 1.00 61.13 H new ATOM 0 HE2 LYS A 67 15.724 -30.277 0.808 1.00 43.41 H new ATOM 0 HE3 LYS A 67 15.719 -28.652 0.151 1.00 43.41 H new ATOM 0 HZ1 LYS A 67 17.686 -29.053 1.483 1.00 51.42 H new ATOM 0 HZ2 LYS A 67 16.732 -27.848 2.206 1.00 51.42 H new ATOM 0 HZ3 LYS A 67 16.737 -29.422 2.842 1.00 51.42 H new ATOM 1016 N GLN A 68 11.809 -26.980 -2.647 1.00 34.34 N ATOM 1017 CA GLN A 68 11.773 -26.544 -4.037 1.00 73.15 C ATOM 1018 C GLN A 68 11.752 -25.022 -4.130 1.00 50.12 C ATOM 1019 O GLN A 68 12.171 -24.446 -5.135 1.00 32.02 O ATOM 1020 CB GLN A 68 10.548 -27.127 -4.745 1.00 41.32 C ATOM 1021 CG GLN A 68 9.376 -26.162 -4.826 1.00 32.34 C ATOM 1022 CD GLN A 68 9.429 -25.280 -6.057 1.00 45.30 C ATOM 1023 OE1 GLN A 68 9.956 -25.676 -7.097 1.00 22.51 O ATOM 1024 NE2 GLN A 68 8.883 -24.075 -5.946 1.00 50.52 N ATOM 0 H GLN A 68 10.893 -27.166 -2.239 1.00 34.34 H new ATOM 0 HA GLN A 68 12.675 -26.907 -4.529 1.00 73.15 H new ATOM 0 HB2 GLN A 68 10.831 -27.428 -5.754 1.00 41.32 H new ATOM 0 HB3 GLN A 68 10.230 -28.028 -4.221 1.00 41.32 H new ATOM 0 HG2 GLN A 68 8.444 -26.728 -4.829 1.00 32.34 H new ATOM 0 HG3 GLN A 68 9.365 -25.535 -3.935 1.00 32.34 H new ATOM 0 HE21 GLN A 68 8.457 -23.787 -5.065 1.00 50.52 H new ATOM 0 HE22 GLN A 68 8.890 -23.437 -6.742 1.00 50.52 H new ATOM 1033 N ILE A 69 11.262 -24.377 -3.077 1.00 40.41 N ATOM 1034 CA ILE A 69 11.188 -22.921 -3.040 1.00 73.42 C ATOM 1035 C ILE A 69 12.574 -22.297 -3.160 1.00 12.04 C ATOM 1036 O ILE A 69 12.720 -21.165 -3.622 1.00 73.42 O ATOM 1037 CB ILE A 69 10.523 -22.424 -1.743 1.00 21.32 C ATOM 1038 CG1 ILE A 69 9.096 -22.965 -1.635 1.00 70.54 C ATOM 1039 CG2 ILE A 69 10.524 -20.904 -1.696 1.00 53.34 C ATOM 1040 CD1 ILE A 69 8.385 -22.547 -0.367 1.00 60.34 C ATOM 0 H ILE A 69 10.910 -24.839 -2.238 1.00 40.41 H new ATOM 0 HA ILE A 69 10.580 -22.614 -3.891 1.00 73.42 H new ATOM 0 HB ILE A 69 11.097 -22.795 -0.894 1.00 21.32 H new ATOM 0 HG12 ILE A 69 8.520 -22.622 -2.495 1.00 70.54 H new ATOM 0 HG13 ILE A 69 9.124 -24.054 -1.684 1.00 70.54 H new ATOM 0 HG21 ILE A 69 10.051 -20.568 -0.773 1.00 53.34 H new ATOM 0 HG22 ILE A 69 11.551 -20.540 -1.731 1.00 53.34 H new ATOM 0 HG23 ILE A 69 9.971 -20.513 -2.550 1.00 53.34 H new ATOM 0 HD11 ILE A 69 7.379 -22.967 -0.359 1.00 60.34 H new ATOM 0 HD12 ILE A 69 8.938 -22.913 0.498 1.00 60.34 H new ATOM 0 HD13 ILE A 69 8.325 -21.459 -0.325 1.00 60.34 H new ATOM 1052 N LYS A 70 13.591 -23.043 -2.741 1.00 14.32 N ATOM 1053 CA LYS A 70 14.967 -22.565 -2.803 1.00 31.21 C ATOM 1054 C LYS A 70 15.539 -22.734 -4.207 1.00 34.21 C ATOM 1055 O LYS A 70 16.422 -21.984 -4.621 1.00 54.30 O ATOM 1056 CB LYS A 70 15.836 -23.318 -1.793 1.00 32.11 C ATOM 1057 CG LYS A 70 15.290 -23.283 -0.376 1.00 21.12 C ATOM 1058 CD LYS A 70 15.581 -21.954 0.301 1.00 25.43 C ATOM 1059 CE LYS A 70 14.469 -21.562 1.261 1.00 32.22 C ATOM 1060 NZ LYS A 70 14.355 -20.084 1.405 1.00 64.32 N ATOM 0 H LYS A 70 13.488 -23.981 -2.355 1.00 14.32 H new ATOM 0 HA LYS A 70 14.968 -21.504 -2.554 1.00 31.21 H new ATOM 0 HB2 LYS A 70 15.931 -24.356 -2.111 1.00 32.11 H new ATOM 0 HB3 LYS A 70 16.838 -22.890 -1.798 1.00 32.11 H new ATOM 0 HG2 LYS A 70 14.214 -23.454 -0.395 1.00 21.12 H new ATOM 0 HG3 LYS A 70 15.731 -24.093 0.205 1.00 21.12 H new ATOM 0 HD2 LYS A 70 16.525 -22.019 0.843 1.00 25.43 H new ATOM 0 HD3 LYS A 70 15.701 -21.178 -0.455 1.00 25.43 H new ATOM 0 HE2 LYS A 70 13.522 -21.966 0.904 1.00 32.22 H new ATOM 0 HE3 LYS A 70 14.658 -22.008 2.237 1.00 32.22 H new ATOM 0 HZ1 LYS A 70 14.219 -19.842 2.407 1.00 64.32 H new ATOM 0 HZ2 LYS A 70 15.224 -19.633 1.055 1.00 64.32 H new ATOM 0 HZ3 LYS A 70 13.542 -19.743 0.853 1.00 64.32 H new ATOM 1074 N GLN A 71 15.028 -23.723 -4.934 1.00 1.03 N ATOM 1075 CA GLN A 71 15.488 -23.989 -6.292 1.00 4.35 C ATOM 1076 C GLN A 71 14.667 -23.203 -7.308 1.00 43.53 C ATOM 1077 O GLN A 71 15.160 -22.852 -8.381 1.00 31.22 O ATOM 1078 CB GLN A 71 15.404 -25.485 -6.598 1.00 30.04 C ATOM 1079 CG GLN A 71 16.168 -25.895 -7.847 1.00 14.44 C ATOM 1080 CD GLN A 71 17.262 -26.903 -7.557 1.00 40.22 C ATOM 1081 OE1 GLN A 71 17.849 -26.906 -6.475 1.00 34.04 O ATOM 1082 NE2 GLN A 71 17.543 -27.766 -8.526 1.00 61.31 N ATOM 0 H GLN A 71 14.296 -24.353 -4.605 1.00 1.03 H new ATOM 0 HA GLN A 71 16.527 -23.669 -6.366 1.00 4.35 H new ATOM 0 HB2 GLN A 71 15.791 -26.044 -5.746 1.00 30.04 H new ATOM 0 HB3 GLN A 71 14.357 -25.765 -6.714 1.00 30.04 H new ATOM 0 HG2 GLN A 71 15.472 -26.318 -8.571 1.00 14.44 H new ATOM 0 HG3 GLN A 71 16.607 -25.010 -8.307 1.00 14.44 H new ATOM 0 HE21 GLN A 71 17.031 -27.728 -9.407 1.00 61.31 H new ATOM 0 HE22 GLN A 71 18.271 -28.468 -8.389 1.00 61.31 H new ATOM 1091 N ARG A 72 13.413 -22.929 -6.964 1.00 61.02 N ATOM 1092 CA ARG A 72 12.523 -22.186 -7.848 1.00 2.41 C ATOM 1093 C ARG A 72 12.551 -20.696 -7.520 1.00 4.32 C ATOM 1094 O ARG A 72 12.368 -19.852 -8.398 1.00 73.20 O ATOM 1095 CB ARG A 72 11.093 -22.717 -7.732 1.00 25.32 C ATOM 1096 CG ARG A 72 10.223 -22.392 -8.935 1.00 0.35 C ATOM 1097 CD ARG A 72 9.244 -23.516 -9.234 1.00 51.13 C ATOM 1098 NE ARG A 72 8.810 -23.506 -10.629 1.00 33.34 N ATOM 1099 CZ ARG A 72 7.918 -22.650 -11.115 1.00 2.12 C ATOM 1100 NH1 ARG A 72 7.370 -21.738 -10.324 1.00 33.34 N ATOM 1101 NH2 ARG A 72 7.574 -22.704 -12.395 1.00 42.02 N ATOM 0 H ARG A 72 12.990 -23.210 -6.079 1.00 61.02 H new ATOM 0 HA ARG A 72 12.872 -22.323 -8.872 1.00 2.41 H new ATOM 0 HB2 ARG A 72 11.126 -23.798 -7.600 1.00 25.32 H new ATOM 0 HB3 ARG A 72 10.631 -22.300 -6.837 1.00 25.32 H new ATOM 0 HG2 ARG A 72 9.673 -21.469 -8.749 1.00 0.35 H new ATOM 0 HG3 ARG A 72 10.855 -22.217 -9.806 1.00 0.35 H new ATOM 0 HD2 ARG A 72 9.711 -24.474 -9.006 1.00 51.13 H new ATOM 0 HD3 ARG A 72 8.375 -23.423 -8.583 1.00 51.13 H new ATOM 0 HE ARG A 72 9.214 -24.194 -11.265 1.00 33.34 H new ATOM 0 HH11 ARG A 72 7.633 -21.692 -9.340 1.00 33.34 H new ATOM 0 HH12 ARG A 72 6.685 -21.082 -10.700 1.00 33.34 H new ATOM 0 HH21 ARG A 72 7.994 -23.403 -13.007 1.00 42.02 H new ATOM 0 HH22 ARG A 72 6.889 -22.046 -12.767 1.00 42.02 H new ATOM 1115 N HIS A 73 12.782 -20.379 -6.250 1.00 1.14 N ATOM 1116 CA HIS A 73 12.834 -18.991 -5.805 1.00 44.42 C ATOM 1117 C HIS A 73 13.905 -18.803 -4.735 1.00 1.23 C ATOM 1118 O HIS A 73 13.612 -18.663 -3.547 1.00 42.41 O ATOM 1119 CB HIS A 73 11.473 -18.555 -5.263 1.00 52.12 C ATOM 1120 CG HIS A 73 10.318 -19.044 -6.082 1.00 11.21 C ATOM 1121 ND1 HIS A 73 9.877 -18.402 -7.220 1.00 64.44 N ATOM 1122 CD2 HIS A 73 9.512 -20.120 -5.923 1.00 3.24 C ATOM 1123 CE1 HIS A 73 8.850 -19.062 -7.725 1.00 12.31 C ATOM 1124 NE2 HIS A 73 8.608 -20.108 -6.956 1.00 64.42 N ATOM 0 H HIS A 73 12.936 -21.065 -5.511 1.00 1.14 H new ATOM 0 HA HIS A 73 13.090 -18.370 -6.663 1.00 44.42 H new ATOM 0 HB2 HIS A 73 11.364 -18.920 -4.242 1.00 52.12 H new ATOM 0 HB3 HIS A 73 11.441 -17.466 -5.218 1.00 52.12 H new ATOM 0 HD1 HIS A 73 10.281 -17.551 -7.611 1.00 64.44 H new ATOM 0 HD2 HIS A 73 9.570 -20.852 -5.131 1.00 3.24 H new ATOM 0 HE1 HIS A 73 8.302 -18.792 -8.615 1.00 12.31 H new ATOM 1132 N PRO A 74 15.176 -18.800 -5.162 1.00 64.34 N ATOM 1133 CA PRO A 74 16.316 -18.631 -4.256 1.00 42.12 C ATOM 1134 C PRO A 74 16.401 -17.218 -3.689 1.00 42.15 C ATOM 1135 O PRO A 74 16.668 -17.030 -2.503 1.00 24.10 O ATOM 1136 CB PRO A 74 17.525 -18.923 -5.149 1.00 2.25 C ATOM 1137 CG PRO A 74 17.061 -18.611 -6.529 1.00 71.34 C ATOM 1138 CD PRO A 74 15.599 -18.962 -6.564 1.00 20.13 C ATOM 0 HA PRO A 74 16.245 -19.283 -3.385 1.00 42.12 H new ATOM 0 HB2 PRO A 74 18.381 -18.308 -4.871 1.00 2.25 H new ATOM 0 HB3 PRO A 74 17.839 -19.963 -5.063 1.00 2.25 H new ATOM 0 HG2 PRO A 74 17.215 -17.558 -6.764 1.00 71.34 H new ATOM 0 HG3 PRO A 74 17.618 -19.187 -7.268 1.00 71.34 H new ATOM 0 HD2 PRO A 74 15.043 -18.302 -7.230 1.00 20.13 H new ATOM 0 HD3 PRO A 74 15.439 -19.981 -6.917 1.00 20.13 H new ATOM 1146 N MET A 75 16.172 -16.227 -4.545 1.00 73.22 N ATOM 1147 CA MET A 75 16.221 -14.831 -4.128 1.00 51.30 C ATOM 1148 C MET A 75 14.963 -14.450 -3.354 1.00 20.04 C ATOM 1149 O MET A 75 14.844 -13.330 -2.855 1.00 52.02 O ATOM 1150 CB MET A 75 16.380 -13.918 -5.345 1.00 43.13 C ATOM 1151 CG MET A 75 15.327 -14.145 -6.417 1.00 52.13 C ATOM 1152 SD MET A 75 14.150 -12.784 -6.534 1.00 33.04 S ATOM 1153 CE MET A 75 12.681 -13.547 -5.848 1.00 5.24 C ATOM 0 H MET A 75 15.951 -16.365 -5.531 1.00 73.22 H new ATOM 0 HA MET A 75 17.082 -14.704 -3.472 1.00 51.30 H new ATOM 0 HB2 MET A 75 16.335 -12.879 -5.018 1.00 43.13 H new ATOM 0 HB3 MET A 75 17.368 -14.073 -5.779 1.00 43.13 H new ATOM 0 HG2 MET A 75 15.818 -14.279 -7.381 1.00 52.13 H new ATOM 0 HG3 MET A 75 14.789 -15.068 -6.202 1.00 52.13 H new ATOM 0 HE1 MET A 75 11.848 -12.846 -5.901 1.00 5.24 H new ATOM 0 HE2 MET A 75 12.437 -14.444 -6.417 1.00 5.24 H new ATOM 0 HE3 MET A 75 12.863 -13.816 -4.807 1.00 5.24 H new ATOM 1163 N LEU A 76 14.027 -15.388 -3.257 1.00 1.34 N ATOM 1164 CA LEU A 76 12.777 -15.150 -2.543 1.00 23.24 C ATOM 1165 C LEU A 76 12.867 -15.653 -1.105 1.00 42.03 C ATOM 1166 O LEU A 76 13.036 -16.845 -0.848 1.00 74.21 O ATOM 1167 CB LEU A 76 11.617 -15.838 -3.264 1.00 15.42 C ATOM 1168 CG LEU A 76 10.244 -15.706 -2.603 1.00 53.03 C ATOM 1169 CD1 LEU A 76 9.669 -14.318 -2.839 1.00 53.02 C ATOM 1170 CD2 LEU A 76 9.295 -16.774 -3.127 1.00 62.42 C ATOM 0 H LEU A 76 14.110 -16.320 -3.663 1.00 1.34 H new ATOM 0 HA LEU A 76 12.598 -14.075 -2.522 1.00 23.24 H new ATOM 0 HB2 LEU A 76 11.552 -15.434 -4.274 1.00 15.42 H new ATOM 0 HB3 LEU A 76 11.852 -16.898 -3.359 1.00 15.42 H new ATOM 0 HG LEU A 76 10.364 -15.850 -1.529 1.00 53.03 H new ATOM 0 HD11 LEU A 76 8.692 -14.243 -2.361 1.00 53.02 H new ATOM 0 HD12 LEU A 76 10.339 -13.570 -2.415 1.00 53.02 H new ATOM 0 HD13 LEU A 76 9.564 -14.145 -3.910 1.00 53.02 H new ATOM 0 HD21 LEU A 76 8.323 -16.665 -2.646 1.00 62.42 H new ATOM 0 HD22 LEU A 76 9.181 -16.662 -4.205 1.00 62.42 H new ATOM 0 HD23 LEU A 76 9.701 -17.761 -2.906 1.00 62.42 H new ATOM 1182 N PRO A 77 12.750 -14.724 -0.145 1.00 22.12 N ATOM 1183 CA PRO A 77 12.812 -15.050 1.283 1.00 3.21 C ATOM 1184 C PRO A 77 11.590 -15.831 1.753 1.00 0.23 C ATOM 1185 O PRO A 77 10.471 -15.581 1.305 1.00 11.34 O ATOM 1186 CB PRO A 77 12.862 -13.677 1.958 1.00 11.12 C ATOM 1187 CG PRO A 77 12.211 -12.754 0.987 1.00 11.42 C ATOM 1188 CD PRO A 77 12.548 -13.284 -0.379 1.00 33.52 C ATOM 0 HA PRO A 77 13.664 -15.688 1.519 1.00 3.21 H new ATOM 0 HB2 PRO A 77 12.334 -13.685 2.912 1.00 11.12 H new ATOM 0 HB3 PRO A 77 13.889 -13.375 2.165 1.00 11.12 H new ATOM 0 HG2 PRO A 77 11.132 -12.725 1.139 1.00 11.42 H new ATOM 0 HG3 PRO A 77 12.577 -11.735 1.111 1.00 11.42 H new ATOM 0 HD2 PRO A 77 11.743 -13.101 -1.091 1.00 33.52 H new ATOM 0 HD3 PRO A 77 13.444 -12.813 -0.783 1.00 33.52 H new ATOM 1196 N VAL A 78 11.811 -16.778 2.659 1.00 21.13 N ATOM 1197 CA VAL A 78 10.727 -17.595 3.192 1.00 40.14 C ATOM 1198 C VAL A 78 10.891 -17.817 4.691 1.00 64.12 C ATOM 1199 O VAL A 78 11.991 -17.688 5.231 1.00 54.13 O ATOM 1200 CB VAL A 78 10.656 -18.962 2.486 1.00 71.11 C ATOM 1201 CG1 VAL A 78 9.364 -19.681 2.843 1.00 21.24 C ATOM 1202 CG2 VAL A 78 10.781 -18.791 0.980 1.00 41.15 C ATOM 0 H VAL A 78 12.731 -16.999 3.039 1.00 21.13 H new ATOM 0 HA VAL A 78 9.801 -17.051 3.008 1.00 40.14 H new ATOM 0 HB VAL A 78 11.491 -19.572 2.830 1.00 71.11 H new ATOM 0 HG11 VAL A 78 9.332 -20.645 2.335 1.00 21.24 H new ATOM 0 HG12 VAL A 78 9.320 -19.837 3.921 1.00 21.24 H new ATOM 0 HG13 VAL A 78 8.513 -19.077 2.529 1.00 21.24 H new ATOM 0 HG21 VAL A 78 10.729 -19.767 0.497 1.00 41.15 H new ATOM 0 HG22 VAL A 78 9.968 -18.162 0.616 1.00 41.15 H new ATOM 0 HG23 VAL A 78 11.736 -18.321 0.745 1.00 41.15 H new ATOM 1212 N ILE A 79 9.792 -18.152 5.358 1.00 61.23 N ATOM 1213 CA ILE A 79 9.815 -18.394 6.795 1.00 70.01 C ATOM 1214 C ILE A 79 9.083 -19.685 7.147 1.00 52.51 C ATOM 1215 O ILE A 79 7.966 -19.922 6.685 1.00 65.42 O ATOM 1216 CB ILE A 79 9.178 -17.227 7.572 1.00 31.23 C ATOM 1217 CG1 ILE A 79 9.858 -15.907 7.202 1.00 32.41 C ATOM 1218 CG2 ILE A 79 9.271 -17.475 9.070 1.00 22.34 C ATOM 1219 CD1 ILE A 79 8.977 -14.695 7.408 1.00 32.22 C ATOM 0 H ILE A 79 8.874 -18.262 4.926 1.00 61.23 H new ATOM 0 HA ILE A 79 10.862 -18.483 7.084 1.00 70.01 H new ATOM 0 HB ILE A 79 8.125 -17.160 7.299 1.00 31.23 H new ATOM 0 HG12 ILE A 79 10.763 -15.794 7.799 1.00 32.41 H new ATOM 0 HG13 ILE A 79 10.168 -15.948 6.158 1.00 32.41 H new ATOM 0 HG21 ILE A 79 8.817 -16.642 9.606 1.00 22.34 H new ATOM 0 HG22 ILE A 79 8.745 -18.397 9.320 1.00 22.34 H new ATOM 0 HG23 ILE A 79 10.318 -17.565 9.360 1.00 22.34 H new ATOM 0 HD11 ILE A 79 9.524 -13.795 7.126 1.00 32.22 H new ATOM 0 HD12 ILE A 79 8.084 -14.785 6.790 1.00 32.22 H new ATOM 0 HD13 ILE A 79 8.688 -14.629 8.457 1.00 32.22 H new ATOM 1231 N ILE A 80 9.718 -20.513 7.969 1.00 71.33 N ATOM 1232 CA ILE A 80 9.126 -21.778 8.385 1.00 35.31 C ATOM 1233 C ILE A 80 8.432 -21.642 9.736 1.00 22.15 C ATOM 1234 O ILE A 80 8.927 -20.959 10.633 1.00 74.21 O ATOM 1235 CB ILE A 80 10.184 -22.893 8.474 1.00 60.41 C ATOM 1236 CG1 ILE A 80 10.574 -23.369 7.073 1.00 72.31 C ATOM 1237 CG2 ILE A 80 9.662 -24.054 9.307 1.00 32.23 C ATOM 1238 CD1 ILE A 80 9.584 -24.340 6.467 1.00 11.51 C ATOM 0 H ILE A 80 10.642 -20.331 8.360 1.00 71.33 H new ATOM 0 HA ILE A 80 8.391 -22.046 7.627 1.00 35.31 H new ATOM 0 HB ILE A 80 11.072 -22.492 8.962 1.00 60.41 H new ATOM 0 HG12 ILE A 80 10.669 -22.503 6.417 1.00 72.31 H new ATOM 0 HG13 ILE A 80 11.554 -23.843 7.119 1.00 72.31 H new ATOM 0 HG21 ILE A 80 10.422 -24.834 9.360 1.00 32.23 H new ATOM 0 HG22 ILE A 80 9.429 -23.704 10.313 1.00 32.23 H new ATOM 0 HG23 ILE A 80 8.760 -24.457 8.845 1.00 32.23 H new ATOM 0 HD11 ILE A 80 9.925 -24.635 5.474 1.00 11.51 H new ATOM 0 HD12 ILE A 80 9.506 -25.223 7.101 1.00 11.51 H new ATOM 0 HD13 ILE A 80 8.607 -23.862 6.388 1.00 11.51 H new ATOM 1250 N MET A 81 7.285 -22.298 9.876 1.00 70.55 N ATOM 1251 CA MET A 81 6.525 -22.253 11.119 1.00 30.13 C ATOM 1252 C MET A 81 6.114 -23.655 11.557 1.00 74.34 C ATOM 1253 O MET A 81 5.432 -24.372 10.822 1.00 43.40 O ATOM 1254 CB MET A 81 5.284 -21.374 10.952 1.00 42.20 C ATOM 1255 CG MET A 81 5.522 -20.145 10.090 1.00 40.14 C ATOM 1256 SD MET A 81 4.061 -19.097 9.956 1.00 10.31 S ATOM 1257 CE MET A 81 2.869 -20.259 9.295 1.00 25.32 C ATOM 0 H MET A 81 6.861 -22.867 9.143 1.00 70.55 H new ATOM 0 HA MET A 81 7.164 -21.824 11.890 1.00 30.13 H new ATOM 0 HB2 MET A 81 4.484 -21.969 10.510 1.00 42.20 H new ATOM 0 HB3 MET A 81 4.939 -21.056 11.936 1.00 42.20 H new ATOM 0 HG2 MET A 81 6.343 -19.565 10.510 1.00 40.14 H new ATOM 0 HG3 MET A 81 5.831 -20.459 9.093 1.00 40.14 H new ATOM 0 HE1 MET A 81 2.352 -19.808 8.448 1.00 25.32 H new ATOM 0 HE2 MET A 81 3.384 -21.162 8.967 1.00 25.32 H new ATOM 0 HE3 MET A 81 2.144 -20.516 10.067 1.00 25.32 H new ATOM 1267 N THR A 82 6.532 -24.043 12.758 1.00 52.43 N ATOM 1268 CA THR A 82 6.208 -25.359 13.292 1.00 62.53 C ATOM 1269 C THR A 82 6.548 -25.450 14.775 1.00 11.10 C ATOM 1270 O THR A 82 5.724 -25.871 15.586 1.00 75.13 O ATOM 1271 CB THR A 82 6.959 -26.472 12.536 1.00 33.20 C ATOM 1272 OG1 THR A 82 6.785 -27.724 13.209 1.00 71.44 O ATOM 1273 CG2 THR A 82 8.442 -26.149 12.430 1.00 35.22 C ATOM 0 H THR A 82 7.096 -23.463 13.379 1.00 52.43 H new ATOM 0 HA THR A 82 5.135 -25.499 13.159 1.00 62.53 H new ATOM 0 HB THR A 82 6.546 -26.540 11.530 1.00 33.20 H new ATOM 0 HG1 THR A 82 6.701 -28.442 12.547 1.00 71.44 H new ATOM 0 HG21 THR A 82 8.951 -26.949 11.893 1.00 35.22 H new ATOM 0 HG22 THR A 82 8.572 -25.210 11.892 1.00 35.22 H new ATOM 0 HG23 THR A 82 8.867 -26.056 13.430 1.00 35.22 H new ATOM 1281 N ALA A 83 7.767 -25.051 15.123 1.00 31.15 N ATOM 1282 CA ALA A 83 8.214 -25.085 16.510 1.00 3.33 C ATOM 1283 C ALA A 83 8.317 -26.518 17.019 1.00 23.53 C ATOM 1284 O ALA A 83 8.146 -27.472 16.259 1.00 54.21 O ATOM 1285 CB ALA A 83 7.271 -24.277 17.389 1.00 34.11 C ATOM 0 H ALA A 83 8.462 -24.701 14.464 1.00 31.15 H new ATOM 0 HA ALA A 83 9.207 -24.639 16.556 1.00 3.33 H new ATOM 0 HB1 ALA A 83 7.617 -24.311 18.422 1.00 34.11 H new ATOM 0 HB2 ALA A 83 7.252 -23.242 17.047 1.00 34.11 H new ATOM 0 HB3 ALA A 83 6.267 -24.698 17.329 1.00 34.11 H new ATOM 1291 N HIS A 84 8.599 -26.665 18.310 1.00 3.41 N ATOM 1292 CA HIS A 84 8.725 -27.983 18.921 1.00 63.23 C ATOM 1293 C HIS A 84 9.446 -28.949 17.985 1.00 51.35 C ATOM 1294 O HIS A 84 10.190 -28.530 17.098 1.00 2.21 O ATOM 1295 CB HIS A 84 7.346 -28.536 19.279 1.00 32.43 C ATOM 1296 CG HIS A 84 6.517 -28.900 18.086 1.00 64.13 C ATOM 1297 ND1 HIS A 84 5.712 -28.144 17.304 1.00 4.23 N flip ATOM 1298 CD2 HIS A 84 6.456 -30.179 17.573 1.00 73.23 C flip ATOM 1299 CE1 HIS A 84 5.185 -28.971 16.342 1.00 64.42 C flip ATOM 1300 NE2 HIS A 84 5.650 -30.193 16.527 1.00 31.23 N flip ATOM 0 H HIS A 84 8.745 -25.887 18.953 1.00 3.41 H new ATOM 0 HA HIS A 84 9.314 -27.879 19.832 1.00 63.23 H new ATOM 0 HB2 HIS A 84 7.470 -29.418 19.908 1.00 32.43 H new ATOM 0 HB3 HIS A 84 6.809 -27.795 19.871 1.00 32.43 H new ATOM 0 HD1 HIS A 84 5.530 -27.146 17.409 1.00 4.23 H new ATOM 0 HD2 HIS A 84 6.985 -31.035 17.965 1.00 73.23 H new ATOM 0 HE1 HIS A 84 4.502 -28.671 15.561 1.00 64.42 H new ATOM 1308 N SER A 85 9.220 -30.243 18.188 1.00 1.45 N ATOM 1309 CA SER A 85 9.851 -31.268 17.366 1.00 45.33 C ATOM 1310 C SER A 85 9.604 -31.003 15.884 1.00 62.24 C ATOM 1311 O SER A 85 8.585 -31.416 15.330 1.00 64.45 O ATOM 1312 CB SER A 85 9.322 -32.652 17.744 1.00 61.55 C ATOM 1313 OG SER A 85 10.314 -33.413 18.410 1.00 23.35 O ATOM 0 H SER A 85 8.604 -30.606 18.915 1.00 1.45 H new ATOM 0 HA SER A 85 10.925 -31.236 17.549 1.00 45.33 H new ATOM 0 HB2 SER A 85 8.447 -32.547 18.386 1.00 61.55 H new ATOM 0 HB3 SER A 85 8.997 -33.178 16.846 1.00 61.55 H new ATOM 0 HG SER A 85 9.950 -34.293 18.642 1.00 23.35 H new ATOM 1319 N ASP A 86 10.544 -30.312 15.248 1.00 54.21 N ATOM 1320 CA ASP A 86 10.430 -29.992 13.830 1.00 72.03 C ATOM 1321 C ASP A 86 11.491 -28.978 13.414 1.00 22.23 C ATOM 1322 O ASP A 86 12.063 -29.072 12.327 1.00 12.22 O ATOM 1323 CB ASP A 86 9.035 -29.446 13.518 1.00 5.25 C ATOM 1324 CG ASP A 86 8.205 -30.413 12.698 1.00 52.43 C ATOM 1325 OD1 ASP A 86 8.477 -31.630 12.759 1.00 4.03 O ATOM 1326 OD2 ASP A 86 7.282 -29.952 11.995 1.00 55.04 O ATOM 0 H ASP A 86 11.393 -29.963 15.692 1.00 54.21 H new ATOM 0 HA ASP A 86 10.588 -30.909 13.263 1.00 72.03 H new ATOM 0 HB2 ASP A 86 8.516 -29.228 14.452 1.00 5.25 H new ATOM 0 HB3 ASP A 86 9.129 -28.504 12.978 1.00 5.25 H new ATOM 1331 N LEU A 87 11.750 -28.009 14.286 1.00 74.43 N ATOM 1332 CA LEU A 87 12.742 -26.976 14.009 1.00 30.44 C ATOM 1333 C LEU A 87 14.145 -27.571 13.950 1.00 62.51 C ATOM 1334 O LEU A 87 14.956 -27.192 13.105 1.00 1.40 O ATOM 1335 CB LEU A 87 12.683 -25.886 15.080 1.00 2.41 C ATOM 1336 CG LEU A 87 12.156 -24.525 14.624 1.00 50.24 C ATOM 1337 CD1 LEU A 87 10.853 -24.687 13.856 1.00 64.23 C ATOM 1338 CD2 LEU A 87 11.962 -23.600 15.817 1.00 60.42 C ATOM 0 H LEU A 87 11.287 -27.917 15.190 1.00 74.43 H new ATOM 0 HA LEU A 87 12.513 -26.537 13.038 1.00 30.44 H new ATOM 0 HB2 LEU A 87 12.055 -26.241 15.897 1.00 2.41 H new ATOM 0 HB3 LEU A 87 13.685 -25.748 15.485 1.00 2.41 H new ATOM 0 HG LEU A 87 12.893 -24.077 13.958 1.00 50.24 H new ATOM 0 HD11 LEU A 87 10.493 -23.708 13.540 1.00 64.23 H new ATOM 0 HD12 LEU A 87 11.023 -25.312 12.979 1.00 64.23 H new ATOM 0 HD13 LEU A 87 10.108 -25.157 14.498 1.00 64.23 H new ATOM 0 HD21 LEU A 87 11.587 -22.636 15.473 1.00 60.42 H new ATOM 0 HD22 LEU A 87 11.245 -24.043 16.508 1.00 60.42 H new ATOM 0 HD23 LEU A 87 12.915 -23.457 16.326 1.00 60.42 H new ATOM 1350 N ASP A 88 14.424 -28.507 14.851 1.00 72.34 N ATOM 1351 CA ASP A 88 15.728 -29.158 14.899 1.00 41.12 C ATOM 1352 C ASP A 88 16.159 -29.615 13.509 1.00 42.34 C ATOM 1353 O ASP A 88 17.348 -29.630 13.191 1.00 71.44 O ATOM 1354 CB ASP A 88 15.691 -30.353 15.853 1.00 11.30 C ATOM 1355 CG ASP A 88 17.074 -30.769 16.313 1.00 30.42 C ATOM 1356 OD1 ASP A 88 17.825 -31.339 15.494 1.00 24.54 O ATOM 1357 OD2 ASP A 88 17.405 -30.525 17.492 1.00 43.41 O ATOM 0 H ASP A 88 13.764 -28.832 15.558 1.00 72.34 H new ATOM 0 HA ASP A 88 16.455 -28.433 15.265 1.00 41.12 H new ATOM 0 HB2 ASP A 88 15.082 -30.102 16.722 1.00 11.30 H new ATOM 0 HB3 ASP A 88 15.207 -31.195 15.358 1.00 11.30 H new ATOM 1362 N ALA A 89 15.185 -29.987 12.685 1.00 51.31 N ATOM 1363 CA ALA A 89 15.463 -30.443 11.329 1.00 45.11 C ATOM 1364 C ALA A 89 15.670 -29.264 10.384 1.00 2.45 C ATOM 1365 O ALA A 89 16.583 -29.270 9.559 1.00 2.24 O ATOM 1366 CB ALA A 89 14.334 -31.331 10.828 1.00 12.22 C ATOM 0 H ALA A 89 14.196 -29.981 12.933 1.00 51.31 H new ATOM 0 HA ALA A 89 16.385 -31.024 11.350 1.00 45.11 H new ATOM 0 HB1 ALA A 89 14.556 -31.664 9.814 1.00 12.22 H new ATOM 0 HB2 ALA A 89 14.236 -32.198 11.481 1.00 12.22 H new ATOM 0 HB3 ALA A 89 13.401 -30.768 10.829 1.00 12.22 H new ATOM 1372 N ALA A 90 14.816 -28.253 10.511 1.00 60.41 N ATOM 1373 CA ALA A 90 14.906 -27.067 9.669 1.00 4.34 C ATOM 1374 C ALA A 90 16.141 -26.241 10.015 1.00 31.13 C ATOM 1375 O ALA A 90 16.579 -25.401 9.229 1.00 33.00 O ATOM 1376 CB ALA A 90 13.648 -26.223 9.810 1.00 2.23 C ATOM 0 H ALA A 90 14.054 -28.232 11.189 1.00 60.41 H new ATOM 0 HA ALA A 90 14.997 -27.393 8.633 1.00 4.34 H new ATOM 0 HB1 ALA A 90 13.729 -25.340 9.176 1.00 2.23 H new ATOM 0 HB2 ALA A 90 12.781 -26.809 9.507 1.00 2.23 H new ATOM 0 HB3 ALA A 90 13.532 -25.914 10.849 1.00 2.23 H new ATOM 1382 N VAL A 91 16.698 -26.485 11.197 1.00 23.12 N ATOM 1383 CA VAL A 91 17.883 -25.764 11.647 1.00 21.21 C ATOM 1384 C VAL A 91 19.047 -25.963 10.682 1.00 15.40 C ATOM 1385 O VAL A 91 19.623 -24.997 10.181 1.00 12.15 O ATOM 1386 CB VAL A 91 18.315 -26.217 13.054 1.00 31.15 C ATOM 1387 CG1 VAL A 91 19.685 -25.655 13.400 1.00 44.35 C ATOM 1388 CG2 VAL A 91 17.281 -25.798 14.089 1.00 5.20 C ATOM 0 H VAL A 91 16.348 -27.176 11.860 1.00 23.12 H new ATOM 0 HA VAL A 91 17.617 -24.707 11.679 1.00 21.21 H new ATOM 0 HB VAL A 91 18.383 -27.305 13.061 1.00 31.15 H new ATOM 0 HG11 VAL A 91 19.973 -25.986 14.398 1.00 44.35 H new ATOM 0 HG12 VAL A 91 20.417 -26.009 12.675 1.00 44.35 H new ATOM 0 HG13 VAL A 91 19.648 -24.566 13.376 1.00 44.35 H new ATOM 0 HG21 VAL A 91 17.602 -26.126 15.078 1.00 5.20 H new ATOM 0 HG22 VAL A 91 17.179 -24.713 14.082 1.00 5.20 H new ATOM 0 HG23 VAL A 91 16.321 -26.255 13.849 1.00 5.20 H new ATOM 1398 N SER A 92 19.387 -27.222 10.425 1.00 53.53 N ATOM 1399 CA SER A 92 20.484 -27.547 9.521 1.00 21.45 C ATOM 1400 C SER A 92 19.983 -27.692 8.088 1.00 60.42 C ATOM 1401 O SER A 92 20.762 -27.630 7.137 1.00 11.41 O ATOM 1402 CB SER A 92 21.172 -28.839 9.966 1.00 22.44 C ATOM 1403 OG SER A 92 21.546 -29.629 8.850 1.00 10.52 O ATOM 0 H SER A 92 18.919 -28.033 10.830 1.00 53.53 H new ATOM 0 HA SER A 92 21.204 -26.729 9.554 1.00 21.45 H new ATOM 0 HB2 SER A 92 22.055 -28.599 10.558 1.00 22.44 H new ATOM 0 HB3 SER A 92 20.502 -29.408 10.610 1.00 22.44 H new ATOM 0 HG SER A 92 21.985 -30.448 9.161 1.00 10.52 H new ATOM 1409 N ALA A 93 18.677 -27.887 7.941 1.00 15.22 N ATOM 1410 CA ALA A 93 18.070 -28.039 6.625 1.00 52.25 C ATOM 1411 C ALA A 93 17.690 -26.685 6.035 1.00 11.45 C ATOM 1412 O ALA A 93 18.224 -26.273 5.005 1.00 74.21 O ATOM 1413 CB ALA A 93 16.848 -28.942 6.707 1.00 1.15 C ATOM 0 H ALA A 93 18.019 -27.943 8.718 1.00 15.22 H new ATOM 0 HA ALA A 93 18.805 -28.500 5.966 1.00 52.25 H new ATOM 0 HB1 ALA A 93 16.405 -29.046 5.716 1.00 1.15 H new ATOM 0 HB2 ALA A 93 17.145 -29.923 7.077 1.00 1.15 H new ATOM 0 HB3 ALA A 93 16.117 -28.504 7.387 1.00 1.15 H new ATOM 1419 N TYR A 94 16.765 -25.996 6.695 1.00 30.31 N ATOM 1420 CA TYR A 94 16.311 -24.689 6.235 1.00 64.44 C ATOM 1421 C TYR A 94 17.491 -23.741 6.039 1.00 74.43 C ATOM 1422 O TYR A 94 17.475 -22.891 5.149 1.00 24.03 O ATOM 1423 CB TYR A 94 15.320 -24.089 7.233 1.00 25.13 C ATOM 1424 CG TYR A 94 14.368 -23.090 6.615 1.00 22.35 C ATOM 1425 CD1 TYR A 94 13.741 -23.355 5.404 1.00 23.53 C ATOM 1426 CD2 TYR A 94 14.095 -21.881 7.244 1.00 74.42 C ATOM 1427 CE1 TYR A 94 12.871 -22.445 4.836 1.00 22.40 C ATOM 1428 CE2 TYR A 94 13.225 -20.966 6.684 1.00 73.04 C ATOM 1429 CZ TYR A 94 12.616 -21.252 5.479 1.00 30.35 C ATOM 1430 OH TYR A 94 11.749 -20.344 4.917 1.00 12.23 O ATOM 0 H TYR A 94 16.315 -26.321 7.551 1.00 30.31 H new ATOM 0 HA TYR A 94 15.812 -24.823 5.275 1.00 64.44 H new ATOM 0 HB2 TYR A 94 14.743 -24.894 7.688 1.00 25.13 H new ATOM 0 HB3 TYR A 94 15.875 -23.602 8.035 1.00 25.13 H new ATOM 0 HD1 TYR A 94 13.937 -24.289 4.898 1.00 23.53 H new ATOM 0 HD2 TYR A 94 14.571 -21.653 8.186 1.00 74.42 H new ATOM 0 HE1 TYR A 94 12.393 -22.667 3.893 1.00 22.40 H new ATOM 0 HE2 TYR A 94 13.022 -20.032 7.186 1.00 73.04 H new ATOM 0 HH TYR A 94 10.850 -20.481 5.282 1.00 12.23 H new ATOM 1440 N GLN A 95 18.511 -23.896 6.876 1.00 10.23 N ATOM 1441 CA GLN A 95 19.699 -23.054 6.796 1.00 52.00 C ATOM 1442 C GLN A 95 20.427 -23.266 5.473 1.00 45.40 C ATOM 1443 O GLN A 95 21.450 -22.633 5.209 1.00 34.03 O ATOM 1444 CB GLN A 95 20.641 -23.352 7.964 1.00 54.31 C ATOM 1445 CG GLN A 95 21.333 -24.701 7.859 1.00 72.03 C ATOM 1446 CD GLN A 95 22.574 -24.654 6.989 1.00 33.12 C ATOM 1447 OE1 GLN A 95 22.721 -25.641 6.113 1.00 52.04 O flip ATOM 1448 NE2 GLN A 95 23.392 -23.741 7.104 1.00 33.11 N flip ATOM 0 H GLN A 95 18.539 -24.596 7.617 1.00 10.23 H new ATOM 0 HA GLN A 95 19.381 -22.013 6.852 1.00 52.00 H new ATOM 0 HB2 GLN A 95 21.397 -22.569 8.019 1.00 54.31 H new ATOM 0 HB3 GLN A 95 20.075 -23.315 8.895 1.00 54.31 H new ATOM 0 HG2 GLN A 95 21.606 -25.044 8.857 1.00 72.03 H new ATOM 0 HG3 GLN A 95 20.635 -25.432 7.451 1.00 72.03 H new ATOM 0 HE21 GLN A 95 23.239 -23.003 7.791 1.00 33.11 H new ATOM 0 HE22 GLN A 95 24.223 -23.723 6.512 1.00 33.11 H new ATOM 1457 N GLN A 96 19.895 -24.159 4.646 1.00 74.11 N ATOM 1458 CA GLN A 96 20.496 -24.454 3.351 1.00 72.33 C ATOM 1459 C GLN A 96 20.216 -23.335 2.353 1.00 73.41 C ATOM 1460 O GLN A 96 20.094 -23.577 1.153 1.00 53.53 O ATOM 1461 CB GLN A 96 19.964 -25.782 2.809 1.00 71.14 C ATOM 1462 CG GLN A 96 20.542 -27.001 3.510 1.00 51.22 C ATOM 1463 CD GLN A 96 21.944 -27.335 3.039 1.00 54.11 C ATOM 1464 OE1 GLN A 96 22.087 -27.596 1.745 1.00 24.35 O flip ATOM 1465 NE2 GLN A 96 22.887 -27.358 3.829 1.00 62.01 N flip ATOM 0 H GLN A 96 19.049 -24.691 4.849 1.00 74.11 H new ATOM 0 HA GLN A 96 21.575 -24.532 3.488 1.00 72.33 H new ATOM 0 HB2 GLN A 96 18.879 -25.797 2.908 1.00 71.14 H new ATOM 0 HB3 GLN A 96 20.187 -25.846 1.744 1.00 71.14 H new ATOM 0 HG2 GLN A 96 20.557 -26.824 4.585 1.00 51.22 H new ATOM 0 HG3 GLN A 96 19.891 -27.858 3.337 1.00 51.22 H new ATOM 0 HE21 GLN A 96 22.731 -27.151 4.815 1.00 62.01 H new ATOM 0 HE22 GLN A 96 23.825 -27.584 3.497 1.00 62.01 H new ATOM 1474 N GLY A 97 20.115 -22.110 2.858 1.00 15.33 N ATOM 1475 CA GLY A 97 19.849 -20.972 1.998 1.00 50.14 C ATOM 1476 C GLY A 97 18.475 -20.376 2.231 1.00 33.51 C ATOM 1477 O GLY A 97 17.832 -19.896 1.298 1.00 62.31 O ATOM 0 H GLY A 97 20.213 -21.885 3.848 1.00 15.33 H new ATOM 0 HA2 GLY A 97 20.607 -20.207 2.168 1.00 50.14 H new ATOM 0 HA3 GLY A 97 19.936 -21.280 0.956 1.00 50.14 H new ATOM 1481 N ALA A 98 18.022 -20.409 3.480 1.00 31.12 N ATOM 1482 CA ALA A 98 16.715 -19.868 3.833 1.00 23.24 C ATOM 1483 C ALA A 98 16.842 -18.768 4.881 1.00 12.43 C ATOM 1484 O ALA A 98 17.915 -18.554 5.445 1.00 2.12 O ATOM 1485 CB ALA A 98 15.804 -20.977 4.337 1.00 33.24 C ATOM 0 H ALA A 98 18.541 -20.805 4.264 1.00 31.12 H new ATOM 0 HA ALA A 98 16.275 -19.431 2.936 1.00 23.24 H new ATOM 0 HB1 ALA A 98 14.831 -20.559 4.597 1.00 33.24 H new ATOM 0 HB2 ALA A 98 15.679 -21.728 3.557 1.00 33.24 H new ATOM 0 HB3 ALA A 98 16.247 -21.440 5.219 1.00 33.24 H new ATOM 1491 N PHE A 99 15.739 -18.071 5.137 1.00 4.01 N ATOM 1492 CA PHE A 99 15.728 -16.991 6.116 1.00 13.44 C ATOM 1493 C PHE A 99 15.316 -17.508 7.492 1.00 42.32 C ATOM 1494 O PHE A 99 14.560 -18.473 7.603 1.00 0.12 O ATOM 1495 CB PHE A 99 14.774 -15.880 5.671 1.00 45.24 C ATOM 1496 CG PHE A 99 14.447 -14.898 6.759 1.00 30.22 C ATOM 1497 CD1 PHE A 99 15.273 -13.813 7.003 1.00 41.21 C ATOM 1498 CD2 PHE A 99 13.313 -15.060 7.538 1.00 32.44 C ATOM 1499 CE1 PHE A 99 14.974 -12.909 8.005 1.00 43.44 C ATOM 1500 CE2 PHE A 99 13.009 -14.159 8.541 1.00 33.12 C ATOM 1501 CZ PHE A 99 13.840 -13.081 8.774 1.00 62.22 C ATOM 0 H PHE A 99 14.842 -18.235 4.680 1.00 4.01 H new ATOM 0 HA PHE A 99 16.738 -16.588 6.186 1.00 13.44 H new ATOM 0 HB2 PHE A 99 15.219 -15.345 4.832 1.00 45.24 H new ATOM 0 HB3 PHE A 99 13.850 -16.330 5.309 1.00 45.24 H new ATOM 0 HD1 PHE A 99 16.160 -13.672 6.404 1.00 41.21 H new ATOM 0 HD2 PHE A 99 12.659 -15.900 7.359 1.00 32.44 H new ATOM 0 HE1 PHE A 99 15.627 -12.068 8.186 1.00 43.44 H new ATOM 0 HE2 PHE A 99 12.122 -14.298 9.142 1.00 33.12 H new ATOM 0 HZ PHE A 99 13.604 -12.374 9.556 1.00 62.22 H new ATOM 1511 N ASP A 100 15.820 -16.859 8.536 1.00 71.01 N ATOM 1512 CA ASP A 100 15.505 -17.252 9.905 1.00 41.14 C ATOM 1513 C ASP A 100 14.012 -17.521 10.063 1.00 70.00 C ATOM 1514 O ASP A 100 13.201 -16.595 10.069 1.00 41.51 O ATOM 1515 CB ASP A 100 15.947 -16.164 10.885 1.00 53.35 C ATOM 1516 CG ASP A 100 15.851 -16.612 12.329 1.00 31.45 C ATOM 1517 OD1 ASP A 100 16.715 -17.402 12.763 1.00 20.35 O ATOM 1518 OD2 ASP A 100 14.911 -16.174 13.026 1.00 23.31 O ATOM 0 H ASP A 100 16.448 -16.059 8.461 1.00 71.01 H new ATOM 0 HA ASP A 100 16.047 -18.171 10.127 1.00 41.14 H new ATOM 0 HB2 ASP A 100 16.975 -15.876 10.665 1.00 53.35 H new ATOM 0 HB3 ASP A 100 15.330 -15.277 10.741 1.00 53.35 H new ATOM 1523 N TYR A 101 13.656 -18.794 10.190 1.00 71.40 N ATOM 1524 CA TYR A 101 12.260 -19.186 10.345 1.00 51.12 C ATOM 1525 C TYR A 101 11.668 -18.599 11.623 1.00 61.42 C ATOM 1526 O TYR A 101 12.322 -17.829 12.327 1.00 14.41 O ATOM 1527 CB TYR A 101 12.135 -20.710 10.364 1.00 21.34 C ATOM 1528 CG TYR A 101 13.154 -21.390 11.251 1.00 45.15 C ATOM 1529 CD1 TYR A 101 13.287 -21.037 12.588 1.00 54.31 C ATOM 1530 CD2 TYR A 101 13.986 -22.384 10.750 1.00 20.25 C ATOM 1531 CE1 TYR A 101 14.217 -21.654 13.401 1.00 20.33 C ATOM 1532 CE2 TYR A 101 14.918 -23.008 11.557 1.00 61.32 C ATOM 1533 CZ TYR A 101 15.030 -22.640 12.881 1.00 10.32 C ATOM 1534 OH TYR A 101 15.958 -23.258 13.687 1.00 3.03 O ATOM 0 H TYR A 101 14.315 -19.573 10.189 1.00 71.40 H new ATOM 0 HA TYR A 101 11.702 -18.794 9.495 1.00 51.12 H new ATOM 0 HB2 TYR A 101 11.134 -20.980 10.701 1.00 21.34 H new ATOM 0 HB3 TYR A 101 12.241 -21.088 9.347 1.00 21.34 H new ATOM 0 HD1 TYR A 101 12.652 -20.266 12.999 1.00 54.31 H new ATOM 0 HD2 TYR A 101 13.903 -22.674 9.713 1.00 20.25 H new ATOM 0 HE1 TYR A 101 14.308 -21.366 14.438 1.00 20.33 H new ATOM 0 HE2 TYR A 101 15.556 -23.780 11.153 1.00 61.32 H new ATOM 0 HH TYR A 101 15.505 -23.668 14.453 1.00 3.03 H new ATOM 1544 N LEU A 102 10.427 -18.971 11.917 1.00 51.45 N ATOM 1545 CA LEU A 102 9.745 -18.483 13.110 1.00 12.03 C ATOM 1546 C LEU A 102 8.887 -19.580 13.733 1.00 11.44 C ATOM 1547 O LEU A 102 7.994 -20.140 13.097 1.00 10.15 O ATOM 1548 CB LEU A 102 8.875 -17.273 12.766 1.00 12.21 C ATOM 1549 CG LEU A 102 7.627 -17.076 13.628 1.00 71.42 C ATOM 1550 CD1 LEU A 102 8.005 -16.543 15.001 1.00 51.43 C ATOM 1551 CD2 LEU A 102 6.646 -16.138 12.940 1.00 2.20 C ATOM 0 H LEU A 102 9.873 -19.609 11.346 1.00 51.45 H new ATOM 0 HA LEU A 102 10.502 -18.183 13.834 1.00 12.03 H new ATOM 0 HB2 LEU A 102 9.489 -16.376 12.841 1.00 12.21 H new ATOM 0 HB3 LEU A 102 8.563 -17.359 11.725 1.00 12.21 H new ATOM 0 HG LEU A 102 7.142 -18.044 13.758 1.00 71.42 H new ATOM 0 HD11 LEU A 102 7.104 -16.409 15.600 1.00 51.43 H new ATOM 0 HD12 LEU A 102 8.668 -17.252 15.497 1.00 51.43 H new ATOM 0 HD13 LEU A 102 8.514 -15.585 14.892 1.00 51.43 H new ATOM 0 HD21 LEU A 102 5.764 -16.010 13.568 1.00 2.20 H new ATOM 0 HD22 LEU A 102 7.120 -15.170 12.778 1.00 2.20 H new ATOM 0 HD23 LEU A 102 6.350 -16.562 11.980 1.00 2.20 H new ATOM 1563 N PRO A 103 9.161 -19.893 15.008 1.00 1.15 N ATOM 1564 CA PRO A 103 8.424 -20.923 15.747 1.00 53.44 C ATOM 1565 C PRO A 103 6.991 -20.501 16.056 1.00 44.34 C ATOM 1566 O PRO A 103 6.705 -19.315 16.227 1.00 62.55 O ATOM 1567 CB PRO A 103 9.227 -21.075 17.041 1.00 61.34 C ATOM 1568 CG PRO A 103 9.917 -19.766 17.215 1.00 70.42 C ATOM 1569 CD PRO A 103 10.212 -19.266 15.828 1.00 54.21 C ATOM 0 HA PRO A 103 8.332 -21.847 15.176 1.00 53.44 H new ATOM 0 HB2 PRO A 103 8.576 -21.295 17.887 1.00 61.34 H new ATOM 0 HB3 PRO A 103 9.943 -21.893 16.969 1.00 61.34 H new ATOM 0 HG2 PRO A 103 9.287 -19.062 17.758 1.00 70.42 H new ATOM 0 HG3 PRO A 103 10.835 -19.882 17.791 1.00 70.42 H new ATOM 0 HD2 PRO A 103 10.167 -18.178 15.775 1.00 54.21 H new ATOM 0 HD3 PRO A 103 11.208 -19.561 15.498 1.00 54.21 H new ATOM 1577 N LYS A 104 6.094 -21.478 16.127 1.00 51.14 N ATOM 1578 CA LYS A 104 4.691 -21.209 16.417 1.00 55.01 C ATOM 1579 C LYS A 104 4.257 -21.907 17.702 1.00 23.11 C ATOM 1580 O LYS A 104 4.714 -23.004 18.026 1.00 40.35 O ATOM 1581 CB LYS A 104 3.810 -21.669 15.253 1.00 43.14 C ATOM 1582 CG LYS A 104 3.199 -20.524 14.463 1.00 31.33 C ATOM 1583 CD LYS A 104 2.051 -21.000 13.589 1.00 61.41 C ATOM 1584 CE LYS A 104 1.570 -19.902 12.654 1.00 54.51 C ATOM 1585 NZ LYS A 104 0.841 -18.829 13.387 1.00 62.31 N ATOM 0 H LYS A 104 6.314 -22.464 15.988 1.00 51.14 H new ATOM 0 HA LYS A 104 4.574 -20.134 16.551 1.00 55.01 H new ATOM 0 HB2 LYS A 104 4.405 -22.287 14.580 1.00 43.14 H new ATOM 0 HB3 LYS A 104 3.010 -22.299 15.641 1.00 43.14 H new ATOM 0 HG2 LYS A 104 2.841 -19.757 15.150 1.00 31.33 H new ATOM 0 HG3 LYS A 104 3.964 -20.061 13.840 1.00 31.33 H new ATOM 0 HD2 LYS A 104 2.371 -21.863 13.005 1.00 61.41 H new ATOM 0 HD3 LYS A 104 1.225 -21.330 14.219 1.00 61.41 H new ATOM 0 HE2 LYS A 104 2.424 -19.470 12.132 1.00 54.51 H new ATOM 0 HE3 LYS A 104 0.916 -20.332 11.895 1.00 54.51 H new ATOM 0 HZ1 LYS A 104 0.061 -18.474 12.798 1.00 62.31 H new ATOM 0 HZ2 LYS A 104 0.458 -19.213 14.274 1.00 62.31 H new ATOM 0 HZ3 LYS A 104 1.495 -18.049 13.601 1.00 62.31 H new ATOM 1599 N PRO A 105 3.354 -21.259 18.453 1.00 60.42 N ATOM 1600 CA PRO A 105 2.804 -19.953 18.078 1.00 32.33 C ATOM 1601 C PRO A 105 3.837 -18.837 18.184 1.00 1.01 C ATOM 1602 O PRO A 105 5.016 -19.090 18.433 1.00 60.21 O ATOM 1603 CB PRO A 105 1.678 -19.738 19.093 1.00 23.33 C ATOM 1604 CG PRO A 105 2.072 -20.557 20.274 1.00 12.32 C ATOM 1605 CD PRO A 105 2.801 -21.752 19.725 1.00 14.04 C ATOM 0 HA PRO A 105 2.471 -19.934 17.040 1.00 32.33 H new ATOM 0 HB2 PRO A 105 1.578 -18.685 19.357 1.00 23.33 H new ATOM 0 HB3 PRO A 105 0.717 -20.059 18.692 1.00 23.33 H new ATOM 0 HG2 PRO A 105 2.710 -19.987 20.949 1.00 12.32 H new ATOM 0 HG3 PRO A 105 1.196 -20.863 20.846 1.00 12.32 H new ATOM 0 HD2 PRO A 105 3.587 -22.089 20.401 1.00 14.04 H new ATOM 0 HD3 PRO A 105 2.129 -22.597 19.571 1.00 14.04 H new ATOM 1613 N PHE A 106 3.388 -17.601 17.994 1.00 15.13 N ATOM 1614 CA PHE A 106 4.274 -16.445 18.068 1.00 31.31 C ATOM 1615 C PHE A 106 3.475 -15.158 18.246 1.00 51.54 C ATOM 1616 O PHE A 106 2.246 -15.182 18.321 1.00 3.02 O ATOM 1617 CB PHE A 106 5.135 -16.355 16.806 1.00 12.24 C ATOM 1618 CG PHE A 106 4.340 -16.407 15.533 1.00 13.52 C ATOM 1619 CD1 PHE A 106 3.469 -15.381 15.203 1.00 53.23 C ATOM 1620 CD2 PHE A 106 4.464 -17.480 14.667 1.00 73.44 C ATOM 1621 CE1 PHE A 106 2.735 -15.426 14.032 1.00 24.52 C ATOM 1622 CE2 PHE A 106 3.733 -17.531 13.494 1.00 22.32 C ATOM 1623 CZ PHE A 106 2.869 -16.502 13.176 1.00 33.33 C ATOM 0 H PHE A 106 2.415 -17.374 17.788 1.00 15.13 H new ATOM 0 HA PHE A 106 4.923 -16.571 18.934 1.00 31.31 H new ATOM 0 HB2 PHE A 106 5.706 -15.427 16.831 1.00 12.24 H new ATOM 0 HB3 PHE A 106 5.856 -17.173 16.808 1.00 12.24 H new ATOM 0 HD1 PHE A 106 3.362 -14.537 15.868 1.00 53.23 H new ATOM 0 HD2 PHE A 106 5.140 -18.287 14.910 1.00 73.44 H new ATOM 0 HE1 PHE A 106 2.058 -14.621 13.787 1.00 24.52 H new ATOM 0 HE2 PHE A 106 3.838 -18.374 12.828 1.00 22.32 H new ATOM 0 HZ PHE A 106 2.299 -16.538 12.259 1.00 33.33 H new ATOM 1633 N ASP A 107 4.181 -14.035 18.312 1.00 45.40 N ATOM 1634 CA ASP A 107 3.539 -12.736 18.480 1.00 25.02 C ATOM 1635 C ASP A 107 3.382 -12.030 17.137 1.00 3.54 C ATOM 1636 O ASP A 107 4.369 -11.645 16.509 1.00 54.55 O ATOM 1637 CB ASP A 107 4.351 -11.862 19.438 1.00 33.54 C ATOM 1638 CG ASP A 107 4.145 -12.250 20.890 1.00 42.34 C ATOM 1639 OD1 ASP A 107 4.202 -13.459 21.195 1.00 25.41 O ATOM 1640 OD2 ASP A 107 3.928 -11.343 21.720 1.00 11.01 O ATOM 0 H ASP A 107 5.199 -13.998 18.252 1.00 45.40 H new ATOM 0 HA ASP A 107 2.548 -12.900 18.902 1.00 25.02 H new ATOM 0 HB2 ASP A 107 5.409 -11.942 19.190 1.00 33.54 H new ATOM 0 HB3 ASP A 107 4.069 -10.818 19.300 1.00 33.54 H new ATOM 1645 N ILE A 108 2.137 -11.864 16.704 1.00 43.30 N ATOM 1646 CA ILE A 108 1.852 -11.204 15.436 1.00 12.21 C ATOM 1647 C ILE A 108 2.663 -9.921 15.289 1.00 12.23 C ATOM 1648 O ILE A 108 3.077 -9.559 14.188 1.00 51.40 O ATOM 1649 CB ILE A 108 0.355 -10.870 15.300 1.00 55.22 C ATOM 1650 CG1 ILE A 108 -0.457 -12.147 15.074 1.00 62.21 C ATOM 1651 CG2 ILE A 108 0.133 -9.886 14.160 1.00 32.44 C ATOM 1652 CD1 ILE A 108 -1.881 -12.055 15.575 1.00 52.15 C ATOM 0 H ILE A 108 1.310 -12.177 17.212 1.00 43.30 H new ATOM 0 HA ILE A 108 2.134 -11.901 14.647 1.00 12.21 H new ATOM 0 HB ILE A 108 0.016 -10.406 16.226 1.00 55.22 H new ATOM 0 HG12 ILE A 108 -0.470 -12.376 14.008 1.00 62.21 H new ATOM 0 HG13 ILE A 108 0.042 -12.978 15.573 1.00 62.21 H new ATOM 0 HG21 ILE A 108 -0.930 -9.660 14.076 1.00 32.44 H new ATOM 0 HG22 ILE A 108 0.685 -8.967 14.360 1.00 32.44 H new ATOM 0 HG23 ILE A 108 0.485 -10.325 13.227 1.00 32.44 H new ATOM 0 HD11 ILE A 108 -2.396 -12.996 15.381 1.00 52.15 H new ATOM 0 HD12 ILE A 108 -1.878 -11.857 16.647 1.00 52.15 H new ATOM 0 HD13 ILE A 108 -2.397 -11.246 15.058 1.00 52.15 H new ATOM 1664 N ASP A 109 2.887 -9.238 16.407 1.00 62.43 N ATOM 1665 CA ASP A 109 3.652 -7.997 16.404 1.00 53.52 C ATOM 1666 C ASP A 109 5.047 -8.219 15.828 1.00 52.41 C ATOM 1667 O ASP A 109 5.534 -7.417 15.031 1.00 31.41 O ATOM 1668 CB ASP A 109 3.756 -7.433 17.822 1.00 75.11 C ATOM 1669 CG ASP A 109 2.613 -6.495 18.157 1.00 34.34 C ATOM 1670 OD1 ASP A 109 2.607 -5.358 17.641 1.00 11.13 O ATOM 1671 OD2 ASP A 109 1.723 -6.899 18.935 1.00 23.03 O ATOM 0 H ASP A 109 2.550 -9.523 17.326 1.00 62.43 H new ATOM 0 HA ASP A 109 3.128 -7.279 15.773 1.00 53.52 H new ATOM 0 HB2 ASP A 109 3.769 -8.256 18.537 1.00 75.11 H new ATOM 0 HB3 ASP A 109 4.702 -6.902 17.930 1.00 75.11 H new ATOM 1676 N GLU A 110 5.684 -9.311 16.238 1.00 10.23 N ATOM 1677 CA GLU A 110 7.024 -9.636 15.764 1.00 30.20 C ATOM 1678 C GLU A 110 6.974 -10.239 14.363 1.00 52.41 C ATOM 1679 O GLU A 110 7.894 -10.059 13.565 1.00 32.24 O ATOM 1680 CB GLU A 110 7.707 -10.611 16.726 1.00 52.31 C ATOM 1681 CG GLU A 110 9.178 -10.838 16.420 1.00 74.24 C ATOM 1682 CD GLU A 110 9.507 -12.301 16.195 1.00 62.11 C ATOM 1683 OE1 GLU A 110 8.673 -13.013 15.597 1.00 3.24 O ATOM 1684 OE2 GLU A 110 10.600 -12.734 16.617 1.00 1.10 O ATOM 0 H GLU A 110 5.294 -9.985 16.897 1.00 10.23 H new ATOM 0 HA GLU A 110 7.601 -8.712 15.723 1.00 30.20 H new ATOM 0 HB2 GLU A 110 7.611 -10.232 17.743 1.00 52.31 H new ATOM 0 HB3 GLU A 110 7.186 -11.568 16.691 1.00 52.31 H new ATOM 0 HG2 GLU A 110 9.453 -10.267 15.533 1.00 74.24 H new ATOM 0 HG3 GLU A 110 9.780 -10.457 17.245 1.00 74.24 H new ATOM 1691 N ALA A 111 5.893 -10.954 14.071 1.00 34.32 N ATOM 1692 CA ALA A 111 5.721 -11.582 12.767 1.00 20.10 C ATOM 1693 C ALA A 111 5.567 -10.535 11.670 1.00 51.35 C ATOM 1694 O ALA A 111 6.333 -10.513 10.706 1.00 1.12 O ATOM 1695 CB ALA A 111 4.518 -12.513 12.784 1.00 74.03 C ATOM 0 H ALA A 111 5.123 -11.113 14.720 1.00 34.32 H new ATOM 0 HA ALA A 111 6.615 -12.167 12.552 1.00 20.10 H new ATOM 0 HB1 ALA A 111 4.402 -12.975 11.804 1.00 74.03 H new ATOM 0 HB2 ALA A 111 4.669 -13.288 13.535 1.00 74.03 H new ATOM 0 HB3 ALA A 111 3.621 -11.943 13.026 1.00 74.03 H new ATOM 1701 N VAL A 112 4.571 -9.668 11.821 1.00 12.41 N ATOM 1702 CA VAL A 112 4.316 -8.617 10.843 1.00 44.12 C ATOM 1703 C VAL A 112 5.586 -7.830 10.539 1.00 1.40 C ATOM 1704 O VAL A 112 5.776 -7.345 9.424 1.00 64.31 O ATOM 1705 CB VAL A 112 3.228 -7.644 11.334 1.00 74.41 C ATOM 1706 CG1 VAL A 112 3.240 -6.367 10.508 1.00 71.33 C ATOM 1707 CG2 VAL A 112 1.860 -8.308 11.285 1.00 54.14 C ATOM 0 H VAL A 112 3.927 -9.673 12.612 1.00 12.41 H new ATOM 0 HA VAL A 112 3.969 -9.108 9.934 1.00 44.12 H new ATOM 0 HB VAL A 112 3.442 -7.379 12.369 1.00 74.41 H new ATOM 0 HG11 VAL A 112 2.464 -5.692 10.870 1.00 71.33 H new ATOM 0 HG12 VAL A 112 4.213 -5.884 10.599 1.00 71.33 H new ATOM 0 HG13 VAL A 112 3.051 -6.609 9.462 1.00 71.33 H new ATOM 0 HG21 VAL A 112 1.102 -7.607 11.635 1.00 54.14 H new ATOM 0 HG22 VAL A 112 1.635 -8.603 10.260 1.00 54.14 H new ATOM 0 HG23 VAL A 112 1.861 -9.191 11.925 1.00 54.14 H new ATOM 1717 N ALA A 113 6.453 -7.706 11.539 1.00 73.40 N ATOM 1718 CA ALA A 113 7.706 -6.980 11.378 1.00 22.03 C ATOM 1719 C ALA A 113 8.787 -7.875 10.781 1.00 74.12 C ATOM 1720 O ALA A 113 9.673 -7.404 10.066 1.00 14.15 O ATOM 1721 CB ALA A 113 8.165 -6.416 12.715 1.00 33.52 C ATOM 0 H ALA A 113 6.310 -8.099 12.469 1.00 73.40 H new ATOM 0 HA ALA A 113 7.532 -6.155 10.688 1.00 22.03 H new ATOM 0 HB1 ALA A 113 9.102 -5.876 12.580 1.00 33.52 H new ATOM 0 HB2 ALA A 113 7.407 -5.735 13.102 1.00 33.52 H new ATOM 0 HB3 ALA A 113 8.315 -7.232 13.422 1.00 33.52 H new ATOM 1727 N LEU A 114 8.708 -9.167 11.078 1.00 64.53 N ATOM 1728 CA LEU A 114 9.681 -10.129 10.570 1.00 33.31 C ATOM 1729 C LEU A 114 9.602 -10.233 9.050 1.00 1.53 C ATOM 1730 O LEU A 114 10.625 -10.261 8.366 1.00 72.33 O ATOM 1731 CB LEU A 114 9.444 -11.504 11.199 1.00 42.41 C ATOM 1732 CG LEU A 114 10.333 -12.638 10.687 1.00 53.11 C ATOM 1733 CD1 LEU A 114 11.728 -12.534 11.284 1.00 74.23 C ATOM 1734 CD2 LEU A 114 9.712 -13.989 11.010 1.00 75.13 C ATOM 0 H LEU A 114 7.981 -9.573 11.667 1.00 64.53 H new ATOM 0 HA LEU A 114 10.677 -9.778 10.841 1.00 33.31 H new ATOM 0 HB2 LEU A 114 9.584 -11.418 12.277 1.00 42.41 H new ATOM 0 HB3 LEU A 114 8.403 -11.782 11.034 1.00 42.41 H new ATOM 0 HG LEU A 114 10.416 -12.548 9.604 1.00 53.11 H new ATOM 0 HD11 LEU A 114 12.346 -13.349 10.908 1.00 74.23 H new ATOM 0 HD12 LEU A 114 12.174 -11.580 11.002 1.00 74.23 H new ATOM 0 HD13 LEU A 114 11.665 -12.598 12.370 1.00 74.23 H new ATOM 0 HD21 LEU A 114 10.358 -14.785 10.638 1.00 75.13 H new ATOM 0 HD22 LEU A 114 9.598 -14.088 12.089 1.00 75.13 H new ATOM 0 HD23 LEU A 114 8.734 -14.063 10.534 1.00 75.13 H new ATOM 1746 N VAL A 115 8.381 -10.286 8.528 1.00 13.12 N ATOM 1747 CA VAL A 115 8.168 -10.382 7.089 1.00 20.31 C ATOM 1748 C VAL A 115 8.697 -9.146 6.371 1.00 0.33 C ATOM 1749 O VAL A 115 9.273 -9.244 5.289 1.00 43.04 O ATOM 1750 CB VAL A 115 6.675 -10.558 6.753 1.00 62.21 C ATOM 1751 CG1 VAL A 115 5.854 -9.434 7.365 1.00 52.44 C ATOM 1752 CG2 VAL A 115 6.472 -10.619 5.246 1.00 24.35 C ATOM 0 H VAL A 115 7.524 -10.264 9.080 1.00 13.12 H new ATOM 0 HA VAL A 115 8.716 -11.260 6.746 1.00 20.31 H new ATOM 0 HB VAL A 115 6.332 -11.500 7.181 1.00 62.21 H new ATOM 0 HG11 VAL A 115 4.802 -9.575 7.117 1.00 52.44 H new ATOM 0 HG12 VAL A 115 5.976 -9.443 8.448 1.00 52.44 H new ATOM 0 HG13 VAL A 115 6.195 -8.477 6.969 1.00 52.44 H new ATOM 0 HG21 VAL A 115 5.412 -10.744 5.026 1.00 24.35 H new ATOM 0 HG22 VAL A 115 6.830 -9.695 4.793 1.00 24.35 H new ATOM 0 HG23 VAL A 115 7.029 -11.463 4.838 1.00 24.35 H new ATOM 1762 N GLU A 116 8.497 -7.982 6.983 1.00 62.32 N ATOM 1763 CA GLU A 116 8.954 -6.726 6.401 1.00 4.20 C ATOM 1764 C GLU A 116 10.450 -6.776 6.104 1.00 63.31 C ATOM 1765 O GLU A 116 10.920 -6.192 5.128 1.00 41.25 O ATOM 1766 CB GLU A 116 8.650 -5.560 7.345 1.00 72.53 C ATOM 1767 CG GLU A 116 7.192 -5.131 7.331 1.00 44.14 C ATOM 1768 CD GLU A 116 6.929 -3.993 6.363 1.00 32.41 C ATOM 1769 OE1 GLU A 116 7.377 -4.086 5.201 1.00 33.12 O ATOM 1770 OE2 GLU A 116 6.274 -3.010 6.769 1.00 70.24 O ATOM 0 H GLU A 116 8.022 -7.884 7.880 1.00 62.32 H new ATOM 0 HA GLU A 116 8.419 -6.575 5.463 1.00 4.20 H new ATOM 0 HB2 GLU A 116 8.927 -5.844 8.360 1.00 72.53 H new ATOM 0 HB3 GLU A 116 9.273 -4.709 7.070 1.00 72.53 H new ATOM 0 HG2 GLU A 116 6.569 -5.984 7.062 1.00 44.14 H new ATOM 0 HG3 GLU A 116 6.897 -4.825 8.335 1.00 44.14 H new ATOM 1777 N ARG A 117 11.193 -7.479 6.953 1.00 11.55 N ATOM 1778 CA ARG A 117 12.635 -7.604 6.784 1.00 65.32 C ATOM 1779 C ARG A 117 12.968 -8.352 5.496 1.00 22.31 C ATOM 1780 O ARG A 117 13.985 -8.086 4.857 1.00 44.31 O ATOM 1781 CB ARG A 117 13.250 -8.331 7.982 1.00 51.24 C ATOM 1782 CG ARG A 117 14.652 -8.856 7.722 1.00 43.15 C ATOM 1783 CD ARG A 117 15.539 -8.709 8.948 1.00 12.53 C ATOM 1784 NE ARG A 117 16.950 -8.591 8.593 1.00 44.34 N ATOM 1785 CZ ARG A 117 17.944 -8.784 9.453 1.00 33.11 C ATOM 1786 NH1 ARG A 117 17.681 -9.103 10.713 1.00 61.41 N ATOM 1787 NH2 ARG A 117 19.203 -8.659 9.054 1.00 51.32 N ATOM 0 H ARG A 117 10.819 -7.971 7.765 1.00 11.55 H new ATOM 0 HA ARG A 117 13.057 -6.601 6.721 1.00 65.32 H new ATOM 0 HB2 ARG A 117 13.278 -7.651 8.833 1.00 51.24 H new ATOM 0 HB3 ARG A 117 12.605 -9.164 8.261 1.00 51.24 H new ATOM 0 HG2 ARG A 117 14.601 -9.906 7.433 1.00 43.15 H new ATOM 0 HG3 ARG A 117 15.094 -8.316 6.885 1.00 43.15 H new ATOM 0 HD2 ARG A 117 15.233 -7.829 9.513 1.00 12.53 H new ATOM 0 HD3 ARG A 117 15.401 -9.571 9.601 1.00 12.53 H new ATOM 0 HE ARG A 117 17.186 -8.347 7.631 1.00 44.34 H new ATOM 0 HH11 ARG A 117 16.714 -9.201 11.023 1.00 61.41 H new ATOM 0 HH12 ARG A 117 18.445 -9.251 11.372 1.00 61.41 H new ATOM 0 HH21 ARG A 117 19.409 -8.414 8.085 1.00 51.32 H new ATOM 0 HH22 ARG A 117 19.965 -8.808 9.716 1.00 51.32 H new ATOM 1801 N ALA A 118 12.104 -9.290 5.122 1.00 13.03 N ATOM 1802 CA ALA A 118 12.305 -10.075 3.911 1.00 71.30 C ATOM 1803 C ALA A 118 11.866 -9.299 2.674 1.00 12.11 C ATOM 1804 O ALA A 118 12.467 -9.423 1.606 1.00 12.25 O ATOM 1805 CB ALA A 118 11.550 -11.393 4.005 1.00 62.11 C ATOM 0 H ALA A 118 11.258 -9.525 5.641 1.00 13.03 H new ATOM 0 HA ALA A 118 13.370 -10.285 3.817 1.00 71.30 H new ATOM 0 HB1 ALA A 118 11.709 -11.969 3.094 1.00 62.11 H new ATOM 0 HB2 ALA A 118 11.914 -11.961 4.861 1.00 62.11 H new ATOM 0 HB3 ALA A 118 10.485 -11.194 4.128 1.00 62.11 H new ATOM 1811 N ILE A 119 10.815 -8.500 2.825 1.00 0.10 N ATOM 1812 CA ILE A 119 10.297 -7.704 1.720 1.00 55.52 C ATOM 1813 C ILE A 119 11.210 -6.521 1.419 1.00 43.55 C ATOM 1814 O ILE A 119 11.667 -6.347 0.288 1.00 34.44 O ATOM 1815 CB ILE A 119 8.879 -7.180 2.019 1.00 5.03 C ATOM 1816 CG1 ILE A 119 7.919 -8.348 2.252 1.00 22.23 C ATOM 1817 CG2 ILE A 119 8.387 -6.302 0.879 1.00 42.13 C ATOM 1818 CD1 ILE A 119 6.502 -7.914 2.554 1.00 31.33 C ATOM 0 H ILE A 119 10.306 -8.387 3.702 1.00 0.10 H new ATOM 0 HA ILE A 119 10.258 -8.360 0.851 1.00 55.52 H new ATOM 0 HB ILE A 119 8.914 -6.577 2.926 1.00 5.03 H new ATOM 0 HG12 ILE A 119 7.914 -8.986 1.368 1.00 22.23 H new ATOM 0 HG13 ILE A 119 8.289 -8.953 3.080 1.00 22.23 H new ATOM 0 HG21 ILE A 119 7.384 -5.940 1.105 1.00 42.13 H new ATOM 0 HG22 ILE A 119 9.060 -5.454 0.757 1.00 42.13 H new ATOM 0 HG23 ILE A 119 8.363 -6.882 -0.043 1.00 42.13 H new ATOM 0 HD11 ILE A 119 5.877 -8.794 2.708 1.00 31.33 H new ATOM 0 HD12 ILE A 119 6.494 -7.301 3.455 1.00 31.33 H new ATOM 0 HD13 ILE A 119 6.113 -7.334 1.717 1.00 31.33 H new ATOM 1830 N SER A 120 11.475 -5.710 2.438 1.00 51.51 N ATOM 1831 CA SER A 120 12.333 -4.541 2.282 1.00 2.02 C ATOM 1832 C SER A 120 13.698 -4.939 1.727 1.00 35.14 C ATOM 1833 O SER A 120 14.370 -4.143 1.071 1.00 21.20 O ATOM 1834 CB SER A 120 12.504 -3.825 3.623 1.00 24.35 C ATOM 1835 OG SER A 120 11.259 -3.669 4.281 1.00 72.21 O ATOM 0 H SER A 120 11.108 -5.841 3.381 1.00 51.51 H new ATOM 0 HA SER A 120 11.856 -3.863 1.574 1.00 2.02 H new ATOM 0 HB2 SER A 120 13.185 -4.392 4.257 1.00 24.35 H new ATOM 0 HB3 SER A 120 12.958 -2.847 3.461 1.00 24.35 H new ATOM 0 HG SER A 120 11.108 -4.430 4.880 1.00 72.21 H new ATOM 1841 N HIS A 121 14.100 -6.177 1.996 1.00 23.01 N ATOM 1842 CA HIS A 121 15.384 -6.683 1.524 1.00 44.41 C ATOM 1843 C HIS A 121 15.503 -6.535 0.010 1.00 71.10 C ATOM 1844 O HIS A 121 16.605 -6.439 -0.530 1.00 23.30 O ATOM 1845 CB HIS A 121 15.556 -8.149 1.920 1.00 73.40 C ATOM 1846 CG HIS A 121 16.961 -8.648 1.778 1.00 71.01 C ATOM 1847 ND1 HIS A 121 17.487 -9.085 0.580 1.00 10.15 N ATOM 1848 CD2 HIS A 121 17.951 -8.776 2.691 1.00 25.04 C ATOM 1849 CE1 HIS A 121 18.740 -9.462 0.764 1.00 52.31 C ATOM 1850 NE2 HIS A 121 19.046 -9.284 2.036 1.00 4.23 N ATOM 0 H HIS A 121 13.556 -6.848 2.538 1.00 23.01 H new ATOM 0 HA HIS A 121 16.173 -6.094 1.992 1.00 44.41 H new ATOM 0 HB2 HIS A 121 15.237 -8.277 2.954 1.00 73.40 H new ATOM 0 HB3 HIS A 121 14.898 -8.762 1.305 1.00 73.40 H new ATOM 0 HD2 HIS A 121 17.891 -8.525 3.740 1.00 25.04 H new ATOM 0 HE1 HIS A 121 19.401 -9.850 0.003 1.00 52.31 H new ATOM 0 HE2 HIS A 121 19.949 -9.490 2.463 1.00 4.23 H new ATOM 1858 N TYR A 122 14.361 -6.518 -0.669 1.00 23.31 N ATOM 1859 CA TYR A 122 14.337 -6.386 -2.121 1.00 3.23 C ATOM 1860 C TYR A 122 14.805 -4.998 -2.549 1.00 33.11 C ATOM 1861 O TYR A 122 15.746 -4.863 -3.330 1.00 51.41 O ATOM 1862 CB TYR A 122 12.928 -6.649 -2.655 1.00 2.24 C ATOM 1863 CG TYR A 122 12.626 -8.115 -2.870 1.00 41.51 C ATOM 1864 CD1 TYR A 122 13.415 -8.891 -3.709 1.00 45.13 C ATOM 1865 CD2 TYR A 122 11.551 -8.723 -2.233 1.00 64.34 C ATOM 1866 CE1 TYR A 122 13.143 -10.230 -3.910 1.00 35.13 C ATOM 1867 CE2 TYR A 122 11.272 -10.062 -2.427 1.00 32.33 C ATOM 1868 CZ TYR A 122 12.070 -10.811 -3.266 1.00 71.30 C ATOM 1869 OH TYR A 122 11.796 -12.145 -3.462 1.00 34.52 O ATOM 0 H TYR A 122 13.440 -6.594 -0.237 1.00 23.31 H new ATOM 0 HA TYR A 122 15.020 -7.125 -2.539 1.00 3.23 H new ATOM 0 HB2 TYR A 122 12.201 -6.235 -1.956 1.00 2.24 H new ATOM 0 HB3 TYR A 122 12.801 -6.118 -3.599 1.00 2.24 H new ATOM 0 HD1 TYR A 122 14.256 -8.439 -4.213 1.00 45.13 H new ATOM 0 HD2 TYR A 122 10.924 -8.139 -1.576 1.00 64.34 H new ATOM 0 HE1 TYR A 122 13.766 -10.819 -4.567 1.00 35.13 H new ATOM 0 HE2 TYR A 122 10.433 -10.520 -1.924 1.00 32.33 H new ATOM 0 HH TYR A 122 10.971 -12.236 -3.982 1.00 34.52 H new