USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 967 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 130 SER OG : rot 150:sc= 0.739 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -151:sc= 0.819 (180deg=0) USER MOD Set 2.1: A 58 SER OG : rot -87:sc= 1.13 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.19! C(o=-0.06!,f=-15!) USER MOD Set 3.1: A 11 SER OG : rot -170:sc= 0.0306 USER MOD Set 3.2: A 76 CYS SG : rot -9:sc= -0.688 USER MOD Single : A 4 TYR OH : rot 171:sc= 0.263 USER MOD Single : A 5 TYR OH : rot 9:sc= -3.79 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 160:sc= -0.409 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 33:sc= 0.0788 USER MOD Single : A 38 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.38) USER MOD Single : A 40 MET CE :methyl 180:sc= -2.23 (180deg=-2.23) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 46 THR OG1 : rot 85:sc= 0.201 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 76:sc= -7.93! USER MOD Single : A 57 GLN : amide:sc= -2.45 K(o=-2.4,f=-7.8!) USER MOD Single : A 63 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.1!) USER MOD Single : A 64 TYR OH : rot -168:sc= -0.37 USER MOD Single : A 69 TYR OH : rot 170:sc= 1.11 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 156:sc= -2.29! USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 0.977 (180deg=-0.34) USER MOD Single : A 84 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.6) USER MOD Single : A 85 TYR OH : rot -15:sc= -2.78! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 95 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7) USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.293) USER MOD Single : A 101 TYR OH : rot 130:sc= -7.01! USER MOD Single : A 105 HIS : no HD1:sc= -6.17! K(o=-6.2!,f=-4.8) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -2.32 K(o=-2.3,f=-3.1!) USER MOD Single : A 127 THR OG1 : rot 80:sc= 0.733 USER MOD Single : A 128 TYR OH : rot 165:sc=-0.00332 USER MOD Single : A 132 TYR OH : rot 30:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.285 9.883 2.356 1.00 0.00 N ATOM 21 CA ARG A 2 -9.229 9.323 3.192 1.00 0.00 C ATOM 22 C ARG A 2 -8.680 8.033 2.593 1.00 0.00 C ATOM 23 O ARG A 2 -9.239 7.487 1.642 1.00 0.00 O ATOM 24 CB ARG A 2 -9.755 9.058 4.603 1.00 0.00 C ATOM 25 CG ARG A 2 -9.682 10.271 5.519 1.00 0.00 C ATOM 26 CD ARG A 2 -11.050 10.641 6.074 1.00 0.00 C ATOM 27 NE ARG A 2 -11.017 10.849 7.520 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.591 11.970 8.098 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.159 12.985 7.359 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.599 12.078 9.420 1.00 0.00 N ATOM 0 HA ARG A 2 -8.419 10.050 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.790 8.724 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.184 8.243 5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.999 10.064 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.271 11.118 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.406 11.548 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.763 9.851 5.838 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.339 10.091 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.152 12.909 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.834 13.841 7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.931 11.302 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.273 12.937 9.864 1.00 0.00 H new ATOM 44 N ILE A 3 -7.579 7.553 3.161 1.00 0.00 N ATOM 45 CA ILE A 3 -6.941 6.327 2.697 1.00 0.00 C ATOM 46 C ILE A 3 -7.788 5.109 3.048 1.00 0.00 C ATOM 47 O ILE A 3 -8.489 5.101 4.060 1.00 0.00 O ATOM 48 CB ILE A 3 -5.535 6.182 3.307 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.788 4.995 2.714 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.619 6.040 4.819 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.291 5.184 2.753 1.00 0.00 C ATOM 0 H ILE A 3 -7.108 7.998 3.949 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.849 6.387 1.613 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.979 7.088 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.052 4.091 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.107 4.846 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.615 5.939 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.097 6.924 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.205 5.156 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.803 4.311 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.021 6.072 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.966 5.305 3.786 1.00 0.00 H new ATOM 63 N TYR A 4 -7.738 4.086 2.198 1.00 0.00 N ATOM 64 CA TYR A 4 -8.525 2.880 2.424 1.00 0.00 C ATOM 65 C TYR A 4 -7.655 1.629 2.501 1.00 0.00 C ATOM 66 O TYR A 4 -7.981 0.693 3.229 1.00 0.00 O ATOM 67 CB TYR A 4 -9.571 2.719 1.322 1.00 0.00 C ATOM 68 CG TYR A 4 -10.452 3.937 1.147 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.351 4.315 2.135 1.00 0.00 C ATOM 70 CD2 TYR A 4 -10.379 4.707 -0.006 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.155 5.429 1.978 1.00 0.00 C ATOM 72 CE2 TYR A 4 -11.179 5.822 -0.170 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.065 6.179 0.824 1.00 0.00 C ATOM 74 OH TYR A 4 -12.864 7.288 0.665 1.00 0.00 O ATOM 0 H TYR A 4 -7.166 4.069 1.354 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.021 2.994 3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.066 2.507 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.197 1.856 1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.424 3.730 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.686 4.430 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.850 5.710 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.110 6.411 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.578 7.786 -0.129 1.00 0.00 H new ATOM 84 N TYR A 5 -6.558 1.599 1.751 1.00 0.00 N ATOM 85 CA TYR A 5 -5.680 0.433 1.766 1.00 0.00 C ATOM 86 C TYR A 5 -4.220 0.806 1.558 1.00 0.00 C ATOM 87 O TYR A 5 -3.893 1.792 0.898 1.00 0.00 O ATOM 88 CB TYR A 5 -6.112 -0.582 0.702 1.00 0.00 C ATOM 89 CG TYR A 5 -5.229 -1.819 0.620 1.00 0.00 C ATOM 90 CD1 TYR A 5 -3.925 -1.748 0.130 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.701 -3.061 1.027 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.126 -2.872 0.049 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.906 -4.190 0.948 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.621 -4.089 0.461 1.00 0.00 C ATOM 95 OH TYR A 5 -2.829 -5.212 0.381 1.00 0.00 O ATOM 0 H TYR A 5 -6.259 2.355 1.135 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.770 -0.016 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.136 -0.894 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.119 -0.090 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.532 -0.795 -0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.707 -3.146 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.119 -2.797 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.291 -5.147 1.267 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.913 -4.951 0.150 1.00 0.00 H new ATOM 105 N ILE A 6 -3.351 -0.024 2.118 1.00 0.00 N ATOM 106 CA ILE A 6 -1.915 0.149 2.006 1.00 0.00 C ATOM 107 C ILE A 6 -1.249 -1.219 2.032 1.00 0.00 C ATOM 108 O ILE A 6 -1.875 -2.212 2.406 1.00 0.00 O ATOM 109 CB ILE A 6 -1.367 1.047 3.148 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.356 2.510 2.685 1.00 0.00 C ATOM 111 CG2 ILE A 6 0.018 0.615 3.614 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.305 3.379 3.352 1.00 0.00 C ATOM 0 H ILE A 6 -3.627 -0.840 2.665 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.689 0.648 1.064 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.029 0.939 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.197 2.534 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.338 2.943 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.355 1.275 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.026 -0.409 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.716 0.670 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.372 4.395 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.473 3.391 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.686 2.976 3.144 1.00 0.00 H new ATOM 124 N GLY A 7 0.010 -1.273 1.637 1.00 0.00 N ATOM 125 CA GLY A 7 0.712 -2.535 1.639 1.00 0.00 C ATOM 126 C GLY A 7 1.834 -2.586 0.633 1.00 0.00 C ATOM 127 O GLY A 7 2.187 -1.572 0.028 1.00 0.00 O ATOM 0 H GLY A 7 0.555 -0.473 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.115 -2.719 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.006 -3.338 1.428 1.00 0.00 H new ATOM 131 N VAL A 8 2.397 -3.771 0.455 1.00 0.00 N ATOM 132 CA VAL A 8 3.489 -3.961 -0.484 1.00 0.00 C ATOM 133 C VAL A 8 3.258 -5.197 -1.335 1.00 0.00 C ATOM 134 O VAL A 8 2.539 -6.112 -0.936 1.00 0.00 O ATOM 135 CB VAL A 8 4.845 -4.107 0.225 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.957 -3.569 -0.655 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.848 -3.410 1.580 1.00 0.00 C ATOM 0 H VAL A 8 2.114 -4.617 0.950 1.00 0.00 H new ATOM 0 HA VAL A 8 3.514 -3.070 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 8 5.017 -5.168 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.912 -3.678 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.982 -4.127 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.777 -2.515 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.823 -3.535 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.644 -2.348 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.079 -3.848 2.216 1.00 0.00 H new ATOM 147 N PHE A 9 3.863 -5.214 -2.514 1.00 0.00 N ATOM 148 CA PHE A 9 3.710 -6.337 -3.422 1.00 0.00 C ATOM 149 C PHE A 9 4.923 -6.480 -4.334 1.00 0.00 C ATOM 150 O PHE A 9 5.417 -5.498 -4.884 1.00 0.00 O ATOM 151 CB PHE A 9 2.463 -6.142 -4.277 1.00 0.00 C ATOM 152 CG PHE A 9 1.242 -5.726 -3.507 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.152 -4.466 -2.932 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.173 -6.591 -3.378 1.00 0.00 C ATOM 155 CE1 PHE A 9 0.018 -4.088 -2.243 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.963 -6.217 -2.690 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.040 -4.963 -2.123 1.00 0.00 C ATOM 0 H PHE A 9 4.462 -4.465 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 9 3.617 -7.243 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.672 -5.389 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.247 -7.073 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.977 -3.775 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.227 -7.574 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.041 -3.106 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.790 -6.905 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.928 -4.666 -1.585 1.00 0.00 H new ATOM 167 N ARG A 10 5.383 -7.711 -4.517 1.00 0.00 N ATOM 168 CA ARG A 10 6.519 -7.966 -5.391 1.00 0.00 C ATOM 169 C ARG A 10 6.019 -8.290 -6.792 1.00 0.00 C ATOM 170 O ARG A 10 5.160 -9.152 -6.970 1.00 0.00 O ATOM 171 CB ARG A 10 7.386 -9.108 -4.850 1.00 0.00 C ATOM 172 CG ARG A 10 6.756 -10.485 -4.995 1.00 0.00 C ATOM 173 CD ARG A 10 7.568 -11.383 -5.915 1.00 0.00 C ATOM 174 NE ARG A 10 6.714 -12.180 -6.793 1.00 0.00 N ATOM 175 CZ ARG A 10 7.105 -13.304 -7.390 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.335 -13.768 -7.210 1.00 0.00 N ATOM 177 NH2 ARG A 10 6.262 -13.968 -8.170 1.00 0.00 N ATOM 0 H ARG A 10 4.990 -8.542 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 10 7.140 -7.071 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.344 -9.101 -5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.595 -8.924 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.672 -10.951 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.744 -10.382 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.239 -10.772 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.192 -12.046 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 10 5.761 -11.856 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.988 -13.263 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.627 -14.630 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.315 -13.617 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.561 -14.829 -8.628 1.00 0.00 H new ATOM 191 N SER A 11 6.543 -7.586 -7.784 1.00 0.00 N ATOM 192 CA SER A 11 6.127 -7.801 -9.162 1.00 0.00 C ATOM 193 C SER A 11 6.317 -9.256 -9.572 1.00 0.00 C ATOM 194 O SER A 11 7.368 -9.637 -10.087 1.00 0.00 O ATOM 195 CB SER A 11 6.910 -6.896 -10.101 1.00 0.00 C ATOM 196 OG SER A 11 7.142 -5.626 -9.518 1.00 0.00 O ATOM 0 H SER A 11 7.254 -6.864 -7.662 1.00 0.00 H new ATOM 0 HA SER A 11 5.067 -7.558 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.863 -7.364 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.361 -6.775 -11.035 1.00 0.00 H new ATOM 0 HG SER A 11 7.504 -5.017 -10.195 1.00 0.00 H new ATOM 202 N GLY A 12 5.290 -10.059 -9.338 1.00 0.00 N ATOM 203 CA GLY A 12 5.353 -11.466 -9.687 1.00 0.00 C ATOM 204 C GLY A 12 5.367 -11.691 -11.186 1.00 0.00 C ATOM 205 O GLY A 12 5.933 -10.893 -11.934 1.00 0.00 O ATOM 0 H GLY A 12 4.412 -9.762 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.248 -11.906 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.498 -11.984 -9.253 1.00 0.00 H new ATOM 209 N GLY A 13 4.743 -12.778 -11.625 1.00 0.00 N ATOM 210 CA GLY A 13 4.699 -13.084 -13.044 1.00 0.00 C ATOM 211 C GLY A 13 3.658 -12.265 -13.780 1.00 0.00 C ATOM 212 O GLY A 13 3.967 -11.213 -14.339 1.00 0.00 O ATOM 0 H GLY A 13 4.267 -13.452 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.679 -12.900 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.484 -14.144 -13.178 1.00 0.00 H new ATOM 216 N GLU A 14 2.420 -12.748 -13.781 1.00 0.00 N ATOM 217 CA GLU A 14 1.327 -12.054 -14.453 1.00 0.00 C ATOM 218 C GLU A 14 0.621 -11.084 -13.507 1.00 0.00 C ATOM 219 O GLU A 14 -0.157 -10.236 -13.944 1.00 0.00 O ATOM 220 CB GLU A 14 0.321 -13.062 -15.009 1.00 0.00 C ATOM 221 CG GLU A 14 -0.422 -12.565 -16.238 1.00 0.00 C ATOM 222 CD GLU A 14 0.373 -12.753 -17.515 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.390 -12.048 -17.689 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.020 -13.603 -18.341 1.00 0.00 O ATOM 0 H GLU A 14 2.148 -13.618 -13.324 1.00 0.00 H new ATOM 0 HA GLU A 14 1.753 -11.479 -15.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.844 -13.985 -15.260 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.403 -13.307 -14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.371 -13.095 -16.324 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.657 -11.508 -16.113 1.00 0.00 H new ATOM 231 N LYS A 15 0.894 -11.213 -12.210 1.00 0.00 N ATOM 232 CA LYS A 15 0.282 -10.348 -11.213 1.00 0.00 C ATOM 233 C LYS A 15 1.278 -10.008 -10.109 1.00 0.00 C ATOM 234 O LYS A 15 2.444 -10.400 -10.168 1.00 0.00 O ATOM 235 CB LYS A 15 -0.952 -11.022 -10.612 1.00 0.00 C ATOM 236 CG LYS A 15 -0.712 -12.462 -10.186 1.00 0.00 C ATOM 237 CD LYS A 15 -1.393 -13.445 -11.127 1.00 0.00 C ATOM 238 CE LYS A 15 -2.633 -14.055 -10.492 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.818 -15.479 -10.886 1.00 0.00 N ATOM 0 H LYS A 15 1.535 -11.909 -11.829 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.021 -9.423 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.285 -10.447 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.761 -10.998 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.359 -12.662 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.085 -12.609 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.669 -12.935 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.694 -14.237 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.556 -13.986 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.511 -13.480 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.674 -15.857 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.917 -15.543 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.992 -16.033 -10.583 1.00 0.00 H new ATOM 253 N ALA A 16 0.812 -9.276 -9.106 1.00 0.00 N ATOM 254 CA ALA A 16 1.659 -8.879 -7.989 1.00 0.00 C ATOM 255 C ALA A 16 1.492 -9.825 -6.808 1.00 0.00 C ATOM 256 O ALA A 16 0.439 -10.442 -6.640 1.00 0.00 O ATOM 257 CB ALA A 16 1.333 -7.458 -7.567 1.00 0.00 C ATOM 0 H ALA A 16 -0.150 -8.944 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 16 2.697 -8.928 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.972 -7.171 -6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.505 -6.781 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.288 -7.400 -7.262 1.00 0.00 H new ATOM 263 N LEU A 17 2.530 -9.928 -5.984 1.00 0.00 N ATOM 264 CA LEU A 17 2.479 -10.791 -4.813 1.00 0.00 C ATOM 265 C LEU A 17 2.057 -9.996 -3.583 1.00 0.00 C ATOM 266 O LEU A 17 2.259 -8.785 -3.517 1.00 0.00 O ATOM 267 CB LEU A 17 3.836 -11.450 -4.564 1.00 0.00 C ATOM 268 CG LEU A 17 3.789 -12.735 -3.733 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.972 -13.631 -4.068 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.769 -12.408 -2.246 1.00 0.00 C ATOM 0 H LEU A 17 3.410 -9.428 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 17 1.742 -11.571 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.296 -11.674 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.484 -10.733 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 17 2.872 -13.271 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.922 -14.539 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.942 -13.893 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.901 -13.104 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.736 -13.333 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.668 -11.850 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.889 -11.807 -2.018 1.00 0.00 H new ATOM 282 N GLU A 18 1.466 -10.677 -2.612 1.00 0.00 N ATOM 283 CA GLU A 18 1.012 -10.025 -1.388 1.00 0.00 C ATOM 284 C GLU A 18 2.138 -9.921 -0.359 1.00 0.00 C ATOM 285 O GLU A 18 2.230 -10.741 0.555 1.00 0.00 O ATOM 286 CB GLU A 18 -0.170 -10.788 -0.790 1.00 0.00 C ATOM 287 CG GLU A 18 -1.227 -11.172 -1.813 1.00 0.00 C ATOM 288 CD GLU A 18 -1.080 -12.604 -2.292 1.00 0.00 C ATOM 289 OE1 GLU A 18 -0.154 -12.871 -3.087 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.891 -13.456 -1.874 1.00 0.00 O ATOM 0 H GLU A 18 1.289 -11.681 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 18 0.696 -9.015 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.200 -11.692 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.632 -10.176 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.216 -11.039 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.163 -10.498 -2.667 1.00 0.00 H new ATOM 297 N LEU A 19 2.985 -8.905 -0.506 1.00 0.00 N ATOM 298 CA LEU A 19 4.095 -8.693 0.420 1.00 0.00 C ATOM 299 C LEU A 19 3.600 -8.067 1.718 1.00 0.00 C ATOM 300 O LEU A 19 4.165 -8.292 2.788 1.00 0.00 O ATOM 301 CB LEU A 19 5.160 -7.803 -0.210 1.00 0.00 C ATOM 302 CG LEU A 19 5.852 -8.388 -1.439 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.017 -7.507 -1.853 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.322 -9.810 -1.169 1.00 0.00 C ATOM 0 H LEU A 19 2.924 -8.217 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 19 4.536 -9.664 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.700 -6.855 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.917 -7.581 0.542 1.00 0.00 H new ATOM 0 HG LEU A 19 5.133 -8.421 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.503 -7.934 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.651 -6.508 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.735 -7.445 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.812 -10.206 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.026 -9.809 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.465 -10.435 -0.918 1.00 0.00 H new ATOM 316 N SER A 20 2.537 -7.285 1.611 1.00 0.00 N ATOM 317 CA SER A 20 1.948 -6.628 2.769 1.00 0.00 C ATOM 318 C SER A 20 0.570 -6.092 2.418 1.00 0.00 C ATOM 319 O SER A 20 0.389 -5.462 1.377 1.00 0.00 O ATOM 320 CB SER A 20 2.849 -5.494 3.263 1.00 0.00 C ATOM 321 OG SER A 20 3.354 -5.771 4.558 1.00 0.00 O ATOM 0 H SER A 20 2.062 -7.089 0.730 1.00 0.00 H new ATOM 0 HA SER A 20 1.849 -7.360 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.677 -5.355 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.287 -4.560 3.280 1.00 0.00 H new ATOM 0 HG SER A 20 4.151 -5.224 4.722 1.00 0.00 H new ATOM 327 N GLU A 21 -0.406 -6.351 3.280 1.00 0.00 N ATOM 328 CA GLU A 21 -1.760 -5.888 3.026 1.00 0.00 C ATOM 329 C GLU A 21 -2.428 -5.364 4.291 1.00 0.00 C ATOM 330 O GLU A 21 -2.749 -6.125 5.204 1.00 0.00 O ATOM 331 CB GLU A 21 -2.598 -7.019 2.428 1.00 0.00 C ATOM 332 CG GLU A 21 -1.880 -7.800 1.339 1.00 0.00 C ATOM 333 CD GLU A 21 -2.654 -9.026 0.895 1.00 0.00 C ATOM 334 OE1 GLU A 21 -3.024 -9.842 1.765 1.00 0.00 O ATOM 335 OE2 GLU A 21 -2.888 -9.171 -0.323 1.00 0.00 O ATOM 0 H GLU A 21 -0.286 -6.872 4.149 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.697 -5.063 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.888 -7.705 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.517 -6.601 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.713 -7.150 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.899 -8.106 1.703 1.00 0.00 H new ATOM 342 N VAL A 22 -2.659 -4.059 4.315 1.00 0.00 N ATOM 343 CA VAL A 22 -3.314 -3.405 5.431 1.00 0.00 C ATOM 344 C VAL A 22 -4.577 -2.715 4.934 1.00 0.00 C ATOM 345 O VAL A 22 -4.557 -2.043 3.902 1.00 0.00 O ATOM 346 CB VAL A 22 -2.379 -2.383 6.095 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.934 -1.327 5.099 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.042 -1.742 7.304 1.00 0.00 C ATOM 0 H VAL A 22 -2.396 -3.426 3.559 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.574 -4.156 6.178 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.493 -2.916 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.273 -0.616 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.402 -1.804 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.807 -0.802 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.358 -1.023 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.952 -1.231 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.291 -2.513 8.034 1.00 0.00 H new ATOM 358 N LYS A 23 -5.685 -2.911 5.638 1.00 0.00 N ATOM 359 CA LYS A 23 -6.949 -2.326 5.213 1.00 0.00 C ATOM 360 C LYS A 23 -7.427 -1.213 6.125 1.00 0.00 C ATOM 361 O LYS A 23 -7.136 -1.185 7.321 1.00 0.00 O ATOM 362 CB LYS A 23 -8.038 -3.395 5.150 1.00 0.00 C ATOM 363 CG LYS A 23 -7.591 -4.683 4.477 1.00 0.00 C ATOM 364 CD LYS A 23 -8.637 -5.779 4.616 1.00 0.00 C ATOM 365 CE LYS A 23 -8.209 -6.833 5.623 1.00 0.00 C ATOM 366 NZ LYS A 23 -8.847 -6.622 6.953 1.00 0.00 N ATOM 0 H LYS A 23 -5.734 -3.463 6.494 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.764 -1.901 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.372 -3.621 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.898 -2.994 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.399 -4.495 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.652 -5.018 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.585 -5.341 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.805 -6.248 3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.471 -7.822 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.125 -6.811 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.529 -7.362 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.576 -5.689 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.881 -6.668 6.853 1.00 0.00 H new ATOM 380 N ASP A 24 -8.218 -0.330 5.536 1.00 0.00 N ATOM 381 CA ASP A 24 -8.827 0.773 6.249 1.00 0.00 C ATOM 382 C ASP A 24 -10.290 0.832 5.841 1.00 0.00 C ATOM 383 O ASP A 24 -10.616 1.204 4.714 1.00 0.00 O ATOM 384 CB ASP A 24 -8.123 2.092 5.919 1.00 0.00 C ATOM 385 CG ASP A 24 -7.433 2.701 7.125 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.755 2.296 8.261 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.573 3.586 6.932 1.00 0.00 O ATOM 0 H ASP A 24 -8.455 -0.362 4.544 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.737 0.621 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.388 1.921 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.852 2.800 5.526 1.00 0.00 H new ATOM 392 N LEU A 25 -11.166 0.433 6.748 1.00 0.00 N ATOM 393 CA LEU A 25 -12.589 0.408 6.467 1.00 0.00 C ATOM 394 C LEU A 25 -13.392 0.999 7.615 1.00 0.00 C ATOM 395 O LEU A 25 -13.819 0.290 8.526 1.00 0.00 O ATOM 396 CB LEU A 25 -13.030 -1.026 6.186 1.00 0.00 C ATOM 397 CG LEU A 25 -12.401 -1.646 4.935 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.728 -2.969 5.264 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.446 -1.829 3.843 1.00 0.00 C ATOM 0 H LEU A 25 -10.915 0.122 7.686 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.778 1.022 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.782 -1.645 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.115 -1.046 6.081 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.637 -0.962 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.289 -3.389 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.945 -2.805 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.467 -3.663 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.979 -2.271 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.237 -2.487 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.871 -0.860 3.580 1.00 0.00 H new ATOM 411 N SER A 26 -13.583 2.308 7.561 1.00 0.00 N ATOM 412 CA SER A 26 -14.328 3.020 8.596 1.00 0.00 C ATOM 413 C SER A 26 -15.761 3.328 8.159 1.00 0.00 C ATOM 414 O SER A 26 -16.687 3.274 8.969 1.00 0.00 O ATOM 415 CB SER A 26 -13.609 4.321 8.959 1.00 0.00 C ATOM 416 OG SER A 26 -13.768 4.625 10.334 1.00 0.00 O ATOM 0 H SER A 26 -13.233 2.903 6.810 1.00 0.00 H new ATOM 0 HA SER A 26 -14.378 2.369 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.549 4.232 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.002 5.138 8.355 1.00 0.00 H new ATOM 0 HG SER A 26 -13.298 5.460 10.541 1.00 0.00 H new ATOM 422 N GLN A 27 -15.939 3.664 6.884 1.00 0.00 N ATOM 423 CA GLN A 27 -17.265 3.995 6.360 1.00 0.00 C ATOM 424 C GLN A 27 -18.006 2.754 5.861 1.00 0.00 C ATOM 425 O GLN A 27 -19.234 2.748 5.781 1.00 0.00 O ATOM 426 CB GLN A 27 -17.145 5.017 5.228 1.00 0.00 C ATOM 427 CG GLN A 27 -16.946 6.442 5.717 1.00 0.00 C ATOM 428 CD GLN A 27 -16.960 7.455 4.589 1.00 0.00 C ATOM 429 OE1 GLN A 27 -17.921 7.533 3.823 1.00 0.00 O ATOM 430 NE2 GLN A 27 -15.893 8.235 4.482 1.00 0.00 N ATOM 0 H GLN A 27 -15.187 3.715 6.196 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.843 4.423 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.308 4.741 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.044 4.974 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.731 6.689 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.997 6.510 6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.120 8.135 5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.845 8.935 3.742 1.00 0.00 H new ATOM 439 N PHE A 28 -17.257 1.711 5.526 1.00 0.00 N ATOM 440 CA PHE A 28 -17.850 0.468 5.035 1.00 0.00 C ATOM 441 C PHE A 28 -18.319 -0.398 6.200 1.00 0.00 C ATOM 442 O PHE A 28 -17.509 -0.873 6.994 1.00 0.00 O ATOM 443 CB PHE A 28 -16.845 -0.306 4.177 1.00 0.00 C ATOM 444 CG PHE A 28 -15.857 0.576 3.475 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.708 0.985 4.121 1.00 0.00 C ATOM 446 CD2 PHE A 28 -16.081 1.005 2.178 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.795 1.805 3.494 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.170 1.827 1.542 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.025 2.227 2.204 1.00 0.00 C ATOM 0 H PHE A 28 -16.239 1.698 5.584 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.712 0.723 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.306 -1.011 4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.388 -0.893 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.522 0.657 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.976 0.695 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.901 2.116 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.353 2.156 0.530 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.311 2.870 1.710 1.00 0.00 H new ATOM 459 N GLY A 29 -19.633 -0.601 6.303 1.00 0.00 N ATOM 460 CA GLY A 29 -20.181 -1.411 7.381 1.00 0.00 C ATOM 461 C GLY A 29 -19.447 -2.728 7.547 1.00 0.00 C ATOM 462 O GLY A 29 -18.615 -3.085 6.718 1.00 0.00 O ATOM 0 H GLY A 29 -20.327 -0.219 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.131 -0.850 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.235 -1.608 7.184 1.00 0.00 H new ATOM 466 N PHE A 30 -19.753 -3.454 8.619 1.00 0.00 N ATOM 467 CA PHE A 30 -19.106 -4.738 8.871 1.00 0.00 C ATOM 468 C PHE A 30 -19.455 -5.755 7.782 1.00 0.00 C ATOM 469 O PHE A 30 -18.818 -6.801 7.671 1.00 0.00 O ATOM 470 CB PHE A 30 -19.479 -5.280 10.255 1.00 0.00 C ATOM 471 CG PHE A 30 -20.958 -5.361 10.517 1.00 0.00 C ATOM 472 CD1 PHE A 30 -21.663 -4.247 10.945 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.639 -6.555 10.347 1.00 0.00 C ATOM 474 CE1 PHE A 30 -23.020 -4.322 11.196 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.996 -6.636 10.597 1.00 0.00 C ATOM 476 CZ PHE A 30 -23.687 -5.519 11.022 1.00 0.00 C ATOM 0 H PHE A 30 -20.439 -3.178 9.322 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.029 -4.575 8.849 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.048 -6.274 10.370 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.023 -4.645 11.015 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.146 -3.309 11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.104 -7.432 10.015 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.558 -3.446 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.516 -7.573 10.460 1.00 0.00 H new ATOM 0 HZ PHE A 30 -24.747 -5.581 11.218 1.00 0.00 H new ATOM 486 N PHE A 31 -20.458 -5.429 6.967 1.00 0.00 N ATOM 487 CA PHE A 31 -20.877 -6.298 5.875 1.00 0.00 C ATOM 488 C PHE A 31 -20.123 -5.931 4.604 1.00 0.00 C ATOM 489 O PHE A 31 -19.526 -6.785 3.949 1.00 0.00 O ATOM 490 CB PHE A 31 -22.382 -6.168 5.633 1.00 0.00 C ATOM 491 CG PHE A 31 -23.225 -6.890 6.643 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.936 -8.197 7.000 1.00 0.00 C ATOM 493 CD2 PHE A 31 -24.309 -6.261 7.232 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.716 -8.863 7.926 1.00 0.00 C ATOM 495 CE2 PHE A 31 -25.092 -6.921 8.159 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.795 -8.225 8.507 1.00 0.00 C ATOM 0 H PHE A 31 -20.995 -4.566 7.046 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.652 -7.329 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.651 -5.112 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.615 -6.551 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.093 -8.700 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -24.545 -5.242 6.963 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.482 -9.882 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.935 -6.419 8.611 1.00 0.00 H new ATOM 0 HZ PHE A 31 -25.405 -8.744 9.231 1.00 0.00 H new ATOM 506 N GLU A 32 -20.153 -4.643 4.268 1.00 0.00 N ATOM 507 CA GLU A 32 -19.471 -4.143 3.083 1.00 0.00 C ATOM 508 C GLU A 32 -17.964 -4.113 3.307 1.00 0.00 C ATOM 509 O GLU A 32 -17.187 -4.358 2.388 1.00 0.00 O ATOM 510 CB GLU A 32 -19.980 -2.744 2.727 1.00 0.00 C ATOM 511 CG GLU A 32 -20.589 -2.654 1.338 1.00 0.00 C ATOM 512 CD GLU A 32 -20.710 -1.226 0.845 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.311 -0.399 1.562 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.202 -0.934 -0.259 1.00 0.00 O ATOM 0 H GLU A 32 -20.645 -3.927 4.803 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.685 -4.816 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.725 -2.440 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.154 -2.037 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.977 -3.225 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -21.576 -3.116 1.348 1.00 0.00 H new ATOM 521 N ARG A 33 -17.559 -3.824 4.542 1.00 0.00 N ATOM 522 CA ARG A 33 -16.143 -3.773 4.898 1.00 0.00 C ATOM 523 C ARG A 33 -15.413 -5.004 4.368 1.00 0.00 C ATOM 524 O ARG A 33 -14.224 -4.952 4.057 1.00 0.00 O ATOM 525 CB ARG A 33 -15.988 -3.682 6.423 1.00 0.00 C ATOM 526 CG ARG A 33 -14.569 -3.919 6.917 1.00 0.00 C ATOM 527 CD ARG A 33 -14.409 -3.522 8.377 1.00 0.00 C ATOM 528 NE ARG A 33 -13.868 -4.612 9.185 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.278 -4.439 10.366 1.00 0.00 C ATOM 530 NH1 ARG A 33 -13.149 -3.222 10.881 1.00 0.00 N ATOM 531 NH2 ARG A 33 -12.813 -5.486 11.034 1.00 0.00 N ATOM 0 H ARG A 33 -18.193 -3.621 5.315 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.701 -2.887 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.317 -2.696 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.650 -4.411 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.312 -4.971 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.870 -3.348 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.749 -2.657 8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.376 -3.219 8.778 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.947 -5.562 8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.503 -2.412 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.696 -3.097 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.907 -6.423 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.361 -5.354 11.939 1.00 0.00 H new ATOM 545 N SER A 34 -16.144 -6.106 4.266 1.00 0.00 N ATOM 546 CA SER A 34 -15.587 -7.353 3.771 1.00 0.00 C ATOM 547 C SER A 34 -15.418 -7.303 2.254 1.00 0.00 C ATOM 548 O SER A 34 -14.354 -7.629 1.721 1.00 0.00 O ATOM 549 CB SER A 34 -16.498 -8.517 4.163 1.00 0.00 C ATOM 550 OG SER A 34 -15.955 -9.757 3.748 1.00 0.00 O ATOM 0 H SER A 34 -17.130 -6.159 4.522 1.00 0.00 H new ATOM 0 HA SER A 34 -14.604 -7.500 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.640 -8.523 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.481 -8.379 3.713 1.00 0.00 H new ATOM 0 HG SER A 34 -16.557 -10.483 4.013 1.00 0.00 H new ATOM 556 N SER A 35 -16.477 -6.889 1.565 1.00 0.00 N ATOM 557 CA SER A 35 -16.456 -6.793 0.109 1.00 0.00 C ATOM 558 C SER A 35 -15.464 -5.734 -0.361 1.00 0.00 C ATOM 559 O SER A 35 -14.733 -5.945 -1.330 1.00 0.00 O ATOM 560 CB SER A 35 -17.852 -6.467 -0.423 1.00 0.00 C ATOM 561 OG SER A 35 -18.602 -5.729 0.527 1.00 0.00 O ATOM 0 H SER A 35 -17.362 -6.614 1.992 1.00 0.00 H new ATOM 0 HA SER A 35 -16.138 -7.759 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.768 -5.895 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.377 -7.391 -0.666 1.00 0.00 H new ATOM 0 HG SER A 35 -18.000 -5.154 1.044 1.00 0.00 H new ATOM 567 N VAL A 36 -15.435 -4.594 0.325 1.00 0.00 N ATOM 568 CA VAL A 36 -14.524 -3.521 -0.040 1.00 0.00 C ATOM 569 C VAL A 36 -13.087 -3.940 0.234 1.00 0.00 C ATOM 570 O VAL A 36 -12.188 -3.669 -0.560 1.00 0.00 O ATOM 571 CB VAL A 36 -14.815 -2.202 0.706 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.443 -1.019 -0.168 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.272 -2.104 1.142 1.00 0.00 C ATOM 0 H VAL A 36 -16.028 -4.393 1.130 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.674 -3.337 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.205 -2.189 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.652 -0.092 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.382 -1.066 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.028 -1.048 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.433 -1.160 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.918 -2.149 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.508 -2.932 1.810 1.00 0.00 H new ATOM 583 N GLY A 37 -12.877 -4.628 1.355 1.00 0.00 N ATOM 584 CA GLY A 37 -11.545 -5.094 1.687 1.00 0.00 C ATOM 585 C GLY A 37 -10.968 -5.920 0.561 1.00 0.00 C ATOM 586 O GLY A 37 -9.819 -5.731 0.161 1.00 0.00 O ATOM 0 H GLY A 37 -13.601 -4.868 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.896 -4.241 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.580 -5.689 2.599 1.00 0.00 H new ATOM 590 N GLN A 38 -11.790 -6.819 0.024 1.00 0.00 N ATOM 591 CA GLN A 38 -11.373 -7.654 -1.091 1.00 0.00 C ATOM 592 C GLN A 38 -11.100 -6.772 -2.303 1.00 0.00 C ATOM 593 O GLN A 38 -10.192 -7.037 -3.091 1.00 0.00 O ATOM 594 CB GLN A 38 -12.455 -8.687 -1.417 1.00 0.00 C ATOM 595 CG GLN A 38 -12.138 -9.539 -2.637 1.00 0.00 C ATOM 596 CD GLN A 38 -12.264 -11.025 -2.360 1.00 0.00 C ATOM 597 OE1 GLN A 38 -11.839 -11.511 -1.312 1.00 0.00 O ATOM 598 NE2 GLN A 38 -12.851 -11.755 -3.301 1.00 0.00 N ATOM 0 H GLN A 38 -12.744 -6.985 0.344 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.463 -8.189 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.594 -9.340 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.401 -8.170 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.811 -9.267 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.125 -9.321 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.189 -11.311 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.964 -12.760 -3.170 1.00 0.00 H new ATOM 607 N PHE A 39 -11.888 -5.706 -2.428 1.00 0.00 N ATOM 608 CA PHE A 39 -11.731 -4.759 -3.523 1.00 0.00 C ATOM 609 C PHE A 39 -10.384 -4.055 -3.421 1.00 0.00 C ATOM 610 O PHE A 39 -9.694 -3.846 -4.420 1.00 0.00 O ATOM 611 CB PHE A 39 -12.862 -3.729 -3.503 1.00 0.00 C ATOM 612 CG PHE A 39 -12.796 -2.744 -4.635 1.00 0.00 C ATOM 613 CD1 PHE A 39 -11.979 -1.627 -4.552 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.550 -2.934 -5.781 1.00 0.00 C ATOM 615 CE1 PHE A 39 -11.917 -0.720 -5.593 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.492 -2.030 -6.824 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.674 -0.921 -6.729 1.00 0.00 C ATOM 0 H PHE A 39 -12.643 -5.479 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.773 -5.308 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.818 -4.251 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.832 -3.187 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.385 -1.464 -3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.191 -3.799 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.276 0.146 -5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.085 -2.190 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.627 -0.212 -7.543 1.00 0.00 H new ATOM 627 N MET A 40 -10.019 -3.697 -2.195 1.00 0.00 N ATOM 628 CA MET A 40 -8.759 -3.015 -1.933 1.00 0.00 C ATOM 629 C MET A 40 -7.570 -3.848 -2.401 1.00 0.00 C ATOM 630 O MET A 40 -6.777 -3.404 -3.231 1.00 0.00 O ATOM 631 CB MET A 40 -8.623 -2.719 -0.440 1.00 0.00 C ATOM 632 CG MET A 40 -9.689 -1.777 0.095 1.00 0.00 C ATOM 633 SD MET A 40 -9.370 -0.053 -0.327 1.00 0.00 S ATOM 634 CE MET A 40 -11.040 0.591 -0.404 1.00 0.00 C ATOM 0 H MET A 40 -10.583 -3.870 -1.363 1.00 0.00 H new ATOM 0 HA MET A 40 -8.763 -2.079 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.669 -3.657 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.640 -2.286 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.660 -2.070 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.745 -1.877 1.179 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.010 1.651 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.603 0.053 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.525 0.462 0.564 1.00 0.00 H new ATOM 644 N THR A 41 -7.446 -5.053 -1.853 1.00 0.00 N ATOM 645 CA THR A 41 -6.345 -5.946 -2.204 1.00 0.00 C ATOM 646 C THR A 41 -6.260 -6.162 -3.711 1.00 0.00 C ATOM 647 O THR A 41 -5.251 -5.837 -4.327 1.00 0.00 O ATOM 648 CB THR A 41 -6.515 -7.291 -1.501 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.170 -7.127 -0.257 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.206 -8.002 -1.241 1.00 0.00 C ATOM 0 H THR A 41 -8.094 -5.434 -1.164 1.00 0.00 H new ATOM 0 HA THR A 41 -5.418 -5.476 -1.875 1.00 0.00 H new ATOM 0 HB THR A 41 -7.109 -7.899 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.271 -8.000 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.400 -8.950 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.699 -8.189 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.573 -7.380 -0.608 1.00 0.00 H new ATOM 658 N PHE A 42 -7.322 -6.711 -4.300 1.00 0.00 N ATOM 659 CA PHE A 42 -7.361 -6.966 -5.741 1.00 0.00 C ATOM 660 C PHE A 42 -6.778 -5.787 -6.516 1.00 0.00 C ATOM 661 O PHE A 42 -6.010 -5.965 -7.463 1.00 0.00 O ATOM 662 CB PHE A 42 -8.798 -7.228 -6.196 1.00 0.00 C ATOM 663 CG PHE A 42 -8.896 -7.773 -7.593 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.864 -9.140 -7.821 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.017 -6.919 -8.676 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.952 -9.644 -9.104 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.105 -7.417 -9.962 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.072 -8.782 -10.177 1.00 0.00 C ATOM 0 H PHE A 42 -8.168 -6.988 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.756 -7.849 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.266 -7.931 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.364 -6.299 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.769 -9.819 -6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.043 -5.852 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.927 -10.711 -9.268 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.199 -6.740 -10.798 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.140 -9.174 -11.181 1.00 0.00 H new ATOM 678 N PHE A 43 -7.137 -4.584 -6.090 1.00 0.00 N ATOM 679 CA PHE A 43 -6.644 -3.367 -6.721 1.00 0.00 C ATOM 680 C PHE A 43 -5.175 -3.157 -6.384 1.00 0.00 C ATOM 681 O PHE A 43 -4.386 -2.750 -7.234 1.00 0.00 O ATOM 682 CB PHE A 43 -7.469 -2.164 -6.255 1.00 0.00 C ATOM 683 CG PHE A 43 -7.849 -1.225 -7.363 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.279 -1.712 -8.587 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.777 0.146 -7.180 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.629 -0.850 -9.607 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.126 1.014 -8.196 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.553 0.516 -9.412 1.00 0.00 C ATOM 0 H PHE A 43 -7.771 -4.424 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.743 -3.466 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.376 -2.523 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.901 -1.615 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.341 -2.779 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.444 0.541 -6.232 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.962 -1.243 -10.556 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.065 2.081 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.827 1.193 -10.208 1.00 0.00 H new ATOM 698 N ALA A 44 -4.819 -3.442 -5.136 1.00 0.00 N ATOM 699 CA ALA A 44 -3.444 -3.287 -4.671 1.00 0.00 C ATOM 700 C ALA A 44 -2.500 -4.245 -5.397 1.00 0.00 C ATOM 701 O ALA A 44 -1.381 -3.879 -5.774 1.00 0.00 O ATOM 702 CB ALA A 44 -3.377 -3.511 -3.171 1.00 0.00 C ATOM 0 H ALA A 44 -5.466 -3.783 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.121 -2.271 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.348 -3.394 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.011 -2.783 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.724 -4.518 -2.938 1.00 0.00 H new ATOM 708 N GLU A 45 -2.965 -5.468 -5.600 1.00 0.00 N ATOM 709 CA GLU A 45 -2.184 -6.479 -6.291 1.00 0.00 C ATOM 710 C GLU A 45 -2.063 -6.114 -7.764 1.00 0.00 C ATOM 711 O GLU A 45 -1.039 -6.367 -8.401 1.00 0.00 O ATOM 712 CB GLU A 45 -2.848 -7.848 -6.135 1.00 0.00 C ATOM 713 CG GLU A 45 -4.253 -7.899 -6.700 1.00 0.00 C ATOM 714 CD GLU A 45 -4.794 -9.312 -6.795 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.709 -10.048 -5.789 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.304 -9.682 -7.873 1.00 0.00 O ATOM 0 H GLU A 45 -3.885 -5.784 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.186 -6.525 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.236 -8.600 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.879 -8.111 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.915 -7.302 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.259 -7.445 -7.691 1.00 0.00 H new ATOM 723 N THR A 46 -3.117 -5.500 -8.295 1.00 0.00 N ATOM 724 CA THR A 46 -3.136 -5.078 -9.685 1.00 0.00 C ATOM 725 C THR A 46 -2.090 -3.994 -9.909 1.00 0.00 C ATOM 726 O THR A 46 -1.237 -4.115 -10.784 1.00 0.00 O ATOM 727 CB THR A 46 -4.535 -4.573 -10.065 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.376 -5.656 -10.419 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.544 -3.593 -11.222 1.00 0.00 C ATOM 0 H THR A 46 -3.970 -5.285 -7.778 1.00 0.00 H new ATOM 0 HA THR A 46 -2.896 -5.929 -10.323 1.00 0.00 H new ATOM 0 HB THR A 46 -4.896 -4.054 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.772 -6.041 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.569 -3.284 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.946 -2.719 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.124 -4.071 -12.107 1.00 0.00 H new ATOM 737 N VAL A 47 -2.158 -2.935 -9.108 1.00 0.00 N ATOM 738 CA VAL A 47 -1.200 -1.836 -9.226 1.00 0.00 C ATOM 739 C VAL A 47 0.215 -2.364 -9.294 1.00 0.00 C ATOM 740 O VAL A 47 0.910 -2.169 -10.288 1.00 0.00 O ATOM 741 CB VAL A 47 -1.262 -0.835 -8.051 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.732 0.509 -8.526 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.142 -1.309 -6.924 1.00 0.00 C ATOM 0 H VAL A 47 -2.858 -2.813 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.477 -1.315 -10.142 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.247 -0.755 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.769 1.200 -7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.042 0.891 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.727 0.414 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.146 -0.565 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.158 -1.453 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.759 -2.253 -6.536 1.00 0.00 H new ATOM 753 N ALA A 48 0.641 -3.043 -8.238 1.00 0.00 N ATOM 754 CA ALA A 48 1.980 -3.599 -8.208 1.00 0.00 C ATOM 755 C ALA A 48 2.209 -4.458 -9.445 1.00 0.00 C ATOM 756 O ALA A 48 3.325 -4.542 -9.959 1.00 0.00 O ATOM 757 CB ALA A 48 2.198 -4.383 -6.932 1.00 0.00 C ATOM 0 H ALA A 48 0.084 -3.219 -7.402 1.00 0.00 H new ATOM 0 HA ALA A 48 2.709 -2.789 -8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.208 -4.794 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.069 -3.724 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.475 -5.197 -6.877 1.00 0.00 H new ATOM 763 N SER A 49 1.131 -5.064 -9.941 1.00 0.00 N ATOM 764 CA SER A 49 1.205 -5.878 -11.144 1.00 0.00 C ATOM 765 C SER A 49 1.386 -4.967 -12.356 1.00 0.00 C ATOM 766 O SER A 49 2.079 -5.314 -13.313 1.00 0.00 O ATOM 767 CB SER A 49 -0.057 -6.736 -11.297 1.00 0.00 C ATOM 768 OG SER A 49 -0.353 -6.980 -12.662 1.00 0.00 O ATOM 0 H SER A 49 0.201 -5.004 -9.527 1.00 0.00 H new ATOM 0 HA SER A 49 2.058 -6.552 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.081 -7.684 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.901 -6.233 -10.824 1.00 0.00 H new ATOM 0 HG SER A 49 -1.161 -7.530 -12.728 1.00 0.00 H new ATOM 774 N ARG A 50 0.777 -3.781 -12.288 1.00 0.00 N ATOM 775 CA ARG A 50 0.887 -2.796 -13.357 1.00 0.00 C ATOM 776 C ARG A 50 2.237 -2.114 -13.286 1.00 0.00 C ATOM 777 O ARG A 50 2.915 -1.933 -14.297 1.00 0.00 O ATOM 778 CB ARG A 50 -0.216 -1.740 -13.251 1.00 0.00 C ATOM 779 CG ARG A 50 -1.621 -2.310 -13.170 1.00 0.00 C ATOM 780 CD ARG A 50 -2.510 -1.456 -12.279 1.00 0.00 C ATOM 781 NE ARG A 50 -3.781 -1.128 -12.922 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.887 -0.390 -14.025 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.802 0.104 -14.610 1.00 0.00 N ATOM 784 NH2 ARG A 50 -5.082 -0.143 -14.545 1.00 0.00 N ATOM 0 H ARG A 50 0.202 -3.483 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 50 0.780 -3.317 -14.309 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.033 -1.128 -12.368 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.154 -1.079 -14.115 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.051 -2.367 -14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.582 -3.327 -12.781 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.702 -1.985 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.987 -0.535 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.638 -1.486 -12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.880 -0.081 -14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.890 0.669 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.919 -0.518 -14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.164 0.422 -15.390 1.00 0.00 H new ATOM 798 N THR A 51 2.624 -1.748 -12.075 1.00 0.00 N ATOM 799 CA THR A 51 3.892 -1.096 -11.855 1.00 0.00 C ATOM 800 C THR A 51 5.018 -2.104 -12.041 1.00 0.00 C ATOM 801 O THR A 51 5.225 -2.984 -11.206 1.00 0.00 O ATOM 802 CB THR A 51 3.916 -0.498 -10.449 1.00 0.00 C ATOM 803 OG1 THR A 51 2.761 0.292 -10.239 1.00 0.00 O ATOM 804 CG2 THR A 51 5.122 0.372 -10.177 1.00 0.00 C ATOM 0 H THR A 51 2.072 -1.895 -11.230 1.00 0.00 H new ATOM 0 HA THR A 51 4.030 -0.290 -12.575 1.00 0.00 H new ATOM 0 HB THR A 51 3.955 -1.350 -9.770 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.989 -0.292 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.069 0.760 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.031 -0.219 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.138 1.203 -10.882 1.00 0.00 H new ATOM 812 N GLY A 52 5.729 -1.979 -13.154 1.00 0.00 N ATOM 813 CA GLY A 52 6.816 -2.895 -13.452 1.00 0.00 C ATOM 814 C GLY A 52 8.098 -2.575 -12.705 1.00 0.00 C ATOM 815 O GLY A 52 9.188 -2.671 -13.270 1.00 0.00 O ATOM 0 H GLY A 52 5.573 -1.258 -13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.504 -3.910 -13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.014 -2.875 -14.524 1.00 0.00 H new ATOM 819 N ALA A 53 7.974 -2.205 -11.434 1.00 0.00 N ATOM 820 CA ALA A 53 9.136 -1.883 -10.614 1.00 0.00 C ATOM 821 C ALA A 53 9.932 -0.723 -11.204 1.00 0.00 C ATOM 822 O ALA A 53 10.000 -0.556 -12.421 1.00 0.00 O ATOM 823 CB ALA A 53 10.026 -3.106 -10.460 1.00 0.00 C ATOM 0 H ALA A 53 7.080 -2.121 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 53 8.777 -1.576 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.890 -2.852 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.463 -3.908 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.364 -3.436 -11.442 1.00 0.00 H new ATOM 829 N GLY A 54 10.529 0.080 -10.330 1.00 0.00 N ATOM 830 CA GLY A 54 11.309 1.215 -10.782 1.00 0.00 C ATOM 831 C GLY A 54 10.440 2.383 -11.202 1.00 0.00 C ATOM 832 O GLY A 54 10.945 3.398 -11.681 1.00 0.00 O ATOM 0 H GLY A 54 10.486 -0.035 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.979 1.533 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.935 0.911 -11.621 1.00 0.00 H new ATOM 836 N GLU A 55 9.129 2.243 -11.023 1.00 0.00 N ATOM 837 CA GLU A 55 8.199 3.298 -11.389 1.00 0.00 C ATOM 838 C GLU A 55 7.073 3.414 -10.367 1.00 0.00 C ATOM 839 O GLU A 55 6.965 2.602 -9.448 1.00 0.00 O ATOM 840 CB GLU A 55 7.618 3.037 -12.780 1.00 0.00 C ATOM 841 CG GLU A 55 7.121 1.613 -12.974 1.00 0.00 C ATOM 842 CD GLU A 55 7.138 1.182 -14.427 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.294 1.679 -15.204 1.00 0.00 O ATOM 844 OE2 GLU A 55 7.994 0.348 -14.789 1.00 0.00 O ATOM 0 H GLU A 55 8.691 1.411 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 55 8.748 4.240 -11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.794 3.728 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.380 3.252 -13.529 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.741 0.933 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.106 1.531 -12.586 1.00 0.00 H new ATOM 851 N ARG A 56 6.235 4.432 -10.536 1.00 0.00 N ATOM 852 CA ARG A 56 5.113 4.662 -9.632 1.00 0.00 C ATOM 853 C ARG A 56 3.791 4.612 -10.392 1.00 0.00 C ATOM 854 O ARG A 56 3.747 4.871 -11.594 1.00 0.00 O ATOM 855 CB ARG A 56 5.268 6.014 -8.935 1.00 0.00 C ATOM 856 CG ARG A 56 6.468 6.081 -8.003 1.00 0.00 C ATOM 857 CD ARG A 56 7.130 7.449 -8.045 1.00 0.00 C ATOM 858 NE ARG A 56 8.027 7.587 -9.190 1.00 0.00 N ATOM 859 CZ ARG A 56 8.759 8.672 -9.431 1.00 0.00 C ATOM 860 NH1 ARG A 56 8.705 9.715 -8.611 1.00 0.00 N ATOM 861 NH2 ARG A 56 9.549 8.714 -10.496 1.00 0.00 N ATOM 0 H ARG A 56 6.312 5.112 -11.292 1.00 0.00 H new ATOM 0 HA ARG A 56 5.109 3.873 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.360 6.795 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.363 6.226 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.151 5.860 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.192 5.316 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.363 8.222 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.690 7.609 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 56 8.096 6.806 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.100 9.688 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.269 10.543 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.595 7.915 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.111 9.545 -10.682 1.00 0.00 H new ATOM 875 N GLN A 57 2.716 4.279 -9.686 1.00 0.00 N ATOM 876 CA GLN A 57 1.396 4.200 -10.312 1.00 0.00 C ATOM 877 C GLN A 57 0.293 4.739 -9.413 1.00 0.00 C ATOM 878 O GLN A 57 0.127 4.305 -8.275 1.00 0.00 O ATOM 879 CB GLN A 57 1.053 2.756 -10.699 1.00 0.00 C ATOM 880 CG GLN A 57 1.639 2.332 -12.037 1.00 0.00 C ATOM 881 CD GLN A 57 0.675 1.496 -12.857 1.00 0.00 C ATOM 882 OE1 GLN A 57 -0.366 1.065 -12.362 1.00 0.00 O ATOM 883 NE2 GLN A 57 1.018 1.264 -14.119 1.00 0.00 N ATOM 0 H GLN A 57 2.729 4.061 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 57 1.450 4.822 -11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.417 2.084 -9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.031 2.645 -10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.918 3.220 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.553 1.763 -11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.891 1.641 -14.488 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.408 0.709 -14.719 1.00 0.00 H new ATOM 892 N SER A 58 -0.493 5.655 -9.951 1.00 0.00 N ATOM 893 CA SER A 58 -1.613 6.208 -9.227 1.00 0.00 C ATOM 894 C SER A 58 -2.885 5.880 -9.997 1.00 0.00 C ATOM 895 O SER A 58 -3.192 6.507 -11.011 1.00 0.00 O ATOM 896 CB SER A 58 -1.464 7.722 -9.056 1.00 0.00 C ATOM 897 OG SER A 58 -0.612 8.031 -7.967 1.00 0.00 O ATOM 0 H SER A 58 -0.371 6.030 -10.892 1.00 0.00 H new ATOM 0 HA SER A 58 -1.655 5.773 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.062 8.157 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.444 8.171 -8.894 1.00 0.00 H new ATOM 0 HG SER A 58 -1.138 8.068 -7.141 1.00 0.00 H new ATOM 903 N ILE A 59 -3.604 4.877 -9.520 1.00 0.00 N ATOM 904 CA ILE A 59 -4.832 4.431 -10.172 1.00 0.00 C ATOM 905 C ILE A 59 -6.028 5.244 -9.698 1.00 0.00 C ATOM 906 O ILE A 59 -6.481 5.101 -8.563 1.00 0.00 O ATOM 907 CB ILE A 59 -5.103 2.922 -9.932 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.217 2.384 -8.813 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.865 2.127 -11.205 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.594 0.999 -8.354 1.00 0.00 C ATOM 0 H ILE A 59 -3.360 4.352 -8.680 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.692 4.587 -11.242 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.146 2.812 -9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.182 2.375 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.267 3.065 -7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.060 1.071 -11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.533 2.485 -11.988 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.831 2.253 -11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.920 0.684 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.618 1.005 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.517 0.305 -9.191 1.00 0.00 H new ATOM 922 N GLU A 60 -6.526 6.104 -10.577 1.00 0.00 N ATOM 923 CA GLU A 60 -7.664 6.956 -10.258 1.00 0.00 C ATOM 924 C GLU A 60 -8.984 6.278 -10.603 1.00 0.00 C ATOM 925 O GLU A 60 -9.197 5.842 -11.735 1.00 0.00 O ATOM 926 CB GLU A 60 -7.554 8.287 -11.004 1.00 0.00 C ATOM 927 CG GLU A 60 -8.613 9.299 -10.599 1.00 0.00 C ATOM 928 CD GLU A 60 -8.815 10.380 -11.643 1.00 0.00 C ATOM 929 OE1 GLU A 60 -9.225 10.044 -12.774 1.00 0.00 O ATOM 930 OE2 GLU A 60 -8.563 11.564 -11.330 1.00 0.00 O ATOM 0 H GLU A 60 -6.158 6.230 -11.520 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.649 7.140 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.567 8.714 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.631 8.101 -12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.558 8.783 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.327 9.761 -9.654 1.00 0.00 H new ATOM 937 N GLU A 61 -9.869 6.202 -9.617 1.00 0.00 N ATOM 938 CA GLU A 61 -11.178 5.588 -9.804 1.00 0.00 C ATOM 939 C GLU A 61 -12.282 6.622 -9.611 1.00 0.00 C ATOM 940 O GLU A 61 -12.017 7.755 -9.207 1.00 0.00 O ATOM 941 CB GLU A 61 -11.367 4.430 -8.821 1.00 0.00 C ATOM 942 CG GLU A 61 -12.014 3.203 -9.442 1.00 0.00 C ATOM 943 CD GLU A 61 -12.176 2.066 -8.454 1.00 0.00 C ATOM 944 OE1 GLU A 61 -11.177 1.364 -8.189 1.00 0.00 O ATOM 945 OE2 GLU A 61 -13.300 1.880 -7.943 1.00 0.00 O ATOM 0 H GLU A 61 -9.703 6.559 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.235 5.200 -10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.396 4.150 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.980 4.770 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.991 3.475 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.409 2.865 -10.283 1.00 0.00 H new ATOM 952 N GLY A 62 -13.521 6.229 -9.899 1.00 0.00 N ATOM 953 CA GLY A 62 -14.645 7.140 -9.748 1.00 0.00 C ATOM 954 C GLY A 62 -14.614 7.895 -8.430 1.00 0.00 C ATOM 955 O GLY A 62 -15.131 9.007 -8.330 1.00 0.00 O ATOM 0 H GLY A 62 -13.767 5.297 -10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.642 7.854 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.576 6.577 -9.818 1.00 0.00 H new ATOM 959 N ASN A 63 -14.001 7.287 -7.418 1.00 0.00 N ATOM 960 CA ASN A 63 -13.897 7.906 -6.102 1.00 0.00 C ATOM 961 C ASN A 63 -12.870 7.176 -5.242 1.00 0.00 C ATOM 962 O ASN A 63 -13.035 7.056 -4.028 1.00 0.00 O ATOM 963 CB ASN A 63 -15.259 7.903 -5.405 1.00 0.00 C ATOM 964 CG ASN A 63 -15.866 6.516 -5.327 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.605 5.663 -6.176 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.681 6.283 -4.306 1.00 0.00 N ATOM 0 H ASN A 63 -13.569 6.366 -7.485 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.569 8.937 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.150 8.306 -4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.940 8.565 -5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.119 5.368 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.869 7.019 -3.625 1.00 0.00 H new ATOM 973 N TYR A 64 -11.810 6.688 -5.880 1.00 0.00 N ATOM 974 CA TYR A 64 -10.758 5.967 -5.174 1.00 0.00 C ATOM 975 C TYR A 64 -9.440 6.014 -5.944 1.00 0.00 C ATOM 976 O TYR A 64 -9.398 5.719 -7.137 1.00 0.00 O ATOM 977 CB TYR A 64 -11.162 4.504 -4.970 1.00 0.00 C ATOM 978 CG TYR A 64 -12.212 4.289 -3.902 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.565 4.377 -4.204 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.850 3.986 -2.594 1.00 0.00 C ATOM 981 CE1 TYR A 64 -14.528 4.173 -3.234 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.808 3.780 -1.619 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.143 3.876 -1.945 1.00 0.00 C ATOM 984 OH TYR A 64 -15.100 3.675 -0.977 1.00 0.00 O ATOM 0 H TYR A 64 -11.658 6.779 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.620 6.453 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.535 4.108 -5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.274 3.927 -4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.870 4.609 -5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.804 3.910 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.576 4.246 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.512 3.545 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.675 3.665 -0.094 1.00 0.00 H new ATOM 994 N ILE A 65 -8.361 6.358 -5.247 1.00 0.00 N ATOM 995 CA ILE A 65 -7.039 6.406 -5.862 1.00 0.00 C ATOM 996 C ILE A 65 -6.189 5.252 -5.359 1.00 0.00 C ATOM 997 O ILE A 65 -6.393 4.756 -4.252 1.00 0.00 O ATOM 998 CB ILE A 65 -6.288 7.728 -5.559 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.825 8.866 -6.431 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.779 7.559 -5.779 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.897 10.062 -6.488 1.00 0.00 C ATOM 0 H ILE A 65 -8.376 6.607 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.195 6.338 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.459 7.981 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.990 8.494 -7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.794 9.184 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.272 8.499 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.400 6.780 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.592 7.278 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.335 10.833 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.752 10.458 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.935 9.757 -6.900 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.223 4.845 -6.167 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.341 3.773 -5.769 1.00 0.00 C ATOM 1015 C GLY A 66 -2.897 4.078 -6.081 1.00 0.00 C ATOM 1016 O GLY A 66 -2.326 3.540 -7.030 1.00 0.00 O ATOM 0 H GLY A 66 -5.035 5.238 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.450 3.593 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.635 2.855 -6.278 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.306 4.949 -5.274 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.918 5.338 -5.456 1.00 0.00 C ATOM 1022 C HIS A 67 -0.004 4.113 -5.443 1.00 0.00 C ATOM 1023 O HIS A 67 -0.343 3.080 -4.866 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.488 6.315 -4.359 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.245 7.606 -4.373 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.288 8.443 -5.468 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.988 8.205 -3.414 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.025 9.501 -5.181 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.462 9.381 -3.941 1.00 0.00 N ATOM 0 H HIS A 67 -2.770 5.400 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.831 5.829 -6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.619 5.838 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.576 6.526 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.174 7.828 -2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.235 10.324 -5.848 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.055 10.053 -3.454 1.00 0.00 H new ATOM 1038 N VAL A 68 1.150 4.233 -6.087 1.00 0.00 N ATOM 1039 CA VAL A 68 2.109 3.136 -6.155 1.00 0.00 C ATOM 1040 C VAL A 68 3.543 3.667 -6.192 1.00 0.00 C ATOM 1041 O VAL A 68 3.834 4.650 -6.873 1.00 0.00 O ATOM 1042 CB VAL A 68 1.847 2.255 -7.404 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.100 1.559 -7.885 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.786 1.219 -7.141 1.00 0.00 C ATOM 0 H VAL A 68 1.446 5.081 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 68 1.982 2.528 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 68 1.502 2.937 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.867 0.954 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.852 2.303 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.486 0.917 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.630 0.621 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.105 0.571 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.146 1.714 -6.869 1.00 0.00 H new ATOM 1054 N TYR A 69 4.433 2.993 -5.472 1.00 0.00 N ATOM 1055 CA TYR A 69 5.840 3.373 -5.434 1.00 0.00 C ATOM 1056 C TYR A 69 6.720 2.130 -5.382 1.00 0.00 C ATOM 1057 O TYR A 69 6.737 1.411 -4.382 1.00 0.00 O ATOM 1058 CB TYR A 69 6.129 4.260 -4.220 1.00 0.00 C ATOM 1059 CG TYR A 69 6.099 5.742 -4.520 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.916 6.372 -4.886 1.00 0.00 C ATOM 1061 CD2 TYR A 69 7.252 6.510 -4.432 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.885 7.727 -5.157 1.00 0.00 C ATOM 1063 CE2 TYR A 69 7.228 7.865 -4.701 1.00 0.00 C ATOM 1064 CZ TYR A 69 6.043 8.468 -5.063 1.00 0.00 C ATOM 1065 OH TYR A 69 6.014 9.817 -5.333 1.00 0.00 O ATOM 0 H TYR A 69 4.203 2.177 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 69 6.065 3.935 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.398 4.042 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.109 4.001 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.007 5.794 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.183 6.041 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.958 8.203 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.134 8.449 -4.628 1.00 0.00 H new ATOM 0 HH TYR A 69 6.865 10.222 -5.066 1.00 0.00 H new ATOM 1075 N ALA A 70 7.443 1.878 -6.465 1.00 0.00 N ATOM 1076 CA ALA A 70 8.319 0.713 -6.538 1.00 0.00 C ATOM 1077 C ALA A 70 9.749 1.064 -6.141 1.00 0.00 C ATOM 1078 O ALA A 70 10.184 2.207 -6.285 1.00 0.00 O ATOM 1079 CB ALA A 70 8.291 0.116 -7.936 1.00 0.00 C ATOM 0 H ALA A 70 7.442 2.461 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 70 7.948 -0.027 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.949 -0.752 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.274 -0.189 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.630 0.860 -8.656 1.00 0.00 H new ATOM 1085 N ARG A 71 10.476 0.067 -5.644 1.00 0.00 N ATOM 1086 CA ARG A 71 11.861 0.257 -5.228 1.00 0.00 C ATOM 1087 C ARG A 71 12.790 0.280 -6.437 1.00 0.00 C ATOM 1088 O ARG A 71 12.342 0.180 -7.579 1.00 0.00 O ATOM 1089 CB ARG A 71 12.284 -0.853 -4.262 1.00 0.00 C ATOM 1090 CG ARG A 71 12.319 -0.413 -2.807 1.00 0.00 C ATOM 1091 CD ARG A 71 13.695 0.101 -2.410 1.00 0.00 C ATOM 1092 NE ARG A 71 13.627 1.420 -1.785 1.00 0.00 N ATOM 1093 CZ ARG A 71 14.650 2.271 -1.730 1.00 0.00 C ATOM 1094 NH1 ARG A 71 15.825 1.944 -2.254 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.497 3.452 -1.146 1.00 0.00 N ATOM 0 H ARG A 71 10.127 -0.883 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 71 11.934 1.217 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.596 -1.692 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.272 -1.215 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.577 0.369 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.044 -1.251 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.160 -0.603 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.332 0.151 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 71 12.742 1.706 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.949 1.036 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.604 2.601 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.597 3.707 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.279 4.105 -1.103 1.00 0.00 H new ATOM 1109 N SER A 72 14.088 0.415 -6.177 1.00 0.00 N ATOM 1110 CA SER A 72 15.087 0.453 -7.242 1.00 0.00 C ATOM 1111 C SER A 72 14.846 -0.650 -8.270 1.00 0.00 C ATOM 1112 O SER A 72 14.854 -0.398 -9.475 1.00 0.00 O ATOM 1113 CB SER A 72 16.493 0.318 -6.654 1.00 0.00 C ATOM 1114 OG SER A 72 17.483 0.619 -7.622 1.00 0.00 O ATOM 0 H SER A 72 14.473 0.500 -5.236 1.00 0.00 H new ATOM 0 HA SER A 72 14.998 1.414 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.599 0.988 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.639 -0.696 -6.283 1.00 0.00 H new ATOM 0 HG SER A 72 18.372 0.527 -7.220 1.00 0.00 H new ATOM 1120 N GLU A 73 14.631 -1.872 -7.790 1.00 0.00 N ATOM 1121 CA GLU A 73 14.388 -3.006 -8.678 1.00 0.00 C ATOM 1122 C GLU A 73 14.167 -4.291 -7.885 1.00 0.00 C ATOM 1123 O GLU A 73 15.119 -4.918 -7.423 1.00 0.00 O ATOM 1124 CB GLU A 73 15.563 -3.186 -9.642 1.00 0.00 C ATOM 1125 CG GLU A 73 15.140 -3.556 -11.054 1.00 0.00 C ATOM 1126 CD GLU A 73 14.831 -5.034 -11.201 1.00 0.00 C ATOM 1127 OE1 GLU A 73 15.291 -5.824 -10.351 1.00 0.00 O ATOM 1128 OE2 GLU A 73 14.127 -5.400 -12.167 1.00 0.00 O ATOM 0 H GLU A 73 14.620 -2.102 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 73 13.483 -2.796 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.140 -2.262 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.224 -3.961 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.260 -2.975 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.933 -3.283 -11.750 1.00 0.00 H new ATOM 1135 N GLY A 74 12.903 -4.679 -7.735 1.00 0.00 N ATOM 1136 CA GLY A 74 12.581 -5.890 -7.003 1.00 0.00 C ATOM 1137 C GLY A 74 11.129 -5.944 -6.579 1.00 0.00 C ATOM 1138 O GLY A 74 10.269 -6.390 -7.340 1.00 0.00 O ATOM 0 H GLY A 74 12.097 -4.176 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.807 -6.757 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.216 -5.956 -6.120 1.00 0.00 H new ATOM 1142 N ILE A 75 10.851 -5.490 -5.362 1.00 0.00 N ATOM 1143 CA ILE A 75 9.488 -5.490 -4.843 1.00 0.00 C ATOM 1144 C ILE A 75 8.973 -4.059 -4.692 1.00 0.00 C ATOM 1145 O ILE A 75 9.675 -3.184 -4.184 1.00 0.00 O ATOM 1146 CB ILE A 75 9.377 -6.283 -3.502 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.124 -5.373 -2.290 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.623 -7.126 -3.265 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.294 -4.482 -1.926 1.00 0.00 C ATOM 0 H ILE A 75 11.549 -5.118 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 75 8.855 -6.005 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 75 8.511 -6.936 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.255 -4.747 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.874 -5.994 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.522 -7.669 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.743 -7.836 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.498 -6.477 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.032 -3.873 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.160 -5.099 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.533 -3.833 -2.768 1.00 0.00 H new ATOM 1161 N CYS A 76 7.753 -3.819 -5.166 1.00 0.00 N ATOM 1162 CA CYS A 76 7.159 -2.488 -5.110 1.00 0.00 C ATOM 1163 C CYS A 76 6.041 -2.405 -4.078 1.00 0.00 C ATOM 1164 O CYS A 76 5.208 -3.302 -3.971 1.00 0.00 O ATOM 1165 CB CYS A 76 6.622 -2.095 -6.487 1.00 0.00 C ATOM 1166 SG CYS A 76 5.293 -3.162 -7.091 1.00 0.00 S ATOM 0 H CYS A 76 7.158 -4.529 -5.593 1.00 0.00 H new ATOM 0 HA CYS A 76 7.942 -1.793 -4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.258 -1.068 -6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.443 -2.113 -7.204 1.00 0.00 H new ATOM 0 HG CYS A 76 5.180 -4.197 -6.312 1.00 0.00 H new ATOM 1172 N GLY A 77 6.019 -1.304 -3.335 1.00 0.00 N ATOM 1173 CA GLY A 77 4.987 -1.107 -2.337 1.00 0.00 C ATOM 1174 C GLY A 77 3.800 -0.367 -2.906 1.00 0.00 C ATOM 1175 O GLY A 77 3.971 0.599 -3.648 1.00 0.00 O ATOM 0 H GLY A 77 6.697 -0.546 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.663 -2.074 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.396 -0.548 -1.495 1.00 0.00 H new ATOM 1179 N VAL A 78 2.592 -0.816 -2.579 1.00 0.00 N ATOM 1180 CA VAL A 78 1.402 -0.168 -3.098 1.00 0.00 C ATOM 1181 C VAL A 78 0.689 0.648 -2.022 1.00 0.00 C ATOM 1182 O VAL A 78 0.656 0.271 -0.845 1.00 0.00 O ATOM 1183 CB VAL A 78 0.435 -1.191 -3.737 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.020 -0.743 -3.641 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.825 -1.455 -5.184 1.00 0.00 C ATOM 0 H VAL A 78 2.417 -1.613 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 78 1.729 0.521 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 78 0.521 -2.120 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.663 -1.493 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.296 -0.624 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.143 0.209 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.135 -2.177 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.781 -0.524 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.839 -1.854 -5.221 1.00 0.00 H new ATOM 1195 N LEU A 79 0.126 1.775 -2.448 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.587 2.677 -1.553 1.00 0.00 C ATOM 1197 C LEU A 79 -1.912 3.116 -2.172 1.00 0.00 C ATOM 1198 O LEU A 79 -1.925 3.867 -3.141 1.00 0.00 O ATOM 1199 CB LEU A 79 0.285 3.899 -1.269 1.00 0.00 C ATOM 1200 CG LEU A 79 0.343 4.329 0.193 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.383 5.421 0.381 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.022 4.811 0.651 1.00 0.00 C ATOM 0 H LEU A 79 0.152 2.087 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.802 2.154 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.299 3.689 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.084 4.735 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 79 0.631 3.471 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.413 5.718 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.362 5.047 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.121 6.283 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.969 5.115 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.332 5.660 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.747 4.004 0.545 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.026 2.644 -1.616 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.342 3.003 -2.145 1.00 0.00 C ATOM 1216 C ILE A 80 -5.126 3.884 -1.173 1.00 0.00 C ATOM 1217 O ILE A 80 -5.411 3.484 -0.045 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.190 1.752 -2.501 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.469 0.467 -2.095 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.505 1.728 -3.989 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.121 -0.791 -2.635 1.00 0.00 C ATOM 0 H ILE A 80 -3.046 2.020 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.152 3.567 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.125 1.811 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.438 0.512 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.432 0.409 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.100 0.845 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.066 2.624 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.575 1.699 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.556 -1.663 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.143 -0.860 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.134 -0.755 -3.724 1.00 0.00 H new ATOM 1233 N THR A 81 -5.479 5.084 -1.631 1.00 0.00 N ATOM 1234 CA THR A 81 -6.241 6.029 -0.817 1.00 0.00 C ATOM 1235 C THR A 81 -7.264 6.778 -1.675 1.00 0.00 C ATOM 1236 O THR A 81 -7.442 6.463 -2.849 1.00 0.00 O ATOM 1237 CB THR A 81 -5.305 7.009 -0.095 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.993 8.190 0.273 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.100 7.420 -0.907 1.00 0.00 C ATOM 0 H THR A 81 -5.249 5.425 -2.564 1.00 0.00 H new ATOM 0 HA THR A 81 -6.784 5.465 -0.058 1.00 0.00 H new ATOM 0 HB THR A 81 -4.957 6.461 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.539 8.610 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.490 8.112 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.511 6.537 -1.156 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.429 7.907 -1.825 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.946 7.755 -1.081 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.962 8.526 -1.793 1.00 0.00 C ATOM 1249 C ASP A 82 -8.338 9.637 -2.632 1.00 0.00 C ATOM 1250 O ASP A 82 -7.182 10.008 -2.431 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.959 9.123 -0.798 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.163 9.739 -1.484 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -12.110 8.990 -1.807 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -11.159 10.969 -1.700 1.00 0.00 O ATOM 0 H ASP A 82 -7.813 8.031 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.482 7.847 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.294 8.345 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.458 9.883 -0.198 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.119 10.166 -3.570 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.655 11.241 -4.441 1.00 0.00 C ATOM 1261 C LYS A 83 -8.178 12.436 -3.624 1.00 0.00 C ATOM 1262 O LYS A 83 -7.343 13.217 -4.079 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.770 11.671 -5.396 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.316 12.666 -6.452 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.005 11.978 -7.772 1.00 0.00 C ATOM 1266 CE LYS A 83 -9.677 12.681 -8.941 1.00 0.00 C ATOM 1267 NZ LYS A 83 -8.753 13.625 -9.629 1.00 0.00 N ATOM 0 H LYS A 83 -10.078 9.867 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.814 10.865 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.174 10.788 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.582 12.112 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.093 13.415 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.430 13.194 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.926 11.960 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.338 10.941 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.034 11.938 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.551 13.225 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.265 14.497 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.958 13.854 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.390 13.184 -10.498 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.705 12.569 -2.408 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.321 13.663 -1.522 1.00 0.00 C ATOM 1283 C GLN A 84 -7.105 13.267 -0.689 1.00 0.00 C ATOM 1284 O GLN A 84 -7.019 13.577 0.499 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.485 14.040 -0.603 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.558 14.868 -1.290 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.668 14.015 -1.872 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.513 13.413 -2.934 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.798 13.961 -1.177 1.00 0.00 N ATOM 0 H GLN A 84 -9.399 11.932 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.064 14.528 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.937 13.129 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.098 14.598 0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.983 15.572 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.103 15.458 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.883 14.476 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.581 13.404 -1.519 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.174 12.571 -1.329 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.961 12.110 -0.680 1.00 0.00 C ATOM 1300 C TYR A 85 -3.772 12.319 -1.613 1.00 0.00 C ATOM 1301 O TYR A 85 -3.341 11.397 -2.303 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.110 10.633 -0.326 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.060 10.099 0.620 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.737 9.965 0.220 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.399 9.706 1.910 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.783 9.456 1.075 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.448 9.200 2.772 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.142 9.075 2.347 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.191 8.565 3.196 1.00 0.00 O ATOM 0 H TYR A 85 -6.242 12.312 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.790 12.678 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.093 10.478 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.081 10.049 -1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.451 10.264 -0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.422 9.798 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.759 9.357 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.725 8.904 3.773 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.393 8.318 2.683 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.240 13.550 -1.659 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.109 13.894 -2.521 1.00 0.00 C ATOM 1321 C PRO A 86 -1.013 12.833 -2.513 1.00 0.00 C ATOM 1322 O PRO A 86 -0.960 11.985 -1.622 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.606 15.197 -1.912 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.825 15.838 -1.347 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.713 14.714 -0.881 1.00 0.00 C ATOM 0 HA PRO A 86 -2.399 13.974 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.860 15.012 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.136 15.831 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.569 16.500 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.329 16.446 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.616 14.545 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.764 14.926 -1.077 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.144 12.886 -3.518 1.00 0.00 N ATOM 1334 CA VAL A 87 0.948 11.929 -3.639 1.00 0.00 C ATOM 1335 C VAL A 87 2.073 12.238 -2.655 1.00 0.00 C ATOM 1336 O VAL A 87 2.728 11.327 -2.147 1.00 0.00 O ATOM 1337 CB VAL A 87 1.524 11.914 -5.068 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.507 10.768 -5.234 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.405 11.819 -6.095 1.00 0.00 C ATOM 0 H VAL A 87 -0.176 13.584 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 87 0.531 10.949 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 87 2.059 12.849 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.904 10.773 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.326 10.885 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.998 9.822 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.832 11.810 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.161 10.902 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.258 12.678 -5.991 1.00 0.00 H new ATOM 1349 N ARG A 88 2.296 13.527 -2.397 1.00 0.00 N ATOM 1350 CA ARG A 88 3.354 13.962 -1.476 1.00 0.00 C ATOM 1351 C ARG A 88 3.442 13.045 -0.254 1.00 0.00 C ATOM 1352 O ARG A 88 4.474 12.411 -0.021 1.00 0.00 O ATOM 1353 CB ARG A 88 3.151 15.420 -1.021 1.00 0.00 C ATOM 1354 CG ARG A 88 1.810 16.032 -1.405 1.00 0.00 C ATOM 1355 CD ARG A 88 1.882 16.741 -2.748 1.00 0.00 C ATOM 1356 NE ARG A 88 1.652 18.178 -2.622 1.00 0.00 N ATOM 1357 CZ ARG A 88 2.012 19.071 -3.540 1.00 0.00 C ATOM 1358 NH1 ARG A 88 2.620 18.681 -4.654 1.00 0.00 N ATOM 1359 NH2 ARG A 88 1.763 20.360 -3.345 1.00 0.00 N ATOM 0 H ARG A 88 1.760 14.290 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 88 4.292 13.902 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.257 15.465 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.947 16.032 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.051 15.251 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.499 16.739 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.860 16.569 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.141 16.313 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 88 1.187 18.517 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.814 17.692 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.893 19.371 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.296 20.666 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.039 21.045 -4.049 1.00 0.00 H new ATOM 1373 N PRO A 89 2.361 12.944 0.539 1.00 0.00 N ATOM 1374 CA PRO A 89 2.344 12.081 1.718 1.00 0.00 C ATOM 1375 C PRO A 89 2.421 10.619 1.322 1.00 0.00 C ATOM 1376 O PRO A 89 2.938 9.791 2.070 1.00 0.00 O ATOM 1377 CB PRO A 89 1.008 12.401 2.391 1.00 0.00 C ATOM 1378 CG PRO A 89 0.150 12.934 1.296 1.00 0.00 C ATOM 1379 CD PRO A 89 1.076 13.638 0.341 1.00 0.00 C ATOM 0 HA PRO A 89 3.195 12.253 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.568 11.511 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.132 13.133 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.387 12.128 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.600 13.621 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.729 13.556 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.154 14.701 0.567 1.00 0.00 H new ATOM 1387 N ALA A 90 1.946 10.312 0.119 1.00 0.00 N ATOM 1388 CA ALA A 90 2.018 8.955 -0.384 1.00 0.00 C ATOM 1389 C ALA A 90 3.476 8.613 -0.624 1.00 0.00 C ATOM 1390 O ALA A 90 3.886 7.458 -0.523 1.00 0.00 O ATOM 1391 CB ALA A 90 1.204 8.805 -1.661 1.00 0.00 C ATOM 0 H ALA A 90 1.512 10.981 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 90 1.594 8.266 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.274 7.778 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.161 9.048 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.593 9.481 -2.422 1.00 0.00 H new ATOM 1397 N TYR A 91 4.267 9.651 -0.899 1.00 0.00 N ATOM 1398 CA TYR A 91 5.692 9.488 -1.101 1.00 0.00 C ATOM 1399 C TYR A 91 6.333 9.162 0.238 1.00 0.00 C ATOM 1400 O TYR A 91 7.103 8.210 0.360 1.00 0.00 O ATOM 1401 CB TYR A 91 6.301 10.765 -1.686 1.00 0.00 C ATOM 1402 CG TYR A 91 7.555 10.533 -2.500 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.552 9.675 -2.052 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.743 11.177 -3.716 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.699 9.465 -2.794 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.888 10.972 -4.464 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.862 10.114 -3.999 1.00 0.00 C ATOM 1408 OH TYR A 91 11.002 9.908 -4.740 1.00 0.00 O ATOM 0 H TYR A 91 3.936 10.612 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 91 5.874 8.678 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.557 11.254 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.531 11.452 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.429 9.164 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.982 11.849 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.464 8.795 -2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.019 11.481 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 91 10.958 10.440 -5.562 1.00 0.00 H new ATOM 1418 N THR A 92 5.974 9.948 1.254 1.00 0.00 N ATOM 1419 CA THR A 92 6.485 9.734 2.601 1.00 0.00 C ATOM 1420 C THR A 92 6.063 8.361 3.102 1.00 0.00 C ATOM 1421 O THR A 92 6.849 7.629 3.701 1.00 0.00 O ATOM 1422 CB THR A 92 5.949 10.804 3.544 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.041 12.089 2.954 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.674 10.850 4.870 1.00 0.00 C ATOM 0 H THR A 92 5.332 10.736 1.166 1.00 0.00 H new ATOM 0 HA THR A 92 7.573 9.793 2.575 1.00 0.00 H new ATOM 0 HB THR A 92 4.910 10.531 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.690 12.760 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.243 11.633 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.573 9.889 5.373 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.730 11.061 4.700 1.00 0.00 H new ATOM 1432 N LEU A 93 4.807 8.025 2.841 1.00 0.00 N ATOM 1433 CA LEU A 93 4.252 6.742 3.245 1.00 0.00 C ATOM 1434 C LEU A 93 4.983 5.619 2.536 1.00 0.00 C ATOM 1435 O LEU A 93 5.574 4.746 3.174 1.00 0.00 O ATOM 1436 CB LEU A 93 2.753 6.700 2.924 1.00 0.00 C ATOM 1437 CG LEU A 93 1.954 5.502 3.472 1.00 0.00 C ATOM 1438 CD1 LEU A 93 2.780 4.223 3.496 1.00 0.00 C ATOM 1439 CD2 LEU A 93 1.418 5.809 4.859 1.00 0.00 C ATOM 0 H LEU A 93 4.150 8.629 2.347 1.00 0.00 H new ATOM 0 HA LEU A 93 4.380 6.614 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.299 7.614 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.638 6.717 1.840 1.00 0.00 H new ATOM 0 HG LEU A 93 1.117 5.337 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.175 3.406 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.103 3.980 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.654 4.366 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.856 4.952 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.249 6.017 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.763 6.679 4.812 1.00 0.00 H new ATOM 1451 N LEU A 94 4.951 5.650 1.213 1.00 0.00 N ATOM 1452 CA LEU A 94 5.624 4.637 0.426 1.00 0.00 C ATOM 1453 C LEU A 94 7.134 4.682 0.663 1.00 0.00 C ATOM 1454 O LEU A 94 7.864 3.774 0.256 1.00 0.00 O ATOM 1455 CB LEU A 94 5.303 4.814 -1.057 1.00 0.00 C ATOM 1456 CG LEU A 94 3.939 4.261 -1.480 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.345 5.095 -2.604 1.00 0.00 C ATOM 1458 CD2 LEU A 94 4.056 2.801 -1.893 1.00 0.00 C ATOM 0 H LEU A 94 4.468 6.363 0.667 1.00 0.00 H new ATOM 0 HA LEU A 94 5.262 3.659 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.342 5.876 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.079 4.323 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 94 3.267 4.319 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.376 4.684 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.218 6.123 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.014 5.076 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.076 2.427 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.747 2.714 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.429 2.214 -1.054 1.00 0.00 H new ATOM 1470 N ASN A 95 7.597 5.731 1.347 1.00 0.00 N ATOM 1471 CA ASN A 95 9.019 5.867 1.647 1.00 0.00 C ATOM 1472 C ASN A 95 9.413 4.952 2.799 1.00 0.00 C ATOM 1473 O ASN A 95 10.252 4.066 2.644 1.00 0.00 O ATOM 1474 CB ASN A 95 9.368 7.318 1.990 1.00 0.00 C ATOM 1475 CG ASN A 95 10.850 7.510 2.248 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.660 6.622 1.978 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.213 8.673 2.776 1.00 0.00 N ATOM 0 H ASN A 95 7.013 6.490 1.699 1.00 0.00 H new ATOM 0 HA ASN A 95 9.578 5.576 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.057 7.967 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.806 7.626 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.196 8.859 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.509 9.381 2.984 1.00 0.00 H new ATOM 1484 N LYS A 96 8.800 5.178 3.955 1.00 0.00 N ATOM 1485 CA LYS A 96 9.082 4.378 5.139 1.00 0.00 C ATOM 1486 C LYS A 96 8.796 2.902 4.882 1.00 0.00 C ATOM 1487 O LYS A 96 9.536 2.034 5.336 1.00 0.00 O ATOM 1488 CB LYS A 96 8.250 4.872 6.324 1.00 0.00 C ATOM 1489 CG LYS A 96 8.976 5.885 7.197 1.00 0.00 C ATOM 1490 CD LYS A 96 8.396 7.280 7.036 1.00 0.00 C ATOM 1491 CE LYS A 96 9.489 8.326 6.887 1.00 0.00 C ATOM 1492 NZ LYS A 96 9.017 9.684 7.275 1.00 0.00 N ATOM 0 H LYS A 96 8.104 5.910 4.097 1.00 0.00 H new ATOM 0 HA LYS A 96 10.140 4.487 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.330 5.321 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.962 4.018 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.908 5.581 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.034 5.898 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.745 7.306 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.777 7.520 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.343 8.049 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.835 8.344 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.621 10.403 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.034 9.813 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.065 9.786 8.309 1.00 0.00 H new ATOM 1506 N ILE A 97 7.715 2.627 4.159 1.00 0.00 N ATOM 1507 CA ILE A 97 7.325 1.262 3.849 1.00 0.00 C ATOM 1508 C ILE A 97 8.395 0.539 3.041 1.00 0.00 C ATOM 1509 O ILE A 97 8.891 -0.509 3.453 1.00 0.00 O ATOM 1510 CB ILE A 97 5.985 1.256 3.090 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.348 -0.120 3.073 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.131 1.763 1.670 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.981 -0.094 2.438 1.00 0.00 C ATOM 0 H ILE A 97 7.092 3.338 3.776 1.00 0.00 H new ATOM 0 HA ILE A 97 7.208 0.726 4.791 1.00 0.00 H new ATOM 0 HB ILE A 97 5.331 1.937 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.990 -0.811 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.268 -0.497 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.161 1.741 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.507 2.786 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.831 1.128 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.558 -1.098 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.332 0.577 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.064 0.258 1.410 1.00 0.00 H new ATOM 1525 N LEU A 98 8.757 1.096 1.894 1.00 0.00 N ATOM 1526 CA LEU A 98 9.774 0.484 1.054 1.00 0.00 C ATOM 1527 C LEU A 98 11.088 0.370 1.818 1.00 0.00 C ATOM 1528 O LEU A 98 11.755 -0.666 1.774 1.00 0.00 O ATOM 1529 CB LEU A 98 9.960 1.284 -0.237 1.00 0.00 C ATOM 1530 CG LEU A 98 9.370 0.630 -1.491 1.00 0.00 C ATOM 1531 CD1 LEU A 98 7.936 0.177 -1.249 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.432 1.588 -2.669 1.00 0.00 C ATOM 0 H LEU A 98 8.365 1.963 1.527 1.00 0.00 H new ATOM 0 HA LEU A 98 9.446 -0.519 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.504 2.266 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.026 1.446 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 98 9.968 -0.251 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.542 -0.283 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.916 -0.548 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.322 1.038 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.009 1.108 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.862 2.487 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.470 1.857 -2.865 1.00 0.00 H new ATOM 1544 N ASP A 99 11.433 1.424 2.555 1.00 0.00 N ATOM 1545 CA ASP A 99 12.646 1.424 3.361 1.00 0.00 C ATOM 1546 C ASP A 99 12.488 0.436 4.506 1.00 0.00 C ATOM 1547 O ASP A 99 13.461 -0.140 4.995 1.00 0.00 O ATOM 1548 CB ASP A 99 12.932 2.826 3.904 1.00 0.00 C ATOM 1549 CG ASP A 99 14.059 3.514 3.159 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.173 2.950 3.117 1.00 0.00 O ATOM 1551 OD2 ASP A 99 13.827 4.614 2.617 1.00 0.00 O ATOM 0 H ASP A 99 10.890 2.285 2.609 1.00 0.00 H new ATOM 0 HA ASP A 99 13.489 1.125 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.029 3.432 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.187 2.758 4.962 1.00 0.00 H new ATOM 1556 N GLU A 100 11.239 0.236 4.911 1.00 0.00 N ATOM 1557 CA GLU A 100 10.909 -0.690 5.978 1.00 0.00 C ATOM 1558 C GLU A 100 10.982 -2.122 5.466 1.00 0.00 C ATOM 1559 O GLU A 100 11.271 -3.051 6.220 1.00 0.00 O ATOM 1560 CB GLU A 100 9.514 -0.383 6.519 1.00 0.00 C ATOM 1561 CG GLU A 100 9.018 -1.388 7.547 1.00 0.00 C ATOM 1562 CD GLU A 100 9.646 -1.188 8.913 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.377 -0.191 9.092 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.406 -2.029 9.804 1.00 0.00 O ATOM 0 H GLU A 100 10.432 0.712 4.508 1.00 0.00 H new ATOM 0 HA GLU A 100 11.629 -0.576 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.520 0.610 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.811 -0.352 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.935 -1.307 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.235 -2.397 7.196 1.00 0.00 H new ATOM 1571 N TYR A 101 10.730 -2.288 4.171 1.00 0.00 N ATOM 1572 CA TYR A 101 10.779 -3.599 3.549 1.00 0.00 C ATOM 1573 C TYR A 101 12.224 -4.046 3.359 1.00 0.00 C ATOM 1574 O TYR A 101 12.519 -5.239 3.378 1.00 0.00 O ATOM 1575 CB TYR A 101 10.056 -3.582 2.203 1.00 0.00 C ATOM 1576 CG TYR A 101 9.472 -4.923 1.825 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.218 -5.851 1.110 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.177 -5.265 2.194 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.690 -7.081 0.770 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.643 -6.493 1.859 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.402 -7.398 1.148 1.00 0.00 C ATOM 1582 OH TYR A 101 7.873 -8.623 0.813 1.00 0.00 O ATOM 0 H TYR A 101 10.490 -1.528 3.535 1.00 0.00 H new ATOM 0 HA TYR A 101 10.276 -4.307 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.257 -2.841 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.753 -3.265 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.228 -5.607 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.579 -4.559 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.282 -7.791 0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.634 -6.744 2.153 1.00 0.00 H new ATOM 0 HH TYR A 101 7.484 -9.041 1.610 1.00 0.00 H new ATOM 1592 N LEU A 102 13.121 -3.081 3.171 1.00 0.00 N ATOM 1593 CA LEU A 102 14.537 -3.387 2.975 1.00 0.00 C ATOM 1594 C LEU A 102 15.192 -3.857 4.271 1.00 0.00 C ATOM 1595 O LEU A 102 16.126 -4.658 4.247 1.00 0.00 O ATOM 1596 CB LEU A 102 15.297 -2.167 2.444 1.00 0.00 C ATOM 1597 CG LEU A 102 14.488 -1.210 1.572 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.388 -0.130 0.996 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.779 -1.967 0.459 1.00 0.00 C ATOM 0 H LEU A 102 12.895 -2.086 3.150 1.00 0.00 H new ATOM 0 HA LEU A 102 14.587 -4.191 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.691 -1.610 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.153 -2.518 1.868 1.00 0.00 H new ATOM 0 HG LEU A 102 13.731 -0.733 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.797 0.544 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.847 0.433 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.167 -0.591 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.208 -1.267 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.517 -2.473 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.104 -2.704 0.893 1.00 0.00 H new ATOM 1611 N VAL A 103 14.716 -3.344 5.402 1.00 0.00 N ATOM 1612 CA VAL A 103 15.285 -3.709 6.694 1.00 0.00 C ATOM 1613 C VAL A 103 14.945 -5.139 7.083 1.00 0.00 C ATOM 1614 O VAL A 103 15.832 -5.916 7.438 1.00 0.00 O ATOM 1615 CB VAL A 103 14.816 -2.767 7.817 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.043 -3.418 9.174 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.535 -1.429 7.730 1.00 0.00 C ATOM 0 H VAL A 103 13.944 -2.679 5.450 1.00 0.00 H new ATOM 0 HA VAL A 103 16.365 -3.617 6.577 1.00 0.00 H new ATOM 0 HB VAL A 103 13.749 -2.582 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.708 -2.743 9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.479 -4.349 9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.105 -3.628 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.189 -0.777 8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.609 -1.586 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.322 -0.964 6.768 1.00 0.00 H new ATOM 1627 N ALA A 104 13.662 -5.485 7.023 1.00 0.00 N ATOM 1628 CA ALA A 104 13.217 -6.830 7.377 1.00 0.00 C ATOM 1629 C ALA A 104 14.122 -7.893 6.757 1.00 0.00 C ATOM 1630 O ALA A 104 14.164 -9.035 7.214 1.00 0.00 O ATOM 1631 CB ALA A 104 11.776 -7.037 6.938 1.00 0.00 C ATOM 0 H ALA A 104 12.914 -4.855 6.734 1.00 0.00 H new ATOM 0 HA ALA A 104 13.275 -6.933 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.455 -8.043 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.136 -6.307 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.703 -6.909 5.858 1.00 0.00 H new ATOM 1637 N HIS A 105 14.843 -7.502 5.711 1.00 0.00 N ATOM 1638 CA HIS A 105 15.748 -8.397 5.018 1.00 0.00 C ATOM 1639 C HIS A 105 16.523 -7.632 3.942 1.00 0.00 C ATOM 1640 O HIS A 105 15.933 -6.875 3.173 1.00 0.00 O ATOM 1641 CB HIS A 105 14.967 -9.550 4.385 1.00 0.00 C ATOM 1642 CG HIS A 105 13.687 -9.123 3.731 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.898 -9.979 2.992 1.00 0.00 N ATOM 1644 CD2 HIS A 105 13.059 -7.920 3.703 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.844 -9.324 2.538 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.919 -8.075 2.956 1.00 0.00 N ATOM 0 H HIS A 105 14.813 -6.558 5.325 1.00 0.00 H new ATOM 0 HA HIS A 105 16.457 -8.807 5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.598 -10.041 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.743 -10.290 5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.394 -7.011 4.180 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.055 -9.740 1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.238 -7.342 2.756 1.00 0.00 H new ATOM 1655 N PRO A 106 17.858 -7.812 3.890 1.00 0.00 N ATOM 1656 CA PRO A 106 18.732 -7.141 2.925 1.00 0.00 C ATOM 1657 C PRO A 106 18.063 -6.849 1.581 1.00 0.00 C ATOM 1658 O PRO A 106 17.092 -7.499 1.197 1.00 0.00 O ATOM 1659 CB PRO A 106 19.863 -8.150 2.759 1.00 0.00 C ATOM 1660 CG PRO A 106 19.969 -8.837 4.085 1.00 0.00 C ATOM 1661 CD PRO A 106 18.636 -8.682 4.786 1.00 0.00 C ATOM 0 HA PRO A 106 19.042 -6.156 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.643 -8.861 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.798 -7.655 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.212 -9.891 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.769 -8.398 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.147 -9.645 4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.754 -8.234 5.773 1.00 0.00 H new ATOM 1669 N LYS A 107 18.591 -5.849 0.884 1.00 0.00 N ATOM 1670 CA LYS A 107 18.055 -5.432 -0.409 1.00 0.00 C ATOM 1671 C LYS A 107 17.876 -6.605 -1.375 1.00 0.00 C ATOM 1672 O LYS A 107 16.766 -6.896 -1.812 1.00 0.00 O ATOM 1673 CB LYS A 107 18.969 -4.379 -1.039 1.00 0.00 C ATOM 1674 CG LYS A 107 18.678 -2.964 -0.568 1.00 0.00 C ATOM 1675 CD LYS A 107 19.674 -1.970 -1.142 1.00 0.00 C ATOM 1676 CE LYS A 107 19.027 -0.620 -1.411 1.00 0.00 C ATOM 1677 NZ LYS A 107 19.621 0.459 -0.574 1.00 0.00 N ATOM 0 H LYS A 107 19.397 -5.307 1.195 1.00 0.00 H new ATOM 0 HA LYS A 107 17.068 -5.008 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.006 -4.624 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.865 -4.421 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.668 -2.681 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.712 -2.928 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.504 -1.844 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.091 -2.365 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.142 -0.366 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.957 -0.685 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 19.152 1.362 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.489 0.230 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.637 0.539 -0.781 1.00 0.00 H new ATOM 1691 N GLU A 108 18.974 -7.261 -1.725 1.00 0.00 N ATOM 1692 CA GLU A 108 18.921 -8.381 -2.660 1.00 0.00 C ATOM 1693 C GLU A 108 18.261 -9.608 -2.040 1.00 0.00 C ATOM 1694 O GLU A 108 17.690 -10.434 -2.750 1.00 0.00 O ATOM 1695 CB GLU A 108 20.328 -8.733 -3.148 1.00 0.00 C ATOM 1696 CG GLU A 108 20.689 -8.089 -4.476 1.00 0.00 C ATOM 1697 CD GLU A 108 20.623 -6.575 -4.428 1.00 0.00 C ATOM 1698 OE1 GLU A 108 19.499 -6.029 -4.438 1.00 0.00 O ATOM 1699 OE2 GLU A 108 21.695 -5.935 -4.382 1.00 0.00 O ATOM 0 H GLU A 108 19.908 -7.040 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 108 18.312 -8.069 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.053 -8.424 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.410 -9.816 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.695 -8.396 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.012 -8.454 -5.248 1.00 0.00 H new ATOM 1706 N GLU A 109 18.348 -9.731 -0.717 1.00 0.00 N ATOM 1707 CA GLU A 109 17.757 -10.871 -0.015 1.00 0.00 C ATOM 1708 C GLU A 109 16.360 -11.188 -0.547 1.00 0.00 C ATOM 1709 O GLU A 109 16.054 -12.338 -0.863 1.00 0.00 O ATOM 1710 CB GLU A 109 17.691 -10.599 1.490 1.00 0.00 C ATOM 1711 CG GLU A 109 16.896 -11.640 2.261 1.00 0.00 C ATOM 1712 CD GLU A 109 17.353 -11.776 3.700 1.00 0.00 C ATOM 1713 OE1 GLU A 109 18.579 -11.807 3.932 1.00 0.00 O ATOM 1714 OE2 GLU A 109 16.485 -11.851 4.594 1.00 0.00 O ATOM 0 H GLU A 109 18.819 -9.059 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 109 18.396 -11.736 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.705 -10.559 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.245 -9.618 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.840 -11.371 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.988 -12.605 1.762 1.00 0.00 H new ATOM 1721 N TRP A 110 15.519 -10.164 -0.649 1.00 0.00 N ATOM 1722 CA TRP A 110 14.161 -10.349 -1.151 1.00 0.00 C ATOM 1723 C TRP A 110 14.148 -10.415 -2.670 1.00 0.00 C ATOM 1724 O TRP A 110 13.727 -11.413 -3.255 1.00 0.00 O ATOM 1725 CB TRP A 110 13.222 -9.228 -0.679 1.00 0.00 C ATOM 1726 CG TRP A 110 13.876 -7.899 -0.424 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.394 -7.464 0.759 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.055 -6.823 -1.359 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.880 -6.188 0.622 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.686 -5.773 -0.668 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.748 -6.644 -2.712 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.010 -4.564 -1.281 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.072 -5.446 -3.319 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.697 -4.420 -2.603 1.00 0.00 C ATOM 0 H TRP A 110 15.751 -9.204 -0.393 1.00 0.00 H new ATOM 0 HA TRP A 110 13.800 -11.294 -0.746 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.442 -9.092 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.730 -9.553 0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.418 -8.040 1.672 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.316 -5.638 1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.265 -7.430 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.491 -3.769 -0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.839 -5.299 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 110 14.937 -3.495 -3.106 1.00 0.00 H new ATOM 1745 N ALA A 111 14.601 -9.339 -3.302 1.00 0.00 N ATOM 1746 CA ALA A 111 14.635 -9.251 -4.762 1.00 0.00 C ATOM 1747 C ALA A 111 13.333 -9.756 -5.388 1.00 0.00 C ATOM 1748 O ALA A 111 13.308 -10.129 -6.560 1.00 0.00 O ATOM 1749 CB ALA A 111 15.813 -10.046 -5.297 1.00 0.00 C ATOM 0 H ALA A 111 14.953 -8.509 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 111 14.748 -8.201 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.834 -9.978 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.740 -9.642 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.712 -11.090 -5.001 1.00 0.00 H new ATOM 1755 N ASP A 112 12.266 -9.767 -4.582 1.00 0.00 N ATOM 1756 CA ASP A 112 10.935 -10.231 -4.987 1.00 0.00 C ATOM 1757 C ASP A 112 10.286 -10.942 -3.815 1.00 0.00 C ATOM 1758 O ASP A 112 9.073 -10.885 -3.626 1.00 0.00 O ATOM 1759 CB ASP A 112 10.980 -11.177 -6.194 1.00 0.00 C ATOM 1760 CG ASP A 112 11.970 -12.315 -6.017 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.930 -12.984 -4.964 1.00 0.00 O ATOM 1762 OD2 ASP A 112 12.787 -12.538 -6.936 1.00 0.00 O ATOM 0 H ASP A 112 12.304 -9.448 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 112 10.356 -9.357 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 112 9.986 -11.590 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.244 -10.608 -7.085 1.00 0.00 H new ATOM 1767 N VAL A 113 11.120 -11.604 -3.020 1.00 0.00 N ATOM 1768 CA VAL A 113 10.663 -12.323 -1.852 1.00 0.00 C ATOM 1769 C VAL A 113 9.985 -13.630 -2.250 1.00 0.00 C ATOM 1770 O VAL A 113 10.446 -14.712 -1.890 1.00 0.00 O ATOM 1771 CB VAL A 113 9.698 -11.467 -1.008 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.478 -12.099 0.348 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.219 -10.045 -0.850 1.00 0.00 C ATOM 0 H VAL A 113 12.127 -11.653 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 113 11.540 -12.551 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 113 8.744 -11.421 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.794 -11.482 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.050 -13.093 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.431 -12.178 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.518 -9.465 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.189 -10.066 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.324 -9.585 -1.832 1.00 0.00 H new ATOM 1920 N LYS A 123 4.217 -3.425 11.181 1.00 0.00 N ATOM 1921 CA LYS A 123 3.453 -2.381 11.856 1.00 0.00 C ATOM 1922 C LYS A 123 3.760 -1.014 11.253 1.00 0.00 C ATOM 1923 O LYS A 123 2.956 -0.088 11.344 1.00 0.00 O ATOM 1924 CB LYS A 123 3.769 -2.375 13.354 1.00 0.00 C ATOM 1925 CG LYS A 123 2.766 -3.150 14.191 1.00 0.00 C ATOM 1926 CD LYS A 123 3.164 -4.611 14.325 1.00 0.00 C ATOM 1927 CE LYS A 123 2.550 -5.243 15.564 1.00 0.00 C ATOM 1928 NZ LYS A 123 2.987 -6.655 15.740 1.00 0.00 N ATOM 0 HA LYS A 123 2.392 -2.591 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.762 -2.797 13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.803 -1.344 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.691 -2.700 15.181 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.779 -3.081 13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.844 -5.159 13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.250 -4.691 14.375 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.830 -4.664 16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 123 1.463 -5.206 15.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 2.547 -7.051 16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.698 -7.214 14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.022 -6.689 15.836 1.00 0.00 H new ATOM 1942 N GLN A 124 4.933 -0.896 10.634 1.00 0.00 N ATOM 1943 CA GLN A 124 5.353 0.351 10.008 1.00 0.00 C ATOM 1944 C GLN A 124 4.271 0.897 9.085 1.00 0.00 C ATOM 1945 O GLN A 124 3.622 1.896 9.393 1.00 0.00 O ATOM 1946 CB GLN A 124 6.638 0.125 9.213 1.00 0.00 C ATOM 1947 CG GLN A 124 7.744 1.110 9.551 1.00 0.00 C ATOM 1948 CD GLN A 124 8.353 0.857 10.916 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.515 -0.290 11.334 1.00 0.00 O ATOM 1950 NE2 GLN A 124 8.694 1.931 11.620 1.00 0.00 N ATOM 0 H GLN A 124 5.611 -1.654 10.554 1.00 0.00 H new ATOM 0 HA GLN A 124 5.531 1.082 10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.996 -0.888 9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.414 0.195 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.524 1.049 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.345 2.124 9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.542 2.863 11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.108 1.823 12.546 1.00 0.00 H new ATOM 1959 N LEU A 125 4.091 0.236 7.947 1.00 0.00 N ATOM 1960 CA LEU A 125 3.097 0.659 6.973 1.00 0.00 C ATOM 1961 C LEU A 125 1.692 0.586 7.548 1.00 0.00 C ATOM 1962 O LEU A 125 0.839 1.405 7.213 1.00 0.00 O ATOM 1963 CB LEU A 125 3.192 -0.195 5.704 1.00 0.00 C ATOM 1964 CG LEU A 125 2.648 -1.625 5.818 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.127 -1.634 5.744 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.238 -2.503 4.724 1.00 0.00 C ATOM 0 H LEU A 125 4.620 -0.593 7.678 1.00 0.00 H new ATOM 0 HA LEU A 125 3.305 1.698 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.655 0.315 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.238 -0.248 5.402 1.00 0.00 H new ATOM 0 HG LEU A 125 2.943 -2.027 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.765 -2.659 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.719 -1.038 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.807 -1.212 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.843 -3.515 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.971 -2.097 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.323 -2.527 4.822 1.00 0.00 H new ATOM 1978 N ASP A 126 1.445 -0.399 8.407 1.00 0.00 N ATOM 1979 CA ASP A 126 0.119 -0.557 9.001 1.00 0.00 C ATOM 1980 C ASP A 126 -0.274 0.682 9.801 1.00 0.00 C ATOM 1981 O ASP A 126 -1.281 1.334 9.512 1.00 0.00 O ATOM 1982 CB ASP A 126 0.073 -1.788 9.906 1.00 0.00 C ATOM 1983 CG ASP A 126 0.443 -3.065 9.176 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -0.210 -3.379 8.160 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.385 -3.752 9.623 1.00 0.00 O ATOM 0 H ASP A 126 2.133 -1.091 8.705 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.593 -0.689 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.754 -1.643 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.929 -1.890 10.323 1.00 0.00 H new ATOM 1990 N THR A 127 0.529 1.007 10.803 1.00 0.00 N ATOM 1991 CA THR A 127 0.271 2.168 11.641 1.00 0.00 C ATOM 1992 C THR A 127 0.296 3.446 10.813 1.00 0.00 C ATOM 1993 O THR A 127 -0.371 4.426 11.142 1.00 0.00 O ATOM 1994 CB THR A 127 1.302 2.253 12.767 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.411 1.013 13.443 1.00 0.00 O ATOM 1996 CG2 THR A 127 0.975 3.311 13.799 1.00 0.00 C ATOM 0 H THR A 127 1.366 0.482 11.056 1.00 0.00 H new ATOM 0 HA THR A 127 -0.721 2.057 12.079 1.00 0.00 H new ATOM 0 HB THR A 127 2.240 2.521 12.280 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.977 0.405 12.923 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.746 3.318 14.569 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.933 4.288 13.318 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.010 3.089 14.254 1.00 0.00 H new ATOM 2004 N TYR A 128 1.069 3.433 9.733 1.00 0.00 N ATOM 2005 CA TYR A 128 1.176 4.595 8.868 1.00 0.00 C ATOM 2006 C TYR A 128 -0.108 4.794 8.076 1.00 0.00 C ATOM 2007 O TYR A 128 -0.645 5.897 8.024 1.00 0.00 O ATOM 2008 CB TYR A 128 2.367 4.448 7.919 1.00 0.00 C ATOM 2009 CG TYR A 128 3.695 4.826 8.540 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.805 5.927 9.383 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.839 4.082 8.282 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.017 6.274 9.948 1.00 0.00 C ATOM 2013 CE2 TYR A 128 6.055 4.422 8.845 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.138 5.519 9.678 1.00 0.00 C ATOM 2015 OH TYR A 128 7.345 5.861 10.240 1.00 0.00 O ATOM 0 H TYR A 128 1.628 2.632 9.439 1.00 0.00 H new ATOM 0 HA TYR A 128 1.336 5.473 9.494 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.419 3.415 7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.198 5.070 7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.929 6.520 9.599 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.778 3.223 7.630 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.086 7.133 10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.935 3.832 8.634 1.00 0.00 H new ATOM 0 HH TYR A 128 7.971 5.112 10.151 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.600 3.723 7.463 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.820 3.791 6.678 1.00 0.00 C ATOM 2027 C ILE A 129 -3.022 4.157 7.544 1.00 0.00 C ATOM 2028 O ILE A 129 -4.012 4.692 7.045 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.107 2.462 5.955 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.388 2.590 5.125 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.218 1.322 6.954 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.602 2.037 5.820 1.00 0.00 C ATOM 0 H ILE A 129 -0.170 2.799 7.497 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.664 4.572 5.934 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.278 2.237 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.558 3.641 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.252 2.070 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.421 0.392 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.282 1.229 7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.031 1.527 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.475 2.159 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.450 0.978 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.761 2.573 6.756 1.00 0.00 H new ATOM 2044 N SER A 130 -2.939 3.864 8.838 1.00 0.00 N ATOM 2045 CA SER A 130 -4.033 4.166 9.749 1.00 0.00 C ATOM 2046 C SER A 130 -4.059 5.650 10.101 1.00 0.00 C ATOM 2047 O SER A 130 -5.117 6.281 10.100 1.00 0.00 O ATOM 2048 CB SER A 130 -3.907 3.324 11.020 1.00 0.00 C ATOM 2049 OG SER A 130 -4.682 3.868 12.075 1.00 0.00 O ATOM 0 H SER A 130 -2.131 3.421 9.275 1.00 0.00 H new ATOM 0 HA SER A 130 -4.970 3.920 9.249 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.231 2.303 10.817 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.861 3.272 11.323 1.00 0.00 H new ATOM 0 HG SER A 130 -4.982 3.146 12.666 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.891 6.196 10.408 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.774 7.604 10.774 1.00 0.00 C ATOM 2057 C LYS A 131 -2.678 8.502 9.543 1.00 0.00 C ATOM 2058 O LYS A 131 -3.108 9.654 9.571 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.556 7.810 11.671 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.760 7.294 13.085 1.00 0.00 C ATOM 2061 CD LYS A 131 -1.651 5.781 13.151 1.00 0.00 C ATOM 2062 CE LYS A 131 -2.055 5.250 14.518 1.00 0.00 C ATOM 2063 NZ LYS A 131 -2.949 4.064 14.411 1.00 0.00 N ATOM 0 H LYS A 131 -2.008 5.686 10.411 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.677 7.883 11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.697 7.306 11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.317 8.873 11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -1.018 7.742 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.740 7.605 13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -2.286 5.336 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.627 5.479 12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.162 4.981 15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.561 6.037 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -3.576 4.026 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -3.523 4.139 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -2.374 3.198 14.371 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.111 7.972 8.463 1.00 0.00 N ATOM 2078 CA TYR A 132 -1.961 8.734 7.227 1.00 0.00 C ATOM 2079 C TYR A 132 -3.315 9.106 6.627 1.00 0.00 C ATOM 2080 O TYR A 132 -3.385 9.930 5.717 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.113 7.971 6.212 1.00 0.00 C ATOM 2082 CG TYR A 132 0.367 8.270 6.337 1.00 0.00 C ATOM 2083 CD1 TYR A 132 1.031 8.100 7.547 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.102 8.731 5.248 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.380 8.376 7.667 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.451 9.008 5.363 1.00 0.00 C ATOM 2087 CZ TYR A 132 3.085 8.829 6.573 1.00 0.00 C ATOM 2088 OH TYR A 132 4.427 9.105 6.690 1.00 0.00 O ATOM 0 H TYR A 132 -1.748 7.020 8.418 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.444 9.660 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.275 6.901 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.446 8.223 5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.483 7.746 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.610 8.875 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.880 8.237 8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.006 9.363 4.508 1.00 0.00 H new ATOM 0 HH TYR A 132 4.822 8.525 7.374 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.386 8.492 7.137 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.745 8.758 6.654 1.00 0.00 C ATOM 2100 C GLN A 133 -5.955 10.230 6.286 1.00 0.00 C ATOM 2101 O GLN A 133 -6.732 10.546 5.386 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.767 8.341 7.714 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.430 7.003 7.429 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.444 6.618 8.488 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -8.179 5.765 9.336 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -9.613 7.245 8.444 1.00 0.00 N ATOM 0 H GLN A 133 -4.338 7.804 7.888 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.886 8.170 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.272 8.292 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.536 9.110 7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.923 7.045 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.665 6.229 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.789 7.945 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.335 7.027 9.131 1.00 0.00 H new