USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1032 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 14 SER OG : rot -45:sc= 0.657 USER MOD Set 1.2: A 17 GLN : amide:sc= 1.58 K(o=2.2,f=-5.8!) USER MOD Set 2.1: A 8 SER OG : rot -148:sc= 0.698 USER MOD Set 2.2: A 51 TYR OH : rot 56:sc= 0.658 USER MOD Set 2.3: A 53 HIS : no HD1:sc= -1.84 X(o=-0.49,f=-0.44!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.04) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 18 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0.67 (180deg=0.576) USER MOD Single : A 29 THR OG1 : rot 21:sc= 1.04 USER MOD Single : A 33 ASN : amide:sc= -0.0834 K(o=-0.083,f=-2.3!) USER MOD Single : A 34 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.019) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0562) USER MOD Single : A 39 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0043) USER MOD Single : A 40 MET CE :methyl -167:sc= -2.26 (180deg=-2.57) USER MOD Single : A 43 MET CE :methyl 160:sc= 0 (180deg=-0.639) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.392 USER MOD Single : A 54 SER OG : rot 180:sc= -0.014 USER MOD Single : A 55 ASN : amide:sc= 0.807 K(o=0.81,f=-3.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 174:sc= -0.741 USER MOD Single : A 83 CYS SG : rot -21:sc= -2.23! USER MOD Single : A 87 LYS NZ :NH3+ -142:sc= -0.167 (180deg=-0.472) USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= -1.47 (180deg=-2.55!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -140:sc= -0.874 (180deg=-2.19!) USER MOD Single : A 113 MET CE :methyl -138:sc= -1.53 (180deg=-2.99!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 121 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD Single : A 124 THR OG1 : rot -79:sc= 0.951 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot -26:sc= -3.78! USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -161:sc= -0.106 (180deg=-0.966) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 117.769 4.606 -10.833 1.00 0.00 N ATOM 20 CA ALA A 2 116.984 5.430 -9.926 1.00 0.00 C ATOM 21 C ALA A 2 117.155 4.956 -8.488 1.00 0.00 C ATOM 22 O ALA A 2 117.773 3.916 -8.239 1.00 0.00 O ATOM 23 CB ALA A 2 115.515 5.413 -10.325 1.00 0.00 C ATOM 0 HA ALA A 2 117.346 6.456 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.944 6.034 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.409 5.802 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.140 4.390 -10.288 1.00 0.00 H new ATOM 29 N TYR A 3 116.619 5.721 -7.547 1.00 0.00 N ATOM 30 CA TYR A 3 116.723 5.385 -6.136 1.00 0.00 C ATOM 31 C TYR A 3 115.351 5.419 -5.477 1.00 0.00 C ATOM 32 O TYR A 3 114.565 6.345 -5.696 1.00 0.00 O ATOM 33 CB TYR A 3 117.686 6.343 -5.435 1.00 0.00 C ATOM 34 CG TYR A 3 119.075 6.310 -6.027 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.958 5.289 -5.711 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.496 7.289 -6.919 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.222 5.242 -6.261 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.760 7.251 -7.473 1.00 0.00 C ATOM 39 CZ TYR A 3 121.619 6.225 -7.142 1.00 0.00 C ATOM 40 OH TYR A 3 122.875 6.176 -7.700 1.00 0.00 O ATOM 0 H TYR A 3 116.106 6.582 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 3 117.117 4.373 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.293 7.358 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.740 6.087 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.651 4.516 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.824 8.092 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.897 4.439 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.074 8.021 -8.162 1.00 0.00 H new ATOM 0 HH TYR A 3 122.997 6.942 -8.299 1.00 0.00 H new ATOM 50 N TRP A 4 115.064 4.403 -4.679 1.00 0.00 N ATOM 51 CA TRP A 4 113.745 4.250 -4.083 1.00 0.00 C ATOM 52 C TRP A 4 113.854 3.933 -2.593 1.00 0.00 C ATOM 53 O TRP A 4 114.949 3.862 -2.036 1.00 0.00 O ATOM 54 CB TRP A 4 112.977 3.123 -4.785 1.00 0.00 C ATOM 55 CG TRP A 4 112.935 3.244 -6.280 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.770 2.633 -7.175 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.015 4.021 -7.057 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.423 2.981 -8.458 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.350 3.832 -8.413 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.939 4.855 -6.739 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.649 4.449 -9.445 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.245 5.467 -7.766 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.601 5.260 -9.104 1.00 0.00 C ATOM 0 H TRP A 4 115.728 3.670 -4.428 1.00 0.00 H new ATOM 0 HA TRP A 4 113.209 5.191 -4.205 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.434 2.169 -4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.956 3.103 -4.405 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.583 1.973 -6.911 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.889 2.658 -9.306 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.655 5.018 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.922 4.293 -10.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.414 6.116 -7.532 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.037 5.751 -9.883 1.00 0.00 H new ATOM 74 N LEU A 5 112.708 3.750 -1.959 1.00 0.00 N ATOM 75 CA LEU A 5 112.638 3.316 -0.574 1.00 0.00 C ATOM 76 C LEU A 5 111.503 2.311 -0.438 1.00 0.00 C ATOM 77 O LEU A 5 110.386 2.575 -0.882 1.00 0.00 O ATOM 78 CB LEU A 5 112.420 4.523 0.354 1.00 0.00 C ATOM 79 CG LEU A 5 112.479 4.240 1.862 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.886 5.497 2.613 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.134 3.748 2.379 1.00 0.00 C ATOM 0 H LEU A 5 111.797 3.899 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 5 113.576 2.843 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.171 5.277 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.448 4.959 0.125 1.00 0.00 H new ATOM 0 HG LEU A 5 113.221 3.459 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.925 5.286 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.868 5.823 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.157 6.285 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.204 3.555 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.374 4.508 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.860 2.828 1.862 1.00 0.00 H new ATOM 93 N VAL A 6 111.790 1.157 0.148 1.00 0.00 N ATOM 94 CA VAL A 6 110.784 0.114 0.294 1.00 0.00 C ATOM 95 C VAL A 6 110.542 -0.222 1.758 1.00 0.00 C ATOM 96 O VAL A 6 111.476 -0.302 2.558 1.00 0.00 O ATOM 97 CB VAL A 6 111.157 -1.177 -0.473 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.148 -0.934 -1.974 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.511 -1.710 -0.030 1.00 0.00 C ATOM 0 H VAL A 6 112.706 0.920 0.528 1.00 0.00 H new ATOM 0 HA VAL A 6 109.868 0.516 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 6 110.405 -1.930 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.413 -1.855 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.153 -0.616 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.871 -0.157 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.745 -2.617 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.278 -0.959 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.482 -1.936 1.036 1.00 0.00 H new ATOM 109 N LYS A 7 109.276 -0.397 2.100 1.00 0.00 N ATOM 110 CA LYS A 7 108.889 -0.788 3.444 1.00 0.00 C ATOM 111 C LYS A 7 108.711 -2.296 3.532 1.00 0.00 C ATOM 112 O LYS A 7 107.806 -2.862 2.923 1.00 0.00 O ATOM 113 CB LYS A 7 107.594 -0.090 3.858 1.00 0.00 C ATOM 114 CG LYS A 7 107.769 1.383 4.175 1.00 0.00 C ATOM 115 CD LYS A 7 106.470 2.000 4.664 1.00 0.00 C ATOM 116 CE LYS A 7 106.679 3.419 5.165 1.00 0.00 C ATOM 117 NZ LYS A 7 107.212 4.314 4.106 1.00 0.00 N ATOM 0 H LYS A 7 108.493 -0.273 1.458 1.00 0.00 H new ATOM 0 HA LYS A 7 109.685 -0.485 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.863 -0.196 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.183 -0.594 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.541 1.504 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.112 1.910 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.740 2.003 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.055 1.388 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.733 3.816 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.368 3.407 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.996 5.303 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.242 4.192 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.771 4.075 3.195 1.00 0.00 H new ATOM 131 N SER A 8 109.586 -2.937 4.284 1.00 0.00 N ATOM 132 CA SER A 8 109.518 -4.371 4.483 1.00 0.00 C ATOM 133 C SER A 8 109.238 -4.680 5.948 1.00 0.00 C ATOM 134 O SER A 8 109.987 -4.259 6.833 1.00 0.00 O ATOM 135 CB SER A 8 110.832 -5.023 4.042 1.00 0.00 C ATOM 136 OG SER A 8 110.805 -6.427 4.237 1.00 0.00 O ATOM 0 H SER A 8 110.358 -2.482 4.771 1.00 0.00 H new ATOM 0 HA SER A 8 108.707 -4.777 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 8 111.013 -4.804 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.660 -4.592 4.604 1.00 0.00 H new ATOM 0 HG SER A 8 111.708 -6.746 4.446 1.00 0.00 H new ATOM 142 N GLU A 9 108.149 -5.385 6.205 1.00 0.00 N ATOM 143 CA GLU A 9 107.794 -5.769 7.562 1.00 0.00 C ATOM 144 C GLU A 9 108.535 -7.041 7.963 1.00 0.00 C ATOM 145 O GLU A 9 108.381 -8.085 7.327 1.00 0.00 O ATOM 146 CB GLU A 9 106.280 -5.965 7.692 1.00 0.00 C ATOM 147 CG GLU A 9 105.490 -4.677 7.528 1.00 0.00 C ATOM 148 CD GLU A 9 103.998 -4.873 7.712 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.582 -5.333 8.796 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.234 -4.556 6.772 1.00 0.00 O ATOM 0 H GLU A 9 107.494 -5.704 5.491 1.00 0.00 H new ATOM 0 HA GLU A 9 108.092 -4.966 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.948 -6.684 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.059 -6.397 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.847 -3.943 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.678 -4.265 6.536 1.00 0.00 H new ATOM 157 N PRO A 10 109.343 -6.965 9.038 1.00 0.00 N ATOM 158 CA PRO A 10 110.180 -8.085 9.494 1.00 0.00 C ATOM 159 C PRO A 10 109.352 -9.264 9.994 1.00 0.00 C ATOM 160 O PRO A 10 109.869 -10.367 10.186 1.00 0.00 O ATOM 161 CB PRO A 10 110.999 -7.482 10.638 1.00 0.00 C ATOM 162 CG PRO A 10 110.201 -6.316 11.110 1.00 0.00 C ATOM 163 CD PRO A 10 109.498 -5.779 9.896 1.00 0.00 C ATOM 0 HA PRO A 10 110.790 -8.489 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.152 -8.206 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 10 111.986 -7.172 10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.485 -6.617 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 10 110.844 -5.558 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.534 -5.339 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.083 -5.001 9.405 1.00 0.00 H new ATOM 171 N SER A 11 108.065 -9.021 10.196 1.00 0.00 N ATOM 172 CA SER A 11 107.134 -10.058 10.604 1.00 0.00 C ATOM 173 C SER A 11 106.913 -11.052 9.464 1.00 0.00 C ATOM 174 O SER A 11 106.504 -12.194 9.682 1.00 0.00 O ATOM 175 CB SER A 11 105.814 -9.411 11.024 1.00 0.00 C ATOM 176 OG SER A 11 105.460 -8.373 10.123 1.00 0.00 O ATOM 0 H SER A 11 107.639 -8.101 10.081 1.00 0.00 H new ATOM 0 HA SER A 11 107.547 -10.606 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.025 -10.163 11.049 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.904 -9.009 12.033 1.00 0.00 H new ATOM 0 HG SER A 11 104.612 -7.970 10.405 1.00 0.00 H new ATOM 182 N VAL A 12 107.190 -10.601 8.248 1.00 0.00 N ATOM 183 CA VAL A 12 107.086 -11.448 7.072 1.00 0.00 C ATOM 184 C VAL A 12 108.469 -11.693 6.475 1.00 0.00 C ATOM 185 O VAL A 12 108.915 -12.834 6.366 1.00 0.00 O ATOM 186 CB VAL A 12 106.170 -10.819 5.998 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.032 -11.741 4.794 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.803 -10.487 6.581 1.00 0.00 C ATOM 0 H VAL A 12 107.490 -9.646 8.052 1.00 0.00 H new ATOM 0 HA VAL A 12 106.647 -12.394 7.388 1.00 0.00 H new ATOM 0 HB VAL A 12 106.632 -9.891 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.383 -11.276 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.015 -11.918 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.600 -12.690 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.175 -10.045 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.335 -11.399 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.920 -9.779 7.402 1.00 0.00 H new ATOM 198 N TRP A 13 109.156 -10.613 6.128 1.00 0.00 N ATOM 199 CA TRP A 13 110.432 -10.711 5.439 1.00 0.00 C ATOM 200 C TRP A 13 111.507 -9.929 6.196 1.00 0.00 C ATOM 201 O TRP A 13 111.311 -8.766 6.547 1.00 0.00 O ATOM 202 CB TRP A 13 110.276 -10.183 4.010 1.00 0.00 C ATOM 203 CG TRP A 13 111.385 -10.578 3.084 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.173 -9.740 2.351 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.824 -11.908 2.785 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.070 -10.468 1.609 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.879 -11.800 1.862 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.429 -13.181 3.209 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.543 -12.913 1.355 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.088 -14.285 2.704 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.136 -14.144 1.787 1.00 0.00 C ATOM 0 H TRP A 13 108.849 -9.658 6.314 1.00 0.00 H new ATOM 0 HA TRP A 13 110.745 -11.754 5.399 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.332 -10.544 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.214 -9.095 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.102 -8.662 2.354 1.00 0.00 H new ATOM 0 HE1 TRP A 13 113.766 -10.079 0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.623 -13.299 3.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.351 -12.808 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.790 -15.273 3.022 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.633 -15.027 1.413 1.00 0.00 H new ATOM 222 N SER A 14 112.633 -10.575 6.460 1.00 0.00 N ATOM 223 CA SER A 14 113.707 -9.944 7.214 1.00 0.00 C ATOM 224 C SER A 14 114.867 -9.560 6.297 1.00 0.00 C ATOM 225 O SER A 14 114.862 -9.867 5.103 1.00 0.00 O ATOM 226 CB SER A 14 114.192 -10.875 8.331 1.00 0.00 C ATOM 227 OG SER A 14 114.659 -12.109 7.809 1.00 0.00 O ATOM 0 H SER A 14 112.827 -11.532 6.165 1.00 0.00 H new ATOM 0 HA SER A 14 113.316 -9.031 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.991 -10.389 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.378 -11.059 9.032 1.00 0.00 H new ATOM 0 HG SER A 14 114.031 -12.436 7.132 1.00 0.00 H new ATOM 233 N TRP A 15 115.860 -8.884 6.864 1.00 0.00 N ATOM 234 CA TRP A 15 117.022 -8.440 6.110 1.00 0.00 C ATOM 235 C TRP A 15 117.971 -9.608 5.875 1.00 0.00 C ATOM 236 O TRP A 15 118.572 -9.728 4.809 1.00 0.00 O ATOM 237 CB TRP A 15 117.724 -7.304 6.866 1.00 0.00 C ATOM 238 CG TRP A 15 119.077 -6.945 6.330 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.276 -7.181 6.936 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.375 -6.291 5.090 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.301 -6.716 6.153 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.775 -6.166 5.012 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.598 -5.802 4.036 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.411 -5.571 3.926 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.230 -5.211 2.959 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.624 -5.101 2.911 1.00 0.00 C ATOM 0 H TRP A 15 115.881 -8.631 7.852 1.00 0.00 H new ATOM 0 HA TRP A 15 116.702 -8.064 5.138 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.089 -6.419 6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.826 -7.590 7.913 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.400 -7.664 7.894 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.294 -6.770 6.382 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.522 -5.885 4.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.487 -5.484 3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.638 -4.828 2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 15 121.088 -4.635 2.054 1.00 0.00 H new ATOM 257 N ASP A 16 118.072 -10.480 6.874 1.00 0.00 N ATOM 258 CA ASP A 16 118.928 -11.662 6.789 1.00 0.00 C ATOM 259 C ASP A 16 118.556 -12.515 5.583 1.00 0.00 C ATOM 260 O ASP A 16 119.419 -12.961 4.824 1.00 0.00 O ATOM 261 CB ASP A 16 118.802 -12.499 8.062 1.00 0.00 C ATOM 262 CG ASP A 16 119.646 -13.754 8.013 1.00 0.00 C ATOM 263 OD1 ASP A 16 120.844 -13.681 8.352 1.00 0.00 O ATOM 264 OD2 ASP A 16 119.118 -14.821 7.636 1.00 0.00 O ATOM 0 H ASP A 16 117.569 -10.390 7.757 1.00 0.00 H new ATOM 0 HA ASP A 16 119.958 -11.324 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.100 -11.897 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 16 117.758 -12.772 8.212 1.00 0.00 H new ATOM 269 N GLN A 17 117.259 -12.714 5.403 1.00 0.00 N ATOM 270 CA GLN A 17 116.742 -13.506 4.298 1.00 0.00 C ATOM 271 C GLN A 17 117.071 -12.869 2.950 1.00 0.00 C ATOM 272 O GLN A 17 117.254 -13.567 1.954 1.00 0.00 O ATOM 273 CB GLN A 17 115.235 -13.681 4.459 1.00 0.00 C ATOM 274 CG GLN A 17 114.863 -14.700 5.523 1.00 0.00 C ATOM 275 CD GLN A 17 113.450 -14.523 6.041 1.00 0.00 C ATOM 276 OE1 GLN A 17 112.933 -13.408 6.094 1.00 0.00 O ATOM 277 NE2 GLN A 17 112.819 -15.619 6.430 1.00 0.00 N ATOM 0 H GLN A 17 116.538 -12.333 6.016 1.00 0.00 H new ATOM 0 HA GLN A 17 117.223 -14.484 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.789 -12.720 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.807 -13.988 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.970 -15.703 5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.562 -14.620 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.285 -16.524 6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.867 -15.558 6.791 1.00 0.00 H new ATOM 286 N GLN A 18 117.158 -11.548 2.924 1.00 0.00 N ATOM 287 CA GLN A 18 117.539 -10.837 1.711 1.00 0.00 C ATOM 288 C GLN A 18 119.021 -11.020 1.415 1.00 0.00 C ATOM 289 O GLN A 18 119.408 -11.169 0.260 1.00 0.00 O ATOM 290 CB GLN A 18 117.212 -9.347 1.830 1.00 0.00 C ATOM 291 CG GLN A 18 115.893 -8.954 1.191 1.00 0.00 C ATOM 292 CD GLN A 18 115.944 -8.972 -0.326 1.00 0.00 C ATOM 293 OE1 GLN A 18 116.283 -7.975 -0.954 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.605 -10.105 -0.926 1.00 0.00 N ATOM 0 H GLN A 18 116.971 -10.947 3.726 1.00 0.00 H new ATOM 0 HA GLN A 18 116.965 -11.258 0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 18 117.189 -9.073 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.014 -8.771 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.113 -9.635 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.615 -7.956 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.328 -10.914 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.621 -10.168 -1.944 1.00 0.00 H new ATOM 303 N VAL A 19 119.842 -11.007 2.462 1.00 0.00 N ATOM 304 CA VAL A 19 121.282 -11.209 2.312 1.00 0.00 C ATOM 305 C VAL A 19 121.563 -12.585 1.720 1.00 0.00 C ATOM 306 O VAL A 19 122.366 -12.725 0.798 1.00 0.00 O ATOM 307 CB VAL A 19 122.024 -11.071 3.661 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.519 -11.291 3.485 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.762 -9.708 4.283 1.00 0.00 C ATOM 0 H VAL A 19 119.536 -10.859 3.424 1.00 0.00 H new ATOM 0 HA VAL A 19 121.650 -10.434 1.639 1.00 0.00 H new ATOM 0 HB VAL A 19 121.641 -11.839 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.018 -11.188 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.696 -12.291 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.916 -10.551 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.294 -9.633 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.111 -8.927 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.693 -9.586 4.456 1.00 0.00 H new ATOM 319 N ALA A 20 120.877 -13.593 2.249 1.00 0.00 N ATOM 320 CA ALA A 20 120.994 -14.954 1.738 1.00 0.00 C ATOM 321 C ALA A 20 120.584 -15.018 0.270 1.00 0.00 C ATOM 322 O ALA A 20 121.160 -15.771 -0.518 1.00 0.00 O ATOM 323 CB ALA A 20 120.146 -15.901 2.570 1.00 0.00 C ATOM 0 H ALA A 20 120.233 -13.492 3.033 1.00 0.00 H new ATOM 0 HA ALA A 20 122.037 -15.262 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.242 -16.914 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.485 -15.878 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.102 -15.591 2.523 1.00 0.00 H new ATOM 329 N LYS A 21 119.602 -14.204 -0.101 1.00 0.00 N ATOM 330 CA LYS A 21 119.127 -14.154 -1.477 1.00 0.00 C ATOM 331 C LYS A 21 119.859 -13.080 -2.275 1.00 0.00 C ATOM 332 O LYS A 21 119.394 -12.673 -3.335 1.00 0.00 O ATOM 333 CB LYS A 21 117.618 -13.889 -1.527 1.00 0.00 C ATOM 334 CG LYS A 21 116.777 -15.042 -1.008 1.00 0.00 C ATOM 335 CD LYS A 21 115.634 -15.362 -1.958 1.00 0.00 C ATOM 336 CE LYS A 21 114.895 -16.627 -1.550 1.00 0.00 C ATOM 337 NZ LYS A 21 114.105 -16.447 -0.303 1.00 0.00 N ATOM 0 H LYS A 21 119.119 -13.569 0.534 1.00 0.00 H new ATOM 0 HA LYS A 21 119.333 -15.126 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.395 -12.997 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.330 -13.675 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.404 -15.924 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 21 116.377 -14.790 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 21 114.936 -14.525 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.024 -15.480 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.229 -16.932 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.614 -17.434 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.478 -17.266 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 114.751 -16.367 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.533 -15.582 -0.376 1.00 0.00 H new ATOM 351 N GLY A 22 121.005 -12.638 -1.772 1.00 0.00 N ATOM 352 CA GLY A 22 121.774 -11.610 -2.454 1.00 0.00 C ATOM 353 C GLY A 22 122.183 -12.022 -3.856 1.00 0.00 C ATOM 354 O GLY A 22 122.279 -11.188 -4.756 1.00 0.00 O ATOM 0 H GLY A 22 121.418 -12.973 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.185 -10.695 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.666 -11.382 -1.871 1.00 0.00 H new ATOM 358 N ALA A 23 122.410 -13.316 -4.048 1.00 0.00 N ATOM 359 CA ALA A 23 122.830 -13.828 -5.344 1.00 0.00 C ATOM 360 C ALA A 23 121.643 -14.357 -6.148 1.00 0.00 C ATOM 361 O ALA A 23 121.807 -14.834 -7.270 1.00 0.00 O ATOM 362 CB ALA A 23 123.875 -14.920 -5.164 1.00 0.00 C ATOM 0 H ALA A 23 122.310 -14.027 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 23 123.269 -13.002 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.181 -15.295 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.742 -14.512 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.451 -15.736 -4.578 1.00 0.00 H new ATOM 368 N ALA A 24 120.446 -14.255 -5.588 1.00 0.00 N ATOM 369 CA ALA A 24 119.259 -14.792 -6.240 1.00 0.00 C ATOM 370 C ALA A 24 118.221 -13.706 -6.491 1.00 0.00 C ATOM 371 O ALA A 24 117.885 -13.407 -7.637 1.00 0.00 O ATOM 372 CB ALA A 24 118.660 -15.914 -5.403 1.00 0.00 C ATOM 0 H ALA A 24 120.271 -13.808 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 24 119.561 -15.193 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 24 117.774 -16.306 -5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.393 -16.712 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.383 -15.528 -4.422 1.00 0.00 H new ATOM 378 N GLY A 25 117.740 -13.111 -5.412 1.00 0.00 N ATOM 379 CA GLY A 25 116.689 -12.123 -5.510 1.00 0.00 C ATOM 380 C GLY A 25 115.339 -12.708 -5.152 1.00 0.00 C ATOM 381 O GLY A 25 115.156 -13.928 -5.193 1.00 0.00 O ATOM 0 H GLY A 25 118.062 -13.297 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 116.912 -11.287 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.656 -11.725 -6.524 1.00 0.00 H new ATOM 385 N GLU A 26 114.406 -11.854 -4.771 1.00 0.00 N ATOM 386 CA GLU A 26 113.050 -12.288 -4.484 1.00 0.00 C ATOM 387 C GLU A 26 112.062 -11.219 -4.936 1.00 0.00 C ATOM 388 O GLU A 26 112.337 -10.022 -4.825 1.00 0.00 O ATOM 389 CB GLU A 26 112.874 -12.604 -2.993 1.00 0.00 C ATOM 390 CG GLU A 26 111.508 -13.180 -2.662 1.00 0.00 C ATOM 391 CD GLU A 26 111.443 -13.833 -1.299 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.130 -14.856 -1.089 1.00 0.00 O ATOM 393 OE2 GLU A 26 110.693 -13.334 -0.437 1.00 0.00 O ATOM 0 H GLU A 26 114.563 -10.853 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 26 112.853 -13.207 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.644 -13.311 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.027 -11.693 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 26 110.765 -12.384 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.238 -13.914 -3.421 1.00 0.00 H new ATOM 400 N ALA A 27 110.921 -11.655 -5.449 1.00 0.00 N ATOM 401 CA ALA A 27 109.957 -10.747 -6.046 1.00 0.00 C ATOM 402 C ALA A 27 109.067 -10.103 -4.997 1.00 0.00 C ATOM 403 O ALA A 27 108.533 -10.776 -4.112 1.00 0.00 O ATOM 404 CB ALA A 27 109.109 -11.481 -7.074 1.00 0.00 C ATOM 0 H ALA A 27 110.641 -12.636 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 27 110.515 -9.952 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.391 -10.789 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 27 109.753 -11.882 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.575 -12.298 -6.589 1.00 0.00 H new ATOM 410 N TRP A 28 108.917 -8.795 -5.106 1.00 0.00 N ATOM 411 CA TRP A 28 108.033 -8.039 -4.242 1.00 0.00 C ATOM 412 C TRP A 28 106.607 -8.163 -4.770 1.00 0.00 C ATOM 413 O TRP A 28 106.061 -7.232 -5.360 1.00 0.00 O ATOM 414 CB TRP A 28 108.480 -6.573 -4.209 1.00 0.00 C ATOM 415 CG TRP A 28 108.259 -5.890 -2.893 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.545 -4.747 -2.671 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.772 -6.297 -1.620 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.589 -4.416 -1.338 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.333 -5.353 -0.672 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.562 -7.368 -1.186 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.655 -5.448 0.678 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.881 -7.460 0.156 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.429 -6.504 1.073 1.00 0.00 C ATOM 0 H TRP A 28 109.406 -8.228 -5.798 1.00 0.00 H new ATOM 0 HA TRP A 28 108.069 -8.429 -3.225 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.540 -6.523 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 28 107.945 -6.025 -4.984 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.023 -4.186 -3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.140 -3.604 -0.914 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.916 -8.109 -1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.306 -4.714 1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.489 -8.283 0.502 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.697 -6.602 2.115 1.00 0.00 H new ATOM 434 N THR A 29 106.036 -9.344 -4.583 1.00 0.00 N ATOM 435 CA THR A 29 104.747 -9.687 -5.164 1.00 0.00 C ATOM 436 C THR A 29 103.612 -9.457 -4.169 1.00 0.00 C ATOM 437 O THR A 29 103.815 -9.511 -2.954 1.00 0.00 O ATOM 438 CB THR A 29 104.747 -11.165 -5.637 1.00 0.00 C ATOM 439 OG1 THR A 29 103.479 -11.524 -6.200 1.00 0.00 O ATOM 440 CG2 THR A 29 105.079 -12.109 -4.490 1.00 0.00 C ATOM 0 H THR A 29 106.452 -10.090 -4.025 1.00 0.00 H new ATOM 0 HA THR A 29 104.583 -9.036 -6.023 1.00 0.00 H new ATOM 0 HB THR A 29 105.516 -11.259 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 29 103.005 -10.714 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.072 -13.137 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 29 106.067 -11.870 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 29 104.337 -11.997 -3.700 1.00 0.00 H new ATOM 448 N GLY A 30 102.422 -9.189 -4.694 1.00 0.00 N ATOM 449 CA GLY A 30 101.258 -9.012 -3.849 1.00 0.00 C ATOM 450 C GLY A 30 101.125 -7.600 -3.321 1.00 0.00 C ATOM 451 O GLY A 30 100.634 -7.387 -2.210 1.00 0.00 O ATOM 0 H GLY A 30 102.243 -9.091 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.362 -9.269 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.316 -9.705 -3.010 1.00 0.00 H new ATOM 455 N VAL A 31 101.560 -6.632 -4.112 1.00 0.00 N ATOM 456 CA VAL A 31 101.456 -5.233 -3.725 1.00 0.00 C ATOM 457 C VAL A 31 100.055 -4.692 -4.007 1.00 0.00 C ATOM 458 O VAL A 31 99.693 -4.403 -5.146 1.00 0.00 O ATOM 459 CB VAL A 31 102.524 -4.361 -4.425 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.889 -4.603 -3.804 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.574 -4.641 -5.923 1.00 0.00 C ATOM 0 H VAL A 31 101.988 -6.788 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 31 101.640 -5.181 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 31 102.247 -3.316 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.632 -3.983 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.858 -4.346 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.158 -5.653 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.335 -4.012 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 31 102.820 -5.690 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.603 -4.422 -6.367 1.00 0.00 H new ATOM 471 N ARG A 32 99.254 -4.579 -2.953 1.00 0.00 N ATOM 472 CA ARG A 32 97.879 -4.110 -3.090 1.00 0.00 C ATOM 473 C ARG A 32 97.839 -2.589 -3.187 1.00 0.00 C ATOM 474 O ARG A 32 96.865 -2.011 -3.670 1.00 0.00 O ATOM 475 CB ARG A 32 97.022 -4.580 -1.911 1.00 0.00 C ATOM 476 CG ARG A 32 97.179 -6.057 -1.585 1.00 0.00 C ATOM 477 CD ARG A 32 96.032 -6.559 -0.725 1.00 0.00 C ATOM 478 NE ARG A 32 94.828 -6.801 -1.521 1.00 0.00 N ATOM 479 CZ ARG A 32 93.608 -6.377 -1.196 1.00 0.00 C ATOM 480 NH1 ARG A 32 93.413 -5.630 -0.117 1.00 0.00 N ATOM 481 NH2 ARG A 32 92.581 -6.691 -1.969 1.00 0.00 N ATOM 0 H ARG A 32 99.531 -4.805 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 32 97.470 -4.533 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.282 -3.994 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 32 95.974 -4.376 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.222 -6.633 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 98.123 -6.218 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 32 96.329 -7.480 -0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 32 95.813 -5.828 0.054 1.00 0.00 H new ATOM 0 HE ARG A 32 94.930 -7.332 -2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 32 94.203 -5.374 0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 32 92.473 -5.312 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 32 92.727 -7.254 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 32 91.644 -6.370 -1.727 1.00 0.00 H new ATOM 495 N ASN A 33 98.904 -1.948 -2.726 1.00 0.00 N ATOM 496 CA ASN A 33 99.007 -0.496 -2.786 1.00 0.00 C ATOM 497 C ASN A 33 99.369 -0.062 -4.199 1.00 0.00 C ATOM 498 O ASN A 33 100.471 -0.331 -4.681 1.00 0.00 O ATOM 499 CB ASN A 33 100.050 0.023 -1.784 1.00 0.00 C ATOM 500 CG ASN A 33 99.645 -0.204 -0.336 1.00 0.00 C ATOM 501 OD1 ASN A 33 98.939 -1.160 -0.015 1.00 0.00 O ATOM 502 ND2 ASN A 33 100.086 0.673 0.552 1.00 0.00 N ATOM 0 H ASN A 33 99.710 -2.411 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 33 98.041 -0.069 -2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 33 101.003 -0.471 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.206 1.089 -1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.842 0.568 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.669 1.454 0.251 1.00 0.00 H new ATOM 509 N HIS A 34 98.439 0.620 -4.852 1.00 0.00 N ATOM 510 CA HIS A 34 98.600 0.996 -6.250 1.00 0.00 C ATOM 511 C HIS A 34 99.661 2.075 -6.412 1.00 0.00 C ATOM 512 O HIS A 34 100.362 2.110 -7.420 1.00 0.00 O ATOM 513 CB HIS A 34 97.267 1.461 -6.844 1.00 0.00 C ATOM 514 CG HIS A 34 96.287 0.345 -7.070 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.782 0.026 -8.312 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.719 -0.526 -6.202 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.949 -0.993 -8.197 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.895 -1.345 -6.929 1.00 0.00 N ATOM 0 H HIS A 34 97.560 0.926 -4.434 1.00 0.00 H new ATOM 0 HA HIS A 34 98.932 0.113 -6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.819 2.197 -6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.457 1.964 -7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.885 -0.567 -5.136 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.405 -1.458 -9.005 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.331 -2.105 -6.549 1.00 0.00 H new ATOM 527 N SER A 35 99.781 2.944 -5.415 1.00 0.00 N ATOM 528 CA SER A 35 100.831 3.956 -5.408 1.00 0.00 C ATOM 529 C SER A 35 102.205 3.293 -5.487 1.00 0.00 C ATOM 530 O SER A 35 103.066 3.706 -6.267 1.00 0.00 O ATOM 531 CB SER A 35 100.732 4.810 -4.146 1.00 0.00 C ATOM 532 OG SER A 35 99.476 5.461 -4.070 1.00 0.00 O ATOM 0 H SER A 35 99.165 2.968 -4.602 1.00 0.00 H new ATOM 0 HA SER A 35 100.701 4.599 -6.279 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.874 4.183 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.531 5.552 -4.141 1.00 0.00 H new ATOM 0 HG SER A 35 99.436 6.000 -3.253 1.00 0.00 H new ATOM 538 N ALA A 36 102.390 2.245 -4.690 1.00 0.00 N ATOM 539 CA ALA A 36 103.633 1.489 -4.692 1.00 0.00 C ATOM 540 C ALA A 36 103.843 0.839 -6.052 1.00 0.00 C ATOM 541 O ALA A 36 104.917 0.940 -6.639 1.00 0.00 O ATOM 542 CB ALA A 36 103.617 0.438 -3.593 1.00 0.00 C ATOM 0 H ALA A 36 101.690 1.901 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 36 104.461 2.171 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.554 -0.119 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.500 0.925 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.785 -0.247 -3.757 1.00 0.00 H new ATOM 548 N LYS A 37 102.785 0.203 -6.546 1.00 0.00 N ATOM 549 CA LYS A 37 102.789 -0.436 -7.857 1.00 0.00 C ATOM 550 C LYS A 37 103.262 0.530 -8.945 1.00 0.00 C ATOM 551 O LYS A 37 104.108 0.180 -9.765 1.00 0.00 O ATOM 552 CB LYS A 37 101.381 -0.946 -8.182 1.00 0.00 C ATOM 553 CG LYS A 37 101.201 -1.393 -9.624 1.00 0.00 C ATOM 554 CD LYS A 37 99.744 -1.701 -9.927 1.00 0.00 C ATOM 555 CE LYS A 37 99.331 -1.151 -11.283 1.00 0.00 C ATOM 556 NZ LYS A 37 100.168 -1.684 -12.386 1.00 0.00 N ATOM 0 H LYS A 37 101.899 0.116 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 37 103.486 -1.274 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.147 -1.781 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.661 -0.157 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.558 -0.613 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.809 -2.278 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.587 -2.779 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.111 -1.272 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.286 -1.399 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.403 -0.063 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.767 -1.390 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.136 -1.314 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.189 -2.723 -12.335 1.00 0.00 H new ATOM 570 N LEU A 38 102.722 1.746 -8.938 1.00 0.00 N ATOM 571 CA LEU A 38 103.076 2.754 -9.936 1.00 0.00 C ATOM 572 C LEU A 38 104.568 3.071 -9.902 1.00 0.00 C ATOM 573 O LEU A 38 105.207 3.196 -10.947 1.00 0.00 O ATOM 574 CB LEU A 38 102.263 4.034 -9.722 1.00 0.00 C ATOM 575 CG LEU A 38 100.758 3.899 -9.970 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.048 5.208 -9.663 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.489 3.468 -11.405 1.00 0.00 C ATOM 0 H LEU A 38 102.036 2.059 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 38 102.838 2.343 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.417 4.377 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.656 4.809 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 38 100.367 3.131 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 38 98.979 5.094 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.212 5.475 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.443 5.995 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.414 3.377 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.895 4.212 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 38 100.965 2.505 -11.591 1.00 0.00 H new ATOM 589 N HIS A 39 105.126 3.185 -8.702 1.00 0.00 N ATOM 590 CA HIS A 39 106.551 3.466 -8.560 1.00 0.00 C ATOM 591 C HIS A 39 107.379 2.249 -8.965 1.00 0.00 C ATOM 592 O HIS A 39 108.482 2.386 -9.491 1.00 0.00 O ATOM 593 CB HIS A 39 106.900 3.883 -7.127 1.00 0.00 C ATOM 594 CG HIS A 39 106.259 5.167 -6.694 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.444 6.365 -7.350 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.425 5.435 -5.664 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.753 7.308 -6.741 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.124 6.770 -5.716 1.00 0.00 N ATOM 0 H HIS A 39 104.620 3.088 -7.821 1.00 0.00 H new ATOM 0 HA HIS A 39 106.790 4.297 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.597 3.089 -6.444 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.982 3.982 -7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 39 105.063 4.726 -4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.710 8.347 -7.033 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.513 7.266 -5.067 1.00 0.00 H new ATOM 607 N MET A 40 106.830 1.063 -8.731 1.00 0.00 N ATOM 608 CA MET A 40 107.503 -0.184 -9.087 1.00 0.00 C ATOM 609 C MET A 40 107.543 -0.372 -10.600 1.00 0.00 C ATOM 610 O MET A 40 108.441 -1.023 -11.125 1.00 0.00 O ATOM 611 CB MET A 40 106.806 -1.372 -8.418 1.00 0.00 C ATOM 612 CG MET A 40 106.993 -1.408 -6.909 1.00 0.00 C ATOM 613 SD MET A 40 105.912 -2.599 -6.091 1.00 0.00 S ATOM 614 CE MET A 40 106.414 -4.124 -6.884 1.00 0.00 C ATOM 0 H MET A 40 105.917 0.937 -8.294 1.00 0.00 H new ATOM 0 HA MET A 40 108.531 -0.131 -8.727 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.740 -1.333 -8.644 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.190 -2.298 -8.847 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.031 -1.653 -6.683 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.804 -0.415 -6.501 1.00 0.00 H new ATOM 0 HE1 MET A 40 105.690 -4.907 -6.659 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.463 -3.974 -7.963 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.395 -4.421 -6.514 1.00 0.00 H new ATOM 624 N VAL A 41 106.571 0.208 -11.298 1.00 0.00 N ATOM 625 CA VAL A 41 106.560 0.180 -12.759 1.00 0.00 C ATOM 626 C VAL A 41 107.753 0.956 -13.308 1.00 0.00 C ATOM 627 O VAL A 41 108.330 0.594 -14.334 1.00 0.00 O ATOM 628 CB VAL A 41 105.254 0.778 -13.336 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.268 0.772 -14.858 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.042 0.020 -12.824 1.00 0.00 C ATOM 0 H VAL A 41 105.783 0.702 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 41 106.622 -0.865 -13.064 1.00 0.00 H new ATOM 0 HB VAL A 41 105.190 1.813 -12.999 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.337 1.198 -15.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.109 1.366 -15.216 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.368 -0.252 -15.217 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.136 0.458 -13.242 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.113 -1.025 -13.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.006 0.083 -11.736 1.00 0.00 H new ATOM 640 N ALA A 42 108.134 2.007 -12.596 1.00 0.00 N ATOM 641 CA ALA A 42 109.228 2.866 -13.025 1.00 0.00 C ATOM 642 C ALA A 42 110.576 2.304 -12.590 1.00 0.00 C ATOM 643 O ALA A 42 111.624 2.818 -12.981 1.00 0.00 O ATOM 644 CB ALA A 42 109.034 4.270 -12.474 1.00 0.00 C ATOM 0 H ALA A 42 107.700 2.286 -11.716 1.00 0.00 H new ATOM 0 HA ALA A 42 109.222 2.907 -14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.857 4.906 -12.800 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.093 4.678 -12.842 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.013 4.234 -11.385 1.00 0.00 H new ATOM 650 N MET A 43 110.542 1.246 -11.787 1.00 0.00 N ATOM 651 CA MET A 43 111.763 0.606 -11.314 1.00 0.00 C ATOM 652 C MET A 43 112.480 -0.105 -12.451 1.00 0.00 C ATOM 653 O MET A 43 111.913 -0.971 -13.124 1.00 0.00 O ATOM 654 CB MET A 43 111.468 -0.383 -10.187 1.00 0.00 C ATOM 655 CG MET A 43 111.150 0.281 -8.862 1.00 0.00 C ATOM 656 SD MET A 43 110.825 -0.915 -7.552 1.00 0.00 S ATOM 657 CE MET A 43 110.713 0.162 -6.129 1.00 0.00 C ATOM 0 H MET A 43 109.682 0.814 -11.450 1.00 0.00 H new ATOM 0 HA MET A 43 112.412 1.390 -10.925 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.628 -1.013 -10.479 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.328 -1.040 -10.057 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.984 0.918 -8.569 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.281 0.928 -8.983 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.179 -0.349 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.716 0.422 -5.789 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.176 1.070 -6.402 1.00 0.00 H new ATOM 667 N ARG A 44 113.725 0.277 -12.657 1.00 0.00 N ATOM 668 CA ARG A 44 114.551 -0.294 -13.707 1.00 0.00 C ATOM 669 C ARG A 44 115.653 -1.139 -13.075 1.00 0.00 C ATOM 670 O ARG A 44 115.926 -1.011 -11.883 1.00 0.00 O ATOM 671 CB ARG A 44 115.151 0.836 -14.551 1.00 0.00 C ATOM 672 CG ARG A 44 114.106 1.835 -15.028 1.00 0.00 C ATOM 673 CD ARG A 44 114.732 3.094 -15.607 1.00 0.00 C ATOM 674 NE ARG A 44 115.376 2.857 -16.899 1.00 0.00 N ATOM 675 CZ ARG A 44 115.838 3.827 -17.692 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.747 5.101 -17.327 1.00 0.00 N ATOM 677 NH2 ARG A 44 116.391 3.523 -18.855 1.00 0.00 N ATOM 0 H ARG A 44 114.194 0.992 -12.102 1.00 0.00 H new ATOM 0 HA ARG A 44 113.949 -0.931 -14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.906 1.359 -13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.659 0.408 -15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 44 113.476 1.365 -15.783 1.00 0.00 H new ATOM 0 HG3 ARG A 44 113.458 2.105 -14.194 1.00 0.00 H new ATOM 0 HD2 ARG A 44 113.963 3.858 -15.723 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.468 3.486 -14.905 1.00 0.00 H new ATOM 0 HE ARG A 44 115.478 1.892 -17.213 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.321 5.346 -16.433 1.00 0.00 H new ATOM 0 HH12 ARG A 44 116.103 5.834 -17.940 1.00 0.00 H new ATOM 0 HH21 ARG A 44 116.464 2.548 -19.146 1.00 0.00 H new ATOM 0 HH22 ARG A 44 116.744 4.264 -19.461 1.00 0.00 H new ATOM 691 N ARG A 45 116.276 -2.014 -13.849 1.00 0.00 N ATOM 692 CA ARG A 45 117.353 -2.836 -13.310 1.00 0.00 C ATOM 693 C ARG A 45 118.546 -1.954 -12.969 1.00 0.00 C ATOM 694 O ARG A 45 118.961 -1.123 -13.779 1.00 0.00 O ATOM 695 CB ARG A 45 117.777 -3.924 -14.297 1.00 0.00 C ATOM 696 CG ARG A 45 118.635 -5.005 -13.655 1.00 0.00 C ATOM 697 CD ARG A 45 119.255 -5.942 -14.679 1.00 0.00 C ATOM 698 NE ARG A 45 118.261 -6.616 -15.518 1.00 0.00 N ATOM 699 CZ ARG A 45 117.964 -6.244 -16.766 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.551 -5.182 -17.306 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.093 -6.941 -17.479 1.00 0.00 N ATOM 0 H ARG A 45 116.062 -2.173 -14.833 1.00 0.00 H new ATOM 0 HA ARG A 45 116.986 -3.327 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.887 -4.382 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.331 -3.467 -15.117 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.427 -4.536 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.025 -5.583 -12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.935 -5.376 -15.316 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.853 -6.692 -14.161 1.00 0.00 H new ATOM 0 HE ARG A 45 117.766 -7.417 -15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.232 -4.647 -16.767 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.321 -4.902 -18.259 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.647 -7.765 -17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.868 -6.654 -18.432 1.00 0.00 H new ATOM 715 N GLY A 46 119.085 -2.120 -11.769 1.00 0.00 N ATOM 716 CA GLY A 46 120.176 -1.280 -11.331 1.00 0.00 C ATOM 717 C GLY A 46 119.687 -0.138 -10.466 1.00 0.00 C ATOM 718 O GLY A 46 120.462 0.737 -10.076 1.00 0.00 O ATOM 0 H GLY A 46 118.785 -2.822 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 46 120.895 -1.879 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.700 -0.881 -12.199 1.00 0.00 H new ATOM 722 N ASP A 47 118.383 -0.117 -10.207 1.00 0.00 N ATOM 723 CA ASP A 47 117.802 0.848 -9.281 1.00 0.00 C ATOM 724 C ASP A 47 118.079 0.405 -7.861 1.00 0.00 C ATOM 725 O ASP A 47 117.955 -0.773 -7.541 1.00 0.00 O ATOM 726 CB ASP A 47 116.292 0.991 -9.488 1.00 0.00 C ATOM 727 CG ASP A 47 115.934 1.819 -10.705 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.848 2.169 -11.488 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.739 2.128 -10.880 1.00 0.00 O ATOM 0 H ASP A 47 117.709 -0.758 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 47 118.259 1.819 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.850 -0.000 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.852 1.449 -8.602 1.00 0.00 H new ATOM 734 N ARG A 48 118.454 1.338 -7.015 1.00 0.00 N ATOM 735 CA ARG A 48 118.844 1.001 -5.660 1.00 0.00 C ATOM 736 C ARG A 48 117.930 1.690 -4.662 1.00 0.00 C ATOM 737 O ARG A 48 117.620 2.872 -4.796 1.00 0.00 O ATOM 738 CB ARG A 48 120.310 1.367 -5.432 1.00 0.00 C ATOM 739 CG ARG A 48 121.245 0.636 -6.386 1.00 0.00 C ATOM 740 CD ARG A 48 122.698 1.031 -6.199 1.00 0.00 C ATOM 741 NE ARG A 48 123.192 0.720 -4.857 1.00 0.00 N ATOM 742 CZ ARG A 48 123.855 -0.397 -4.545 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.003 -1.371 -5.435 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.340 -0.556 -3.320 1.00 0.00 N ATOM 0 H ARG A 48 118.498 2.332 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 48 118.741 -0.074 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.437 2.442 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.585 1.130 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 48 121.143 -0.439 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.945 0.845 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 48 123.310 0.514 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.808 2.099 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 48 123.020 1.398 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.608 -1.272 -6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.512 -2.219 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.206 0.174 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 48 124.847 -1.408 -3.079 1.00 0.00 H new ATOM 758 N ALA A 49 117.490 0.937 -3.672 1.00 0.00 N ATOM 759 CA ALA A 49 116.508 1.424 -2.724 1.00 0.00 C ATOM 760 C ALA A 49 116.987 1.238 -1.293 1.00 0.00 C ATOM 761 O ALA A 49 117.912 0.468 -1.030 1.00 0.00 O ATOM 762 CB ALA A 49 115.182 0.706 -2.932 1.00 0.00 C ATOM 0 H ALA A 49 117.800 -0.020 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 49 116.369 2.491 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.450 1.078 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.824 0.890 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.321 -0.365 -2.785 1.00 0.00 H new ATOM 768 N PHE A 50 116.338 1.937 -0.375 1.00 0.00 N ATOM 769 CA PHE A 50 116.624 1.787 1.044 1.00 0.00 C ATOM 770 C PHE A 50 115.739 0.703 1.637 1.00 0.00 C ATOM 771 O PHE A 50 114.518 0.725 1.469 1.00 0.00 O ATOM 772 CB PHE A 50 116.378 3.099 1.803 1.00 0.00 C ATOM 773 CG PHE A 50 117.448 4.138 1.621 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.789 3.793 1.697 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.111 5.464 1.399 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.773 4.750 1.549 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.092 6.425 1.249 1.00 0.00 C ATOM 778 CZ PHE A 50 119.425 6.069 1.325 1.00 0.00 C ATOM 0 H PHE A 50 115.607 2.616 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 50 117.674 1.514 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.425 3.517 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.284 2.876 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 50 119.067 2.764 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.071 5.749 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.814 4.468 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.817 7.454 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.193 6.819 1.210 1.00 0.00 H new ATOM 788 N TYR A 51 116.360 -0.252 2.312 1.00 0.00 N ATOM 789 CA TYR A 51 115.622 -1.311 2.968 1.00 0.00 C ATOM 790 C TYR A 51 115.162 -0.834 4.340 1.00 0.00 C ATOM 791 O TYR A 51 115.927 -0.836 5.309 1.00 0.00 O ATOM 792 CB TYR A 51 116.477 -2.576 3.091 1.00 0.00 C ATOM 793 CG TYR A 51 115.706 -3.787 3.566 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.066 -4.627 2.663 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.608 -4.083 4.918 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.357 -5.732 3.096 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.902 -5.182 5.357 1.00 0.00 C ATOM 798 CZ TYR A 51 114.276 -6.002 4.445 1.00 0.00 C ATOM 799 OH TYR A 51 113.566 -7.092 4.888 1.00 0.00 O ATOM 0 H TYR A 51 117.373 -0.312 2.418 1.00 0.00 H new ATOM 0 HA TYR A 51 114.748 -1.560 2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.923 -2.798 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.297 -2.384 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 51 115.123 -4.413 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.093 -3.441 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.870 -6.379 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.840 -5.399 6.413 1.00 0.00 H new ATOM 0 HH TYR A 51 113.908 -7.903 4.457 1.00 0.00 H new ATOM 809 N TYR A 52 113.917 -0.393 4.396 1.00 0.00 N ATOM 810 CA TYR A 52 113.337 0.153 5.609 1.00 0.00 C ATOM 811 C TYR A 52 112.370 -0.848 6.226 1.00 0.00 C ATOM 812 O TYR A 52 111.447 -1.322 5.564 1.00 0.00 O ATOM 813 CB TYR A 52 112.629 1.470 5.269 1.00 0.00 C ATOM 814 CG TYR A 52 111.811 2.085 6.388 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.377 2.991 7.275 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.463 1.777 6.539 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.624 3.574 8.278 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.707 2.350 7.542 1.00 0.00 C ATOM 819 CZ TYR A 52 110.290 3.248 8.406 1.00 0.00 C ATOM 820 OH TYR A 52 109.533 3.830 9.398 1.00 0.00 O ATOM 0 H TYR A 52 113.280 -0.404 3.600 1.00 0.00 H new ATOM 0 HA TYR A 52 114.120 0.349 6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.380 2.194 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.973 1.299 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.422 3.245 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 52 110.000 1.077 5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.078 4.280 8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.663 2.095 7.648 1.00 0.00 H new ATOM 0 HH TYR A 52 108.614 3.492 9.349 1.00 0.00 H new ATOM 830 N HIS A 53 112.593 -1.186 7.487 1.00 0.00 N ATOM 831 CA HIS A 53 111.710 -2.110 8.184 1.00 0.00 C ATOM 832 C HIS A 53 110.460 -1.394 8.664 1.00 0.00 C ATOM 833 O HIS A 53 110.532 -0.502 9.498 1.00 0.00 O ATOM 834 CB HIS A 53 112.421 -2.776 9.365 1.00 0.00 C ATOM 835 CG HIS A 53 113.082 -4.069 9.003 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.255 -4.509 9.576 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.713 -5.032 8.126 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.580 -5.683 9.067 1.00 0.00 C ATOM 839 NE2 HIS A 53 113.658 -6.024 8.184 1.00 0.00 N ATOM 0 H HIS A 53 113.372 -0.837 8.046 1.00 0.00 H new ATOM 0 HA HIS A 53 111.423 -2.889 7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.170 -2.091 9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.699 -2.955 10.161 1.00 0.00 H new ATOM 0 HD2 HIS A 53 111.836 -5.021 7.496 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.451 -6.266 9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 53 113.650 -6.884 7.636 1.00 0.00 H new ATOM 848 N SER A 54 109.319 -1.783 8.126 1.00 0.00 N ATOM 849 CA SER A 54 108.059 -1.181 8.515 1.00 0.00 C ATOM 850 C SER A 54 107.430 -1.992 9.640 1.00 0.00 C ATOM 851 O SER A 54 107.866 -3.115 9.911 1.00 0.00 O ATOM 852 CB SER A 54 107.112 -1.104 7.314 1.00 0.00 C ATOM 853 OG SER A 54 105.951 -0.346 7.616 1.00 0.00 O ATOM 0 H SER A 54 109.240 -2.513 7.418 1.00 0.00 H new ATOM 0 HA SER A 54 108.242 -0.167 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.632 -0.655 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.823 -2.111 7.012 1.00 0.00 H new ATOM 0 HG SER A 54 105.367 -0.314 6.829 1.00 0.00 H new ATOM 859 N ASN A 55 106.415 -1.415 10.283 1.00 0.00 N ATOM 860 CA ASN A 55 105.705 -2.055 11.396 1.00 0.00 C ATOM 861 C ASN A 55 106.593 -2.105 12.640 1.00 0.00 C ATOM 862 O ASN A 55 106.328 -1.418 13.627 1.00 0.00 O ATOM 863 CB ASN A 55 105.230 -3.463 11.002 1.00 0.00 C ATOM 864 CG ASN A 55 104.270 -4.091 12.002 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.325 -3.831 13.202 1.00 0.00 O ATOM 866 ND2 ASN A 55 103.381 -4.936 11.503 1.00 0.00 N ATOM 0 H ASN A 55 106.059 -0.488 10.048 1.00 0.00 H new ATOM 0 HA ASN A 55 104.824 -1.458 11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.743 -3.413 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.099 -4.111 10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 55 102.712 -5.396 12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 55 103.365 -5.127 10.501 1.00 0.00 H new ATOM 873 N GLU A 56 107.653 -2.895 12.581 1.00 0.00 N ATOM 874 CA GLU A 56 108.577 -3.020 13.694 1.00 0.00 C ATOM 875 C GLU A 56 109.953 -2.507 13.282 1.00 0.00 C ATOM 876 O GLU A 56 110.385 -2.705 12.143 1.00 0.00 O ATOM 877 CB GLU A 56 108.663 -4.477 14.162 1.00 0.00 C ATOM 878 CG GLU A 56 109.586 -4.694 15.353 1.00 0.00 C ATOM 879 CD GLU A 56 109.186 -3.871 16.563 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.650 -2.716 16.684 1.00 0.00 O ATOM 881 OE2 GLU A 56 108.403 -4.370 17.400 1.00 0.00 O ATOM 0 H GLU A 56 107.895 -3.462 11.768 1.00 0.00 H new ATOM 0 HA GLU A 56 108.211 -2.419 14.526 1.00 0.00 H new ATOM 0 HB2 GLU A 56 107.663 -4.823 14.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.007 -5.094 13.332 1.00 0.00 H new ATOM 0 HG2 GLU A 56 109.584 -5.751 15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 110.607 -4.440 15.067 1.00 0.00 H new ATOM 888 N GLY A 57 110.623 -1.836 14.206 1.00 0.00 N ATOM 889 CA GLY A 57 111.928 -1.275 13.935 1.00 0.00 C ATOM 890 C GLY A 57 111.831 0.130 13.383 1.00 0.00 C ATOM 891 O GLY A 57 112.309 1.083 14.002 1.00 0.00 O ATOM 0 H GLY A 57 110.279 -1.669 15.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.517 -1.266 14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.456 -1.910 13.223 1.00 0.00 H new ATOM 895 N LYS A 58 111.177 0.249 12.231 1.00 0.00 N ATOM 896 CA LYS A 58 111.040 1.520 11.525 1.00 0.00 C ATOM 897 C LYS A 58 112.408 2.149 11.311 1.00 0.00 C ATOM 898 O LYS A 58 112.658 3.288 11.708 1.00 0.00 O ATOM 899 CB LYS A 58 110.105 2.473 12.277 1.00 0.00 C ATOM 900 CG LYS A 58 108.729 1.882 12.548 1.00 0.00 C ATOM 901 CD LYS A 58 107.726 2.950 12.951 1.00 0.00 C ATOM 902 CE LYS A 58 107.339 3.832 11.772 1.00 0.00 C ATOM 903 NZ LYS A 58 106.270 4.806 12.129 1.00 0.00 N ATOM 0 H LYS A 58 110.726 -0.535 11.759 1.00 0.00 H new ATOM 0 HA LYS A 58 110.592 1.327 10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.566 2.750 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.991 3.390 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.373 1.367 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 58 108.803 1.136 13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 58 106.833 2.476 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.150 3.567 13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 108.218 4.372 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.998 3.206 10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 106.037 5.386 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 105.422 4.292 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.604 5.421 12.898 1.00 0.00 H new ATOM 917 N GLU A 59 113.289 1.393 10.676 1.00 0.00 N ATOM 918 CA GLU A 59 114.664 1.816 10.487 1.00 0.00 C ATOM 919 C GLU A 59 115.200 1.338 9.140 1.00 0.00 C ATOM 920 O GLU A 59 114.787 0.292 8.627 1.00 0.00 O ATOM 921 CB GLU A 59 115.535 1.285 11.634 1.00 0.00 C ATOM 922 CG GLU A 59 115.549 -0.233 11.741 1.00 0.00 C ATOM 923 CD GLU A 59 116.122 -0.729 13.055 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.361 -0.812 13.182 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.331 -1.064 13.962 1.00 0.00 O ATOM 0 H GLU A 59 113.073 0.478 10.281 1.00 0.00 H new ATOM 0 HA GLU A 59 114.697 2.905 10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.556 1.640 11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.176 1.703 12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.532 -0.609 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.133 -0.644 10.918 1.00 0.00 H new ATOM 932 N ILE A 60 116.095 2.126 8.565 1.00 0.00 N ATOM 933 CA ILE A 60 116.767 1.763 7.326 1.00 0.00 C ATOM 934 C ILE A 60 118.076 1.063 7.655 1.00 0.00 C ATOM 935 O ILE A 60 118.988 1.668 8.221 1.00 0.00 O ATOM 936 CB ILE A 60 117.051 3.000 6.447 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.748 3.750 6.145 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.745 2.584 5.157 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.948 5.033 5.367 1.00 0.00 C ATOM 0 H ILE A 60 116.376 3.031 8.942 1.00 0.00 H new ATOM 0 HA ILE A 60 116.110 1.098 6.765 1.00 0.00 H new ATOM 0 HB ILE A 60 117.714 3.672 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.084 3.094 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.246 3.980 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.939 3.466 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.688 2.092 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.105 1.895 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.982 5.507 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.585 5.709 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.421 4.809 4.411 1.00 0.00 H new ATOM 951 N VAL A 61 118.166 -0.213 7.314 1.00 0.00 N ATOM 952 CA VAL A 61 119.307 -1.023 7.732 1.00 0.00 C ATOM 953 C VAL A 61 120.248 -1.361 6.581 1.00 0.00 C ATOM 954 O VAL A 61 121.415 -1.683 6.808 1.00 0.00 O ATOM 955 CB VAL A 61 118.856 -2.336 8.408 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.115 -2.047 9.702 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.986 -3.162 7.472 1.00 0.00 C ATOM 0 H VAL A 61 117.472 -0.709 6.755 1.00 0.00 H new ATOM 0 HA VAL A 61 119.850 -0.408 8.450 1.00 0.00 H new ATOM 0 HB VAL A 61 119.749 -2.915 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.806 -2.986 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.772 -1.507 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.235 -1.440 9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.683 -4.081 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.100 -2.589 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.551 -3.409 6.573 1.00 0.00 H new ATOM 967 N GLY A 62 119.763 -1.295 5.350 1.00 0.00 N ATOM 968 CA GLY A 62 120.595 -1.695 4.236 1.00 0.00 C ATOM 969 C GLY A 62 120.103 -1.183 2.903 1.00 0.00 C ATOM 970 O GLY A 62 119.106 -0.464 2.830 1.00 0.00 O ATOM 0 H GLY A 62 118.825 -0.977 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.610 -1.334 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.645 -2.783 4.202 1.00 0.00 H new ATOM 974 N ILE A 63 120.815 -1.561 1.851 1.00 0.00 N ATOM 975 CA ILE A 63 120.490 -1.142 0.501 1.00 0.00 C ATOM 976 C ILE A 63 120.088 -2.346 -0.347 1.00 0.00 C ATOM 977 O ILE A 63 120.736 -3.394 -0.299 1.00 0.00 O ATOM 978 CB ILE A 63 121.699 -0.439 -0.157 1.00 0.00 C ATOM 979 CG1 ILE A 63 122.137 0.766 0.680 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.362 -0.010 -1.580 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.452 1.369 0.234 1.00 0.00 C ATOM 0 H ILE A 63 121.633 -2.167 1.912 1.00 0.00 H new ATOM 0 HA ILE A 63 119.656 -0.443 0.558 1.00 0.00 H new ATOM 0 HB ILE A 63 122.527 -1.147 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.362 1.531 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.222 0.461 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.226 0.483 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.099 -0.887 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.519 0.681 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.698 2.217 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.240 0.619 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.366 1.705 -0.799 1.00 0.00 H new ATOM 993 N ALA A 64 119.017 -2.195 -1.109 1.00 0.00 N ATOM 994 CA ALA A 64 118.561 -3.241 -2.014 1.00 0.00 C ATOM 995 C ALA A 64 118.671 -2.758 -3.455 1.00 0.00 C ATOM 996 O ALA A 64 118.688 -1.553 -3.705 1.00 0.00 O ATOM 997 CB ALA A 64 117.128 -3.640 -1.686 1.00 0.00 C ATOM 0 H ALA A 64 118.443 -1.352 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 64 119.193 -4.121 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.802 -4.423 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.079 -4.011 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.476 -2.773 -1.789 1.00 0.00 H new ATOM 1003 N GLU A 65 118.764 -3.682 -4.398 1.00 0.00 N ATOM 1004 CA GLU A 65 118.874 -3.307 -5.803 1.00 0.00 C ATOM 1005 C GLU A 65 117.912 -4.122 -6.656 1.00 0.00 C ATOM 1006 O GLU A 65 117.703 -5.314 -6.414 1.00 0.00 O ATOM 1007 CB GLU A 65 120.308 -3.496 -6.310 1.00 0.00 C ATOM 1008 CG GLU A 65 120.571 -2.843 -7.660 1.00 0.00 C ATOM 1009 CD GLU A 65 122.008 -2.995 -8.112 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.848 -2.144 -7.741 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.309 -3.964 -8.841 1.00 0.00 O ATOM 0 H GLU A 65 118.766 -4.687 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 65 118.611 -2.252 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.001 -3.084 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.520 -4.563 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.911 -3.284 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.323 -1.783 -7.601 1.00 0.00 H new ATOM 1018 N ILE A 66 117.324 -3.460 -7.641 1.00 0.00 N ATOM 1019 CA ILE A 66 116.428 -4.106 -8.585 1.00 0.00 C ATOM 1020 C ILE A 66 117.247 -4.833 -9.647 1.00 0.00 C ATOM 1021 O ILE A 66 117.781 -4.209 -10.561 1.00 0.00 O ATOM 1022 CB ILE A 66 115.505 -3.078 -9.285 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.870 -2.121 -8.268 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.424 -3.788 -10.088 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.040 -2.808 -7.206 1.00 0.00 C ATOM 0 H ILE A 66 117.455 -2.462 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 66 115.807 -4.809 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 66 116.118 -2.490 -9.967 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.660 -1.548 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.241 -1.408 -8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.786 -3.049 -10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.889 -4.418 -10.846 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.822 -4.406 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.627 -2.062 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.226 -3.358 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.668 -3.500 -6.645 1.00 0.00 H new ATOM 1037 N ILE A 67 117.361 -6.145 -9.517 1.00 0.00 N ATOM 1038 CA ILE A 67 118.159 -6.932 -10.454 1.00 0.00 C ATOM 1039 C ILE A 67 117.292 -7.507 -11.565 1.00 0.00 C ATOM 1040 O ILE A 67 117.768 -8.225 -12.444 1.00 0.00 O ATOM 1041 CB ILE A 67 118.908 -8.075 -9.741 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.937 -8.905 -8.895 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.032 -7.506 -8.889 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.593 -10.065 -8.174 1.00 0.00 C ATOM 0 H ILE A 67 116.915 -6.688 -8.778 1.00 0.00 H new ATOM 0 HA ILE A 67 118.894 -6.255 -10.890 1.00 0.00 H new ATOM 0 HB ILE A 67 119.346 -8.736 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.462 -8.255 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.146 -9.290 -9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.557 -8.320 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.730 -6.961 -9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.616 -6.829 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.843 -10.605 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.044 -10.738 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.365 -9.687 -7.503 1.00 0.00 H new ATOM 1056 N ARG A 68 116.022 -7.154 -11.532 1.00 0.00 N ATOM 1057 CA ARG A 68 115.058 -7.639 -12.503 1.00 0.00 C ATOM 1058 C ARG A 68 113.938 -6.623 -12.630 1.00 0.00 C ATOM 1059 O ARG A 68 113.237 -6.343 -11.658 1.00 0.00 O ATOM 1060 CB ARG A 68 114.502 -8.982 -12.050 1.00 0.00 C ATOM 1061 CG ARG A 68 114.423 -10.030 -13.143 1.00 0.00 C ATOM 1062 CD ARG A 68 113.925 -11.354 -12.586 1.00 0.00 C ATOM 1063 NE ARG A 68 114.657 -11.752 -11.383 1.00 0.00 N ATOM 1064 CZ ARG A 68 115.350 -12.882 -11.261 1.00 0.00 C ATOM 1065 NH1 ARG A 68 115.441 -13.732 -12.279 1.00 0.00 N ATOM 1066 NH2 ARG A 68 115.948 -13.161 -10.111 1.00 0.00 N ATOM 0 H ARG A 68 115.629 -6.524 -10.833 1.00 0.00 H new ATOM 0 HA ARG A 68 115.540 -7.772 -13.472 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.125 -9.365 -11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.504 -8.828 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.755 -9.688 -13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 68 115.406 -10.167 -13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 68 112.863 -11.273 -12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 68 114.028 -12.129 -13.346 1.00 0.00 H new ATOM 0 HE ARG A 68 114.635 -11.120 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 68 114.978 -13.521 -13.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 115.974 -14.595 -12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 68 115.875 -12.512 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 68 116.481 -14.025 -10.010 1.00 0.00 H new ATOM 1080 N GLU A 69 113.791 -6.064 -13.820 1.00 0.00 N ATOM 1081 CA GLU A 69 112.843 -4.983 -14.049 1.00 0.00 C ATOM 1082 C GLU A 69 111.409 -5.467 -13.875 1.00 0.00 C ATOM 1083 O GLU A 69 111.145 -6.670 -13.939 1.00 0.00 O ATOM 1084 CB GLU A 69 113.057 -4.398 -15.441 1.00 0.00 C ATOM 1085 CG GLU A 69 114.520 -4.107 -15.726 1.00 0.00 C ATOM 1086 CD GLU A 69 114.737 -3.325 -16.998 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.423 -3.853 -18.087 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.245 -2.188 -16.913 1.00 0.00 O ATOM 0 H GLU A 69 114.319 -6.342 -14.647 1.00 0.00 H new ATOM 0 HA GLU A 69 113.016 -4.202 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.675 -5.094 -16.188 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.480 -3.478 -15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.942 -3.550 -14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.065 -5.049 -15.790 1.00 0.00 H new ATOM 1095 N ALA A 70 110.499 -4.518 -13.655 1.00 0.00 N ATOM 1096 CA ALA A 70 109.101 -4.813 -13.346 1.00 0.00 C ATOM 1097 C ALA A 70 108.493 -5.825 -14.310 1.00 0.00 C ATOM 1098 O ALA A 70 108.375 -5.570 -15.511 1.00 0.00 O ATOM 1099 CB ALA A 70 108.280 -3.531 -13.349 1.00 0.00 C ATOM 0 H ALA A 70 110.712 -3.521 -13.686 1.00 0.00 H new ATOM 0 HA ALA A 70 109.080 -5.260 -12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.241 -3.764 -13.118 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.674 -2.845 -12.599 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.337 -3.065 -14.333 1.00 0.00 H new ATOM 1105 N TYR A 71 108.109 -6.967 -13.768 1.00 0.00 N ATOM 1106 CA TYR A 71 107.481 -8.023 -14.544 1.00 0.00 C ATOM 1107 C TYR A 71 106.236 -8.509 -13.811 1.00 0.00 C ATOM 1108 O TYR A 71 106.139 -8.344 -12.598 1.00 0.00 O ATOM 1109 CB TYR A 71 108.466 -9.180 -14.775 1.00 0.00 C ATOM 1110 CG TYR A 71 108.955 -9.860 -13.511 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.987 -9.314 -12.756 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.387 -11.052 -13.077 1.00 0.00 C ATOM 1113 CE1 TYR A 71 110.440 -9.936 -11.609 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.837 -11.682 -11.932 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.861 -11.119 -11.202 1.00 0.00 C ATOM 1116 OH TYR A 71 110.314 -11.744 -10.063 1.00 0.00 O ATOM 0 H TYR A 71 108.223 -7.189 -12.779 1.00 0.00 H new ATOM 0 HA TYR A 71 107.192 -7.634 -15.520 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.987 -9.925 -15.410 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.328 -8.801 -15.324 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.442 -8.387 -13.072 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.581 -11.493 -13.644 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.243 -9.498 -11.034 1.00 0.00 H new ATOM 0 HE2 TYR A 71 108.388 -12.611 -11.611 1.00 0.00 H new ATOM 0 HH TYR A 71 109.740 -12.512 -9.861 1.00 0.00 H new ATOM 1126 N PRO A 72 105.266 -9.095 -14.530 1.00 0.00 N ATOM 1127 CA PRO A 72 104.007 -9.561 -13.932 1.00 0.00 C ATOM 1128 C PRO A 72 104.228 -10.474 -12.728 1.00 0.00 C ATOM 1129 O PRO A 72 105.115 -11.332 -12.747 1.00 0.00 O ATOM 1130 CB PRO A 72 103.324 -10.337 -15.068 1.00 0.00 C ATOM 1131 CG PRO A 72 104.371 -10.524 -16.118 1.00 0.00 C ATOM 1132 CD PRO A 72 105.310 -9.365 -15.972 1.00 0.00 C ATOM 0 HA PRO A 72 103.416 -8.727 -13.552 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.948 -11.297 -14.715 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.470 -9.785 -15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.895 -11.470 -15.983 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.927 -10.544 -17.113 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.317 -9.615 -16.307 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.984 -8.504 -16.556 1.00 0.00 H new ATOM 1140 N ASP A 73 103.430 -10.264 -11.682 1.00 0.00 N ATOM 1141 CA ASP A 73 103.495 -11.082 -10.470 1.00 0.00 C ATOM 1142 C ASP A 73 103.452 -12.568 -10.809 1.00 0.00 C ATOM 1143 O ASP A 73 102.710 -12.987 -11.693 1.00 0.00 O ATOM 1144 CB ASP A 73 102.334 -10.747 -9.522 1.00 0.00 C ATOM 1145 CG ASP A 73 102.548 -9.466 -8.735 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.728 -8.407 -9.358 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.539 -9.528 -7.482 1.00 0.00 O ATOM 0 H ASP A 73 102.725 -9.528 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 73 104.440 -10.857 -9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 73 101.415 -10.659 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 73 102.194 -11.573 -8.825 1.00 0.00 H new ATOM 1152 N PRO A 74 104.237 -13.391 -10.092 1.00 0.00 N ATOM 1153 CA PRO A 74 104.303 -14.837 -10.335 1.00 0.00 C ATOM 1154 C PRO A 74 102.976 -15.540 -10.048 1.00 0.00 C ATOM 1155 O PRO A 74 102.810 -16.728 -10.332 1.00 0.00 O ATOM 1156 CB PRO A 74 105.387 -15.319 -9.364 1.00 0.00 C ATOM 1157 CG PRO A 74 105.449 -14.271 -8.307 1.00 0.00 C ATOM 1158 CD PRO A 74 105.125 -12.975 -8.993 1.00 0.00 C ATOM 0 HA PRO A 74 104.521 -15.060 -11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 74 105.135 -16.292 -8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 74 106.347 -15.430 -9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.737 -14.479 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 74 106.438 -14.235 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.631 -12.275 -8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 74 106.022 -12.481 -9.365 1.00 0.00 H new ATOM 1242 N PHE A 81 98.994 -6.454 -12.186 1.00 0.00 N ATOM 1243 CA PHE A 81 99.950 -6.817 -11.153 1.00 0.00 C ATOM 1244 C PHE A 81 101.351 -6.950 -11.729 1.00 0.00 C ATOM 1245 O PHE A 81 101.619 -7.824 -12.557 1.00 0.00 O ATOM 1246 CB PHE A 81 99.534 -8.111 -10.456 1.00 0.00 C ATOM 1247 CG PHE A 81 98.293 -7.966 -9.623 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.276 -7.112 -8.530 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.146 -8.677 -9.933 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.136 -6.975 -7.760 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.004 -8.545 -9.167 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.999 -7.692 -8.079 1.00 0.00 C ATOM 0 HA PHE A 81 99.960 -6.017 -10.413 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.370 -8.884 -11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.351 -8.452 -9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.162 -6.548 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.144 -9.343 -10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.134 -6.308 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.117 -9.107 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.107 -7.586 -7.479 1.00 0.00 H new ATOM 1262 N VAL A 82 102.230 -6.057 -11.300 1.00 0.00 N ATOM 1263 CA VAL A 82 103.617 -6.067 -11.729 1.00 0.00 C ATOM 1264 C VAL A 82 104.539 -5.934 -10.523 1.00 0.00 C ATOM 1265 O VAL A 82 104.395 -5.017 -9.710 1.00 0.00 O ATOM 1266 CB VAL A 82 103.919 -4.944 -12.752 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.221 -5.221 -14.075 1.00 0.00 C ATOM 1268 CG2 VAL A 82 103.500 -3.584 -12.214 1.00 0.00 C ATOM 0 H VAL A 82 102.001 -5.308 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 82 103.798 -7.020 -12.225 1.00 0.00 H new ATOM 0 HB VAL A 82 104.996 -4.929 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.446 -4.420 -14.780 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.572 -6.170 -14.480 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.144 -5.271 -13.915 1.00 0.00 H new ATOM 0 HG21 VAL A 82 103.724 -2.815 -12.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 102.430 -3.588 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.046 -3.373 -11.294 1.00 0.00 H new ATOM 1278 N CYS A 83 105.475 -6.856 -10.409 1.00 0.00 N ATOM 1279 CA CYS A 83 106.382 -6.888 -9.282 1.00 0.00 C ATOM 1280 C CYS A 83 107.825 -6.746 -9.749 1.00 0.00 C ATOM 1281 O CYS A 83 108.136 -6.940 -10.927 1.00 0.00 O ATOM 1282 CB CYS A 83 106.210 -8.197 -8.508 1.00 0.00 C ATOM 1283 SG CYS A 83 106.564 -9.683 -9.479 1.00 0.00 S ATOM 0 H CYS A 83 105.627 -7.599 -11.091 1.00 0.00 H new ATOM 0 HA CYS A 83 106.146 -6.050 -8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 83 106.866 -8.180 -7.637 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.187 -8.255 -8.136 1.00 0.00 H new ATOM 0 HG CYS A 83 106.458 -9.409 -10.745 1.00 0.00 H new ATOM 1289 N VAL A 84 108.697 -6.392 -8.823 1.00 0.00 N ATOM 1290 CA VAL A 84 110.120 -6.317 -9.100 1.00 0.00 C ATOM 1291 C VAL A 84 110.862 -7.347 -8.266 1.00 0.00 C ATOM 1292 O VAL A 84 110.363 -7.790 -7.234 1.00 0.00 O ATOM 1293 CB VAL A 84 110.691 -4.912 -8.814 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.134 -3.898 -9.800 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.393 -4.487 -7.380 1.00 0.00 C ATOM 0 H VAL A 84 108.442 -6.150 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 84 110.260 -6.524 -10.161 1.00 0.00 H new ATOM 0 HB VAL A 84 111.773 -4.953 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.548 -2.913 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.406 -4.190 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.048 -3.863 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.805 -3.494 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.315 -4.466 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.846 -5.197 -6.688 1.00 0.00 H new ATOM 1305 N ASP A 85 112.039 -7.734 -8.714 1.00 0.00 N ATOM 1306 CA ASP A 85 112.833 -8.727 -8.005 1.00 0.00 C ATOM 1307 C ASP A 85 114.025 -8.049 -7.346 1.00 0.00 C ATOM 1308 O ASP A 85 114.887 -7.486 -8.030 1.00 0.00 O ATOM 1309 CB ASP A 85 113.290 -9.807 -8.978 1.00 0.00 C ATOM 1310 CG ASP A 85 113.949 -10.990 -8.303 1.00 0.00 C ATOM 1311 OD1 ASP A 85 113.229 -11.800 -7.693 1.00 0.00 O ATOM 1312 OD2 ASP A 85 115.180 -11.138 -8.433 1.00 0.00 O ATOM 0 H ASP A 85 112.471 -7.378 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 85 112.230 -9.197 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 85 112.430 -10.158 -9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 85 113.989 -9.370 -9.691 1.00 0.00 H new ATOM 1317 N ILE A 86 114.059 -8.080 -6.022 1.00 0.00 N ATOM 1318 CA ILE A 86 115.045 -7.319 -5.269 1.00 0.00 C ATOM 1319 C ILE A 86 116.075 -8.223 -4.604 1.00 0.00 C ATOM 1320 O ILE A 86 115.761 -9.336 -4.169 1.00 0.00 O ATOM 1321 CB ILE A 86 114.376 -6.441 -4.186 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.634 -7.309 -3.163 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.423 -5.444 -4.829 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.052 -6.524 -2.007 1.00 0.00 C ATOM 0 H ILE A 86 113.415 -8.624 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 86 115.551 -6.679 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 86 115.156 -5.890 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.830 -7.844 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.320 -8.060 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.959 -4.833 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 86 113.976 -4.803 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.650 -5.982 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.542 -7.205 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.853 -6.010 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.340 -5.791 -2.387 1.00 0.00 H new ATOM 1336 N LYS A 87 117.307 -7.742 -4.541 1.00 0.00 N ATOM 1337 CA LYS A 87 118.358 -8.423 -3.804 1.00 0.00 C ATOM 1338 C LYS A 87 118.937 -7.474 -2.765 1.00 0.00 C ATOM 1339 O LYS A 87 118.980 -6.260 -2.986 1.00 0.00 O ATOM 1340 CB LYS A 87 119.488 -8.892 -4.736 1.00 0.00 C ATOM 1341 CG LYS A 87 120.452 -7.780 -5.138 1.00 0.00 C ATOM 1342 CD LYS A 87 121.684 -8.316 -5.854 1.00 0.00 C ATOM 1343 CE LYS A 87 122.733 -7.229 -6.057 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.383 -6.830 -4.777 1.00 0.00 N ATOM 0 H LYS A 87 117.604 -6.878 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 87 117.922 -9.299 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.048 -9.686 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.049 -9.324 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.936 -7.072 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.761 -7.231 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.114 -9.134 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.393 -8.727 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.493 -7.585 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.266 -6.356 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.549 -5.803 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.763 -7.081 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.291 -7.327 -4.679 1.00 0.00 H new ATOM 1358 N ALA A 88 119.359 -8.008 -1.634 1.00 0.00 N ATOM 1359 CA ALA A 88 120.139 -7.227 -0.696 1.00 0.00 C ATOM 1360 C ALA A 88 121.516 -6.978 -1.288 1.00 0.00 C ATOM 1361 O ALA A 88 122.139 -7.891 -1.832 1.00 0.00 O ATOM 1362 CB ALA A 88 120.253 -7.934 0.641 1.00 0.00 C ATOM 0 H ALA A 88 119.177 -8.969 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 88 119.638 -6.275 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.844 -7.325 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.258 -8.087 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.740 -8.899 0.502 1.00 0.00 H new ATOM 1368 N ASP A 89 121.972 -5.742 -1.228 1.00 0.00 N ATOM 1369 CA ASP A 89 123.278 -5.403 -1.766 1.00 0.00 C ATOM 1370 C ASP A 89 124.306 -5.384 -0.648 1.00 0.00 C ATOM 1371 O ASP A 89 125.103 -6.309 -0.508 1.00 0.00 O ATOM 1372 CB ASP A 89 123.228 -4.054 -2.482 1.00 0.00 C ATOM 1373 CG ASP A 89 124.481 -3.783 -3.285 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.643 -4.399 -4.363 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.293 -2.937 -2.858 1.00 0.00 O ATOM 0 H ASP A 89 121.463 -4.960 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 89 123.569 -6.159 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.362 -4.028 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.091 -3.260 -1.748 1.00 0.00 H new ATOM 1380 N LYS A 90 124.278 -4.331 0.150 1.00 0.00 N ATOM 1381 CA LYS A 90 125.094 -4.261 1.348 1.00 0.00 C ATOM 1382 C LYS A 90 124.413 -3.353 2.364 1.00 0.00 C ATOM 1383 O LYS A 90 123.750 -2.383 1.987 1.00 0.00 O ATOM 1384 CB LYS A 90 126.518 -3.784 1.020 1.00 0.00 C ATOM 1385 CG LYS A 90 126.626 -2.333 0.576 1.00 0.00 C ATOM 1386 CD LYS A 90 128.011 -2.041 0.023 1.00 0.00 C ATOM 1387 CE LYS A 90 128.298 -0.551 -0.045 1.00 0.00 C ATOM 1388 NZ LYS A 90 128.495 0.035 1.309 1.00 0.00 N ATOM 0 H LYS A 90 123.696 -3.509 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 90 125.190 -5.257 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 90 127.144 -3.926 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.925 -4.420 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.874 -2.124 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 90 126.419 -1.673 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 90 128.760 -2.526 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.101 -2.473 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 90 129.189 -0.379 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.472 -0.044 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 129.213 0.786 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 127.597 0.435 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 128.813 -0.706 1.965 1.00 0.00 H new ATOM 1402 N PRO A 91 124.530 -3.668 3.658 1.00 0.00 N ATOM 1403 CA PRO A 91 123.856 -2.911 4.710 1.00 0.00 C ATOM 1404 C PRO A 91 124.550 -1.592 5.035 1.00 0.00 C ATOM 1405 O PRO A 91 125.578 -1.246 4.442 1.00 0.00 O ATOM 1406 CB PRO A 91 123.918 -3.858 5.909 1.00 0.00 C ATOM 1407 CG PRO A 91 125.163 -4.650 5.696 1.00 0.00 C ATOM 1408 CD PRO A 91 125.321 -4.789 4.204 1.00 0.00 C ATOM 0 HA PRO A 91 122.846 -2.623 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 91 123.954 -3.307 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.040 -4.503 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.025 -4.146 6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.089 -5.627 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.367 -4.723 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 91 124.949 -5.750 3.850 1.00 0.00 H new ATOM 1416 N LEU A 92 123.968 -0.858 5.970 1.00 0.00 N ATOM 1417 CA LEU A 92 124.548 0.385 6.442 1.00 0.00 C ATOM 1418 C LEU A 92 125.412 0.124 7.666 1.00 0.00 C ATOM 1419 O LEU A 92 125.242 -0.884 8.353 1.00 0.00 O ATOM 1420 CB LEU A 92 123.445 1.394 6.775 1.00 0.00 C ATOM 1421 CG LEU A 92 122.643 1.897 5.574 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.539 2.837 6.028 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.556 2.590 4.572 1.00 0.00 C ATOM 0 H LEU A 92 123.087 -1.106 6.419 1.00 0.00 H new ATOM 0 HA LEU A 92 125.173 0.804 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.757 0.936 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.896 2.251 7.275 1.00 0.00 H new ATOM 0 HG LEU A 92 122.185 1.038 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.978 3.185 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.868 2.310 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.978 3.691 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.967 2.941 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.044 3.439 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.312 1.887 4.222 1.00 0.00 H new ATOM 1435 N LYS A 93 126.338 1.032 7.934 1.00 0.00 N ATOM 1436 CA LYS A 93 127.246 0.884 9.058 1.00 0.00 C ATOM 1437 C LYS A 93 126.487 1.135 10.358 1.00 0.00 C ATOM 1438 O LYS A 93 126.732 0.482 11.378 1.00 0.00 O ATOM 1439 CB LYS A 93 128.421 1.854 8.888 1.00 0.00 C ATOM 1440 CG LYS A 93 129.598 1.607 9.820 1.00 0.00 C ATOM 1441 CD LYS A 93 129.495 2.431 11.092 1.00 0.00 C ATOM 1442 CE LYS A 93 130.769 2.330 11.913 1.00 0.00 C ATOM 1443 NZ LYS A 93 130.751 3.237 13.088 1.00 0.00 N ATOM 0 H LYS A 93 126.480 1.881 7.386 1.00 0.00 H new ATOM 0 HA LYS A 93 127.647 -0.129 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.774 1.797 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.059 2.870 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.643 0.548 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.527 1.850 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 93 129.303 3.474 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 93 128.648 2.086 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.901 1.302 12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.625 2.571 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 131.639 3.135 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 130.651 4.221 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 129.950 2.992 13.704 1.00 0.00 H new ATOM 1457 N THR A 94 125.550 2.068 10.292 1.00 0.00 N ATOM 1458 CA THR A 94 124.660 2.366 11.398 1.00 0.00 C ATOM 1459 C THR A 94 123.220 2.468 10.892 1.00 0.00 C ATOM 1460 O THR A 94 122.907 3.336 10.078 1.00 0.00 O ATOM 1461 CB THR A 94 125.067 3.679 12.101 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.371 3.533 12.681 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.070 4.059 13.187 1.00 0.00 C ATOM 0 H THR A 94 125.387 2.641 9.464 1.00 0.00 H new ATOM 0 HA THR A 94 124.733 1.556 12.124 1.00 0.00 H new ATOM 0 HB THR A 94 125.078 4.472 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.627 4.368 13.125 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.386 4.988 13.662 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.084 4.195 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.026 3.266 13.934 1.00 0.00 H new ATOM 1471 N PRO A 95 122.339 1.558 11.341 1.00 0.00 N ATOM 1472 CA PRO A 95 120.925 1.562 10.952 1.00 0.00 C ATOM 1473 C PRO A 95 120.239 2.877 11.303 1.00 0.00 C ATOM 1474 O PRO A 95 120.294 3.334 12.447 1.00 0.00 O ATOM 1475 CB PRO A 95 120.322 0.411 11.763 1.00 0.00 C ATOM 1476 CG PRO A 95 121.475 -0.467 12.104 1.00 0.00 C ATOM 1477 CD PRO A 95 122.655 0.451 12.258 1.00 0.00 C ATOM 0 HA PRO A 95 120.799 1.448 9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.827 0.779 12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.573 -0.129 11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.287 -1.020 13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.652 -1.203 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.765 0.798 13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.588 -0.043 11.987 1.00 0.00 H new ATOM 1485 N VAL A 96 119.590 3.475 10.316 1.00 0.00 N ATOM 1486 CA VAL A 96 118.952 4.768 10.501 1.00 0.00 C ATOM 1487 C VAL A 96 117.512 4.588 10.954 1.00 0.00 C ATOM 1488 O VAL A 96 116.629 4.291 10.148 1.00 0.00 O ATOM 1489 CB VAL A 96 118.976 5.607 9.204 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.455 7.014 9.460 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.379 5.652 8.619 1.00 0.00 C ATOM 0 H VAL A 96 119.491 3.085 9.379 1.00 0.00 H new ATOM 0 HA VAL A 96 119.516 5.300 11.267 1.00 0.00 H new ATOM 0 HB VAL A 96 118.318 5.128 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.481 7.586 8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.429 6.961 9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.081 7.504 10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.374 6.248 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.060 6.101 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.710 4.639 8.389 1.00 0.00 H new ATOM 1501 N THR A 97 117.286 4.739 12.249 1.00 0.00 N ATOM 1502 CA THR A 97 115.949 4.632 12.806 1.00 0.00 C ATOM 1503 C THR A 97 115.124 5.864 12.449 1.00 0.00 C ATOM 1504 O THR A 97 115.678 6.890 12.047 1.00 0.00 O ATOM 1505 CB THR A 97 115.999 4.472 14.336 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.739 5.555 14.919 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.640 3.148 14.719 1.00 0.00 C ATOM 0 H THR A 97 118.014 4.937 12.935 1.00 0.00 H new ATOM 0 HA THR A 97 115.480 3.747 12.377 1.00 0.00 H new ATOM 0 HB THR A 97 114.977 4.486 14.715 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.765 5.447 15.893 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.665 3.056 15.805 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.059 2.327 14.299 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.657 3.110 14.328 1.00 0.00 H new ATOM 1515 N LEU A 98 113.809 5.768 12.601 1.00 0.00 N ATOM 1516 CA LEU A 98 112.925 6.887 12.308 1.00 0.00 C ATOM 1517 C LEU A 98 113.252 8.068 13.217 1.00 0.00 C ATOM 1518 O LEU A 98 113.157 9.224 12.812 1.00 0.00 O ATOM 1519 CB LEU A 98 111.461 6.477 12.480 1.00 0.00 C ATOM 1520 CG LEU A 98 110.439 7.542 12.081 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.545 7.855 10.596 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.032 7.092 12.433 1.00 0.00 C ATOM 0 H LEU A 98 113.332 4.927 12.925 1.00 0.00 H new ATOM 0 HA LEU A 98 113.079 7.186 11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.279 5.580 11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.295 6.209 13.523 1.00 0.00 H new ATOM 0 HG LEU A 98 110.657 8.452 12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.810 8.615 10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.546 8.225 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.355 6.950 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.320 7.864 12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.803 6.167 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.963 6.922 13.507 1.00 0.00 H new ATOM 1534 N ALA A 99 113.661 7.760 14.443 1.00 0.00 N ATOM 1535 CA ALA A 99 114.068 8.784 15.395 1.00 0.00 C ATOM 1536 C ALA A 99 115.299 9.527 14.883 1.00 0.00 C ATOM 1537 O ALA A 99 115.422 10.741 15.054 1.00 0.00 O ATOM 1538 CB ALA A 99 114.349 8.163 16.754 1.00 0.00 C ATOM 0 H ALA A 99 113.719 6.806 14.800 1.00 0.00 H new ATOM 0 HA ALA A 99 113.253 9.499 15.504 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.652 8.942 17.454 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.448 7.673 17.124 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.149 7.428 16.660 1.00 0.00 H new ATOM 1544 N ALA A 100 116.198 8.787 14.243 1.00 0.00 N ATOM 1545 CA ALA A 100 117.398 9.372 13.660 1.00 0.00 C ATOM 1546 C ALA A 100 117.048 10.197 12.428 1.00 0.00 C ATOM 1547 O ALA A 100 117.611 11.267 12.211 1.00 0.00 O ATOM 1548 CB ALA A 100 118.398 8.282 13.306 1.00 0.00 C ATOM 0 H ALA A 100 116.117 7.778 14.115 1.00 0.00 H new ATOM 0 HA ALA A 100 117.853 10.034 14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.290 8.734 12.871 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.672 7.733 14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.950 7.597 12.586 1.00 0.00 H new ATOM 1554 N VAL A 101 116.109 9.697 11.630 1.00 0.00 N ATOM 1555 CA VAL A 101 115.632 10.417 10.451 1.00 0.00 C ATOM 1556 C VAL A 101 115.129 11.806 10.834 1.00 0.00 C ATOM 1557 O VAL A 101 115.441 12.795 10.175 1.00 0.00 O ATOM 1558 CB VAL A 101 114.496 9.645 9.738 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.940 10.446 8.568 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.987 8.286 9.262 1.00 0.00 C ATOM 0 H VAL A 101 115.661 8.793 11.778 1.00 0.00 H new ATOM 0 HA VAL A 101 116.476 10.510 9.768 1.00 0.00 H new ATOM 0 HB VAL A 101 113.693 9.492 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.143 9.880 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.543 11.393 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.736 10.639 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.173 7.759 8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.813 8.422 8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.327 7.702 10.117 1.00 0.00 H new ATOM 1570 N LYS A 102 114.374 11.870 11.925 1.00 0.00 N ATOM 1571 CA LYS A 102 113.820 13.131 12.407 1.00 0.00 C ATOM 1572 C LYS A 102 114.924 14.076 12.882 1.00 0.00 C ATOM 1573 O LYS A 102 114.741 15.294 12.915 1.00 0.00 O ATOM 1574 CB LYS A 102 112.832 12.871 13.547 1.00 0.00 C ATOM 1575 CG LYS A 102 111.692 11.941 13.165 1.00 0.00 C ATOM 1576 CD LYS A 102 110.761 11.685 14.337 1.00 0.00 C ATOM 1577 CE LYS A 102 109.626 10.755 13.948 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.633 10.593 15.042 1.00 0.00 N ATOM 0 H LYS A 102 114.130 11.060 12.495 1.00 0.00 H new ATOM 0 HA LYS A 102 113.298 13.607 11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.371 12.443 14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.417 13.822 13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 102 111.128 12.376 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 102 112.098 10.994 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 102 111.324 11.250 15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.353 12.631 14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.127 11.145 13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 102 110.033 9.780 13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.877 9.950 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.102 10.196 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.224 11.519 15.280 1.00 0.00 H new ATOM 1592 N ALA A 103 116.072 13.508 13.236 1.00 0.00 N ATOM 1593 CA ALA A 103 117.197 14.289 13.737 1.00 0.00 C ATOM 1594 C ALA A 103 117.944 14.967 12.594 1.00 0.00 C ATOM 1595 O ALA A 103 118.777 15.847 12.813 1.00 0.00 O ATOM 1596 CB ALA A 103 118.145 13.406 14.533 1.00 0.00 C ATOM 0 H ALA A 103 116.248 12.505 13.185 1.00 0.00 H new ATOM 0 HA ALA A 103 116.802 15.064 14.394 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.979 14.005 14.899 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.613 12.970 15.378 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.524 12.609 13.893 1.00 0.00 H new ATOM 1602 N GLU A 104 117.651 14.547 11.375 1.00 0.00 N ATOM 1603 CA GLU A 104 118.272 15.128 10.199 1.00 0.00 C ATOM 1604 C GLU A 104 117.306 16.117 9.546 1.00 0.00 C ATOM 1605 O GLU A 104 116.297 15.718 8.965 1.00 0.00 O ATOM 1606 CB GLU A 104 118.678 14.023 9.221 1.00 0.00 C ATOM 1607 CG GLU A 104 119.584 14.496 8.096 1.00 0.00 C ATOM 1608 CD GLU A 104 120.917 15.019 8.594 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.986 16.202 8.986 1.00 0.00 O ATOM 1610 OE2 GLU A 104 121.904 14.256 8.591 1.00 0.00 O ATOM 0 H GLU A 104 116.984 13.802 11.174 1.00 0.00 H new ATOM 0 HA GLU A 104 119.174 15.668 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.184 13.231 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.778 13.585 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.758 13.671 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 104 119.078 15.281 7.534 1.00 0.00 H new ATOM 1617 N PRO A 105 117.600 17.424 9.661 1.00 0.00 N ATOM 1618 CA PRO A 105 116.719 18.505 9.201 1.00 0.00 C ATOM 1619 C PRO A 105 116.199 18.338 7.771 1.00 0.00 C ATOM 1620 O PRO A 105 115.033 18.626 7.501 1.00 0.00 O ATOM 1621 CB PRO A 105 117.589 19.768 9.303 1.00 0.00 C ATOM 1622 CG PRO A 105 118.970 19.290 9.603 1.00 0.00 C ATOM 1623 CD PRO A 105 118.818 17.959 10.274 1.00 0.00 C ATOM 0 HA PRO A 105 115.814 18.531 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 105 117.565 20.335 8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 105 117.226 20.430 10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 105 119.557 19.200 8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 105 119.493 19.994 10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 105 119.678 17.314 10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 105 118.716 18.060 11.355 1.00 0.00 H new ATOM 1631 N ARG A 106 117.042 17.877 6.852 1.00 0.00 N ATOM 1632 CA ARG A 106 116.629 17.762 5.455 1.00 0.00 C ATOM 1633 C ARG A 106 115.898 16.449 5.178 1.00 0.00 C ATOM 1634 O ARG A 106 115.629 16.114 4.022 1.00 0.00 O ATOM 1635 CB ARG A 106 117.818 17.919 4.507 1.00 0.00 C ATOM 1636 CG ARG A 106 118.436 19.307 4.547 1.00 0.00 C ATOM 1637 CD ARG A 106 118.932 19.743 3.176 1.00 0.00 C ATOM 1638 NE ARG A 106 120.021 18.908 2.673 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.249 18.682 1.382 1.00 0.00 C ATOM 1640 NH1 ARG A 106 119.408 19.139 0.459 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.311 17.980 1.012 1.00 0.00 N ATOM 0 H ARG A 106 117.999 17.581 7.043 1.00 0.00 H new ATOM 0 HA ARG A 106 115.929 18.577 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.579 17.182 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.494 17.702 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.699 20.023 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 106 119.266 19.315 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 106 118.103 19.714 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 106 119.270 20.778 3.230 1.00 0.00 H new ATOM 0 HE ARG A 106 120.644 18.472 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 106 118.581 19.667 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 106 119.590 18.962 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.951 17.614 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 106 121.488 17.806 0.023 1.00 0.00 H new ATOM 1655 N LEU A 107 115.545 15.729 6.233 1.00 0.00 N ATOM 1656 CA LEU A 107 114.739 14.522 6.099 1.00 0.00 C ATOM 1657 C LEU A 107 113.371 14.720 6.750 1.00 0.00 C ATOM 1658 O LEU A 107 112.589 13.779 6.881 1.00 0.00 O ATOM 1659 CB LEU A 107 115.452 13.325 6.734 1.00 0.00 C ATOM 1660 CG LEU A 107 116.806 12.969 6.120 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.384 11.739 6.800 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.674 12.741 4.621 1.00 0.00 C ATOM 0 H LEU A 107 115.804 15.959 7.192 1.00 0.00 H new ATOM 0 HA LEU A 107 114.599 14.322 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.595 13.530 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.799 12.455 6.663 1.00 0.00 H new ATOM 0 HG LEU A 107 117.488 13.805 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.348 11.496 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.516 11.940 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.702 10.898 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.649 12.489 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 107 115.978 11.922 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.300 13.648 4.147 1.00 0.00 H new ATOM 1674 N ALA A 108 113.081 15.962 7.124 1.00 0.00 N ATOM 1675 CA ALA A 108 111.842 16.290 7.822 1.00 0.00 C ATOM 1676 C ALA A 108 110.640 16.248 6.883 1.00 0.00 C ATOM 1677 O ALA A 108 109.574 15.759 7.252 1.00 0.00 O ATOM 1678 CB ALA A 108 111.951 17.660 8.476 1.00 0.00 C ATOM 0 H ALA A 108 113.691 16.762 6.954 1.00 0.00 H new ATOM 0 HA ALA A 108 111.687 15.536 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.020 17.892 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.773 17.657 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.139 18.414 7.712 1.00 0.00 H new ATOM 1684 N ASP A 109 110.811 16.756 5.666 1.00 0.00 N ATOM 1685 CA ASP A 109 109.714 16.774 4.698 1.00 0.00 C ATOM 1686 C ASP A 109 109.842 15.622 3.708 1.00 0.00 C ATOM 1687 O ASP A 109 109.104 15.554 2.723 1.00 0.00 O ATOM 1688 CB ASP A 109 109.630 18.117 3.951 1.00 0.00 C ATOM 1689 CG ASP A 109 110.803 18.383 3.024 1.00 0.00 C ATOM 1690 OD1 ASP A 109 110.799 17.878 1.880 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.726 19.122 3.427 1.00 0.00 O ATOM 0 H ASP A 109 111.686 17.156 5.328 1.00 0.00 H new ATOM 0 HA ASP A 109 108.788 16.650 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 109 108.708 18.141 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 109 109.567 18.924 4.681 1.00 0.00 H new ATOM 1696 N MET A 110 110.769 14.711 3.987 1.00 0.00 N ATOM 1697 CA MET A 110 110.945 13.519 3.165 1.00 0.00 C ATOM 1698 C MET A 110 109.702 12.642 3.264 1.00 0.00 C ATOM 1699 O MET A 110 109.049 12.606 4.309 1.00 0.00 O ATOM 1700 CB MET A 110 112.193 12.737 3.606 1.00 0.00 C ATOM 1701 CG MET A 110 112.470 11.499 2.763 1.00 0.00 C ATOM 1702 SD MET A 110 114.052 10.714 3.144 1.00 0.00 S ATOM 1703 CE MET A 110 113.783 10.160 4.824 1.00 0.00 C ATOM 0 H MET A 110 111.411 14.776 4.777 1.00 0.00 H new ATOM 0 HA MET A 110 111.086 13.821 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.059 13.397 3.561 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.074 12.437 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.668 10.777 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.454 11.775 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.687 10.324 5.410 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.958 10.720 5.264 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.539 9.098 4.822 1.00 0.00 H new ATOM 1713 N ALA A 111 109.384 11.933 2.181 1.00 0.00 N ATOM 1714 CA ALA A 111 108.161 11.130 2.106 1.00 0.00 C ATOM 1715 C ALA A 111 108.040 10.151 3.275 1.00 0.00 C ATOM 1716 O ALA A 111 106.932 9.806 3.691 1.00 0.00 O ATOM 1717 CB ALA A 111 108.110 10.376 0.785 1.00 0.00 C ATOM 0 H ALA A 111 109.959 11.898 1.339 1.00 0.00 H new ATOM 0 HA ALA A 111 107.317 11.817 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.197 9.782 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.121 11.087 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.975 9.717 0.708 1.00 0.00 H new ATOM 1723 N LEU A 112 109.180 9.722 3.809 1.00 0.00 N ATOM 1724 CA LEU A 112 109.211 8.774 4.921 1.00 0.00 C ATOM 1725 C LEU A 112 108.560 9.363 6.174 1.00 0.00 C ATOM 1726 O LEU A 112 107.964 8.639 6.977 1.00 0.00 O ATOM 1727 CB LEU A 112 110.654 8.368 5.225 1.00 0.00 C ATOM 1728 CG LEU A 112 110.815 7.276 6.286 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.180 5.978 5.813 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.286 7.065 6.615 1.00 0.00 C ATOM 0 H LEU A 112 110.102 10.018 3.487 1.00 0.00 H new ATOM 0 HA LEU A 112 108.641 7.893 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.120 8.026 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.202 9.252 5.551 1.00 0.00 H new ATOM 0 HG LEU A 112 110.304 7.597 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.303 5.212 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.118 6.139 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.663 5.651 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.382 6.285 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.821 6.764 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.710 7.994 6.996 1.00 0.00 H new ATOM 1742 N MET A 113 108.668 10.675 6.328 1.00 0.00 N ATOM 1743 CA MET A 113 108.100 11.366 7.481 1.00 0.00 C ATOM 1744 C MET A 113 106.674 11.818 7.200 1.00 0.00 C ATOM 1745 O MET A 113 105.915 12.121 8.122 1.00 0.00 O ATOM 1746 CB MET A 113 108.957 12.577 7.851 1.00 0.00 C ATOM 1747 CG MET A 113 110.194 12.228 8.658 1.00 0.00 C ATOM 1748 SD MET A 113 109.783 11.491 10.253 1.00 0.00 S ATOM 1749 CE MET A 113 108.811 12.808 10.986 1.00 0.00 C ATOM 0 H MET A 113 109.146 11.287 5.666 1.00 0.00 H new ATOM 0 HA MET A 113 108.085 10.665 8.316 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.262 13.087 6.937 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.349 13.280 8.421 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.813 11.535 8.089 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.787 13.128 8.818 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.086 12.922 12.035 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.004 13.741 10.456 1.00 0.00 H new ATOM 0 HE3 MET A 113 107.752 12.562 10.913 1.00 0.00 H new ATOM 1759 N LYS A 114 106.311 11.853 5.926 1.00 0.00 N ATOM 1760 CA LYS A 114 105.011 12.368 5.521 1.00 0.00 C ATOM 1761 C LYS A 114 103.968 11.256 5.457 1.00 0.00 C ATOM 1762 O LYS A 114 103.071 11.192 6.295 1.00 0.00 O ATOM 1763 CB LYS A 114 105.109 13.071 4.162 1.00 0.00 C ATOM 1764 CG LYS A 114 106.192 14.140 4.092 1.00 0.00 C ATOM 1765 CD LYS A 114 106.027 15.205 5.169 1.00 0.00 C ATOM 1766 CE LYS A 114 104.714 15.962 5.025 1.00 0.00 C ATOM 1767 NZ LYS A 114 104.607 17.070 6.007 1.00 0.00 N ATOM 0 H LYS A 114 106.897 11.531 5.156 1.00 0.00 H new ATOM 0 HA LYS A 114 104.695 13.090 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.300 12.324 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.147 13.528 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 114 107.170 13.670 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.169 14.613 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.069 14.736 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 114 106.859 15.908 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 114 104.634 16.363 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 114 103.880 15.273 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 103.700 17.562 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 104.658 16.685 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 105.388 17.741 5.860 1.00 0.00 H new ATOM 1781 N TYR A 115 104.102 10.371 4.476 1.00 0.00 N ATOM 1782 CA TYR A 115 103.086 9.356 4.221 1.00 0.00 C ATOM 1783 C TYR A 115 103.531 7.998 4.743 1.00 0.00 C ATOM 1784 O TYR A 115 104.596 7.500 4.374 1.00 0.00 O ATOM 1785 CB TYR A 115 102.794 9.264 2.721 1.00 0.00 C ATOM 1786 CG TYR A 115 102.474 10.595 2.078 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.303 11.277 2.388 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.349 11.174 1.168 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.014 12.497 1.804 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.068 12.393 0.583 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.899 13.049 0.902 1.00 0.00 C ATOM 1792 OH TYR A 115 101.618 14.264 0.319 1.00 0.00 O ATOM 0 H TYR A 115 104.903 10.335 3.845 1.00 0.00 H new ATOM 0 HA TYR A 115 102.177 9.648 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 115 103.657 8.827 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 115 101.956 8.585 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.609 10.848 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.265 10.662 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.100 13.015 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.761 12.830 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 115 102.345 14.510 -0.291 1.00 0.00 H new ATOM 1802 N SER A 116 102.709 7.394 5.588 1.00 0.00 N ATOM 1803 CA SER A 116 103.044 6.113 6.196 1.00 0.00 C ATOM 1804 C SER A 116 102.614 4.942 5.310 1.00 0.00 C ATOM 1805 O SER A 116 103.369 3.983 5.141 1.00 0.00 O ATOM 1806 CB SER A 116 102.407 6.003 7.581 1.00 0.00 C ATOM 1807 OG SER A 116 102.898 7.016 8.446 1.00 0.00 O ATOM 0 H SER A 116 101.804 7.770 5.869 1.00 0.00 H new ATOM 0 HA SER A 116 104.128 6.064 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.324 6.086 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 116 102.619 5.022 8.006 1.00 0.00 H new ATOM 0 HG SER A 116 102.476 6.928 9.326 1.00 0.00 H new ATOM 1813 N ARG A 117 101.415 5.026 4.728 1.00 0.00 N ATOM 1814 CA ARG A 117 100.908 3.959 3.858 1.00 0.00 C ATOM 1815 C ARG A 117 101.706 3.856 2.559 1.00 0.00 C ATOM 1816 O ARG A 117 101.547 2.900 1.797 1.00 0.00 O ATOM 1817 CB ARG A 117 99.426 4.159 3.525 1.00 0.00 C ATOM 1818 CG ARG A 117 98.476 3.745 4.637 1.00 0.00 C ATOM 1819 CD ARG A 117 97.036 3.737 4.149 1.00 0.00 C ATOM 1820 NE ARG A 117 96.093 3.337 5.194 1.00 0.00 N ATOM 1821 CZ ARG A 117 94.974 2.647 4.968 1.00 0.00 C ATOM 1822 NH1 ARG A 117 94.687 2.216 3.745 1.00 0.00 N ATOM 1823 NH2 ARG A 117 94.148 2.385 5.973 1.00 0.00 N ATOM 0 H ARG A 117 100.780 5.816 4.842 1.00 0.00 H new ATOM 0 HA ARG A 117 101.025 3.030 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.257 5.210 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.187 3.589 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.746 2.753 5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.575 4.431 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 117 96.773 4.731 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.946 3.056 3.303 1.00 0.00 H new ATOM 0 HE ARG A 117 96.305 3.603 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.324 2.412 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 117 93.830 1.689 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 117 94.370 2.711 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 117 93.291 1.858 5.805 1.00 0.00 H new ATOM 1837 N LEU A 118 102.549 4.842 2.295 1.00 0.00 N ATOM 1838 CA LEU A 118 103.386 4.814 1.107 1.00 0.00 C ATOM 1839 C LEU A 118 104.585 3.903 1.348 1.00 0.00 C ATOM 1840 O LEU A 118 105.581 4.311 1.950 1.00 0.00 O ATOM 1841 CB LEU A 118 103.843 6.227 0.729 1.00 0.00 C ATOM 1842 CG LEU A 118 104.583 6.339 -0.607 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.710 5.842 -1.749 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.014 7.776 -0.857 1.00 0.00 C ATOM 0 H LEU A 118 102.671 5.666 2.883 1.00 0.00 H new ATOM 0 HA LEU A 118 102.804 4.421 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.969 6.878 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.493 6.604 1.518 1.00 0.00 H new ATOM 0 HG LEU A 118 105.473 5.712 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 118 104.255 5.930 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.448 4.798 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.801 6.441 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.538 7.838 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.135 8.420 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.678 8.101 -0.056 1.00 0.00 H new ATOM 1856 N SER A 119 104.459 2.658 0.909 1.00 0.00 N ATOM 1857 CA SER A 119 105.490 1.654 1.116 1.00 0.00 C ATOM 1858 C SER A 119 106.685 1.880 0.195 1.00 0.00 C ATOM 1859 O SER A 119 107.832 1.814 0.633 1.00 0.00 O ATOM 1860 CB SER A 119 104.891 0.264 0.899 1.00 0.00 C ATOM 1861 OG SER A 119 104.018 0.260 -0.221 1.00 0.00 O ATOM 0 H SER A 119 103.642 2.318 0.402 1.00 0.00 H new ATOM 0 HA SER A 119 105.856 1.735 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 119 105.690 -0.461 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.347 -0.046 1.791 1.00 0.00 H new ATOM 0 HG SER A 119 103.647 -0.639 -0.343 1.00 0.00 H new ATOM 1867 N VAL A 120 106.411 2.146 -1.075 1.00 0.00 N ATOM 1868 CA VAL A 120 107.463 2.415 -2.046 1.00 0.00 C ATOM 1869 C VAL A 120 107.543 3.908 -2.332 1.00 0.00 C ATOM 1870 O VAL A 120 106.619 4.493 -2.900 1.00 0.00 O ATOM 1871 CB VAL A 120 107.236 1.644 -3.363 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.309 1.991 -4.383 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.210 0.144 -3.107 1.00 0.00 C ATOM 0 H VAL A 120 105.466 2.181 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 120 108.404 2.074 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 120 106.269 1.942 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.129 1.436 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.280 3.060 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.289 1.726 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 120 107.049 -0.383 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 120 108.161 -0.168 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.402 -0.093 -2.415 1.00 0.00 H new ATOM 1883 N GLN A 121 108.645 4.517 -1.931 1.00 0.00 N ATOM 1884 CA GLN A 121 108.811 5.956 -2.044 1.00 0.00 C ATOM 1885 C GLN A 121 109.954 6.300 -2.998 1.00 0.00 C ATOM 1886 O GLN A 121 110.927 5.554 -3.096 1.00 0.00 O ATOM 1887 CB GLN A 121 109.082 6.550 -0.661 1.00 0.00 C ATOM 1888 CG GLN A 121 108.018 6.192 0.361 1.00 0.00 C ATOM 1889 CD GLN A 121 108.282 6.789 1.724 1.00 0.00 C ATOM 1890 OE1 GLN A 121 109.428 6.980 2.126 1.00 0.00 O ATOM 1891 NE2 GLN A 121 107.217 7.094 2.447 1.00 0.00 N ATOM 0 H GLN A 121 109.444 4.033 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 121 107.893 6.383 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 121 110.051 6.200 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 121 109.146 7.635 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 121 107.048 6.535 0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.959 5.107 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 121 106.283 6.920 2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 121 107.330 7.503 3.374 1.00 0.00 H new ATOM 1900 N PRO A 122 109.836 7.418 -3.731 1.00 0.00 N ATOM 1901 CA PRO A 122 110.895 7.900 -4.608 1.00 0.00 C ATOM 1902 C PRO A 122 111.920 8.755 -3.860 1.00 0.00 C ATOM 1903 O PRO A 122 111.578 9.780 -3.259 1.00 0.00 O ATOM 1904 CB PRO A 122 110.135 8.734 -5.639 1.00 0.00 C ATOM 1905 CG PRO A 122 108.908 9.220 -4.934 1.00 0.00 C ATOM 1906 CD PRO A 122 108.651 8.289 -3.770 1.00 0.00 C ATOM 0 HA PRO A 122 111.477 7.088 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.741 9.568 -5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.875 8.136 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 122 109.048 10.242 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.055 9.230 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.533 8.841 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.738 7.712 -3.917 1.00 0.00 H new ATOM 1914 N VAL A 123 113.174 8.327 -3.896 1.00 0.00 N ATOM 1915 CA VAL A 123 114.243 9.014 -3.184 1.00 0.00 C ATOM 1916 C VAL A 123 115.173 9.733 -4.157 1.00 0.00 C ATOM 1917 O VAL A 123 115.592 9.167 -5.169 1.00 0.00 O ATOM 1918 CB VAL A 123 115.062 8.026 -2.321 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.213 8.730 -1.620 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.167 7.340 -1.302 1.00 0.00 C ATOM 0 H VAL A 123 113.477 7.502 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 123 113.776 9.750 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 123 115.481 7.271 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.770 8.009 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.876 9.173 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.820 9.513 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.760 6.648 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.717 8.089 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.381 6.790 -1.820 1.00 0.00 H new ATOM 1930 N THR A 124 115.479 10.984 -3.855 1.00 0.00 N ATOM 1931 CA THR A 124 116.401 11.763 -4.665 1.00 0.00 C ATOM 1932 C THR A 124 117.840 11.509 -4.227 1.00 0.00 C ATOM 1933 O THR A 124 118.078 10.966 -3.146 1.00 0.00 O ATOM 1934 CB THR A 124 116.089 13.274 -4.577 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.035 13.691 -3.204 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.768 13.598 -5.260 1.00 0.00 C ATOM 0 H THR A 124 115.100 11.484 -3.051 1.00 0.00 H new ATOM 0 HA THR A 124 116.278 11.447 -5.701 1.00 0.00 H new ATOM 0 HB THR A 124 116.887 13.812 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.173 13.432 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.572 14.667 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.822 13.313 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.963 13.046 -4.775 1.00 0.00 H new ATOM 1944 N ALA A 125 118.795 11.905 -5.060 1.00 0.00 N ATOM 1945 CA ALA A 125 120.210 11.704 -4.759 1.00 0.00 C ATOM 1946 C ALA A 125 120.606 12.416 -3.470 1.00 0.00 C ATOM 1947 O ALA A 125 121.445 11.925 -2.714 1.00 0.00 O ATOM 1948 CB ALA A 125 121.067 12.182 -5.920 1.00 0.00 C ATOM 0 H ALA A 125 118.616 12.368 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 125 120.379 10.637 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.120 12.027 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.810 11.619 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.887 13.243 -6.093 1.00 0.00 H new ATOM 1954 N GLU A 126 119.984 13.563 -3.218 1.00 0.00 N ATOM 1955 CA GLU A 126 120.236 14.324 -1.999 1.00 0.00 C ATOM 1956 C GLU A 126 119.847 13.517 -0.770 1.00 0.00 C ATOM 1957 O GLU A 126 120.648 13.350 0.150 1.00 0.00 O ATOM 1958 CB GLU A 126 119.468 15.645 -2.022 1.00 0.00 C ATOM 1959 CG GLU A 126 120.097 16.691 -2.924 1.00 0.00 C ATOM 1960 CD GLU A 126 121.468 17.112 -2.439 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.548 18.063 -1.636 1.00 0.00 O ATOM 1962 OE2 GLU A 126 122.466 16.489 -2.847 1.00 0.00 O ATOM 0 H GLU A 126 119.299 13.987 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 126 121.303 14.539 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.446 15.457 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.407 16.039 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.177 16.295 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.447 17.564 -2.974 1.00 0.00 H new ATOM 1969 N GLU A 127 118.619 13.011 -0.769 1.00 0.00 N ATOM 1970 CA GLU A 127 118.118 12.204 0.336 1.00 0.00 C ATOM 1971 C GLU A 127 118.923 10.916 0.454 1.00 0.00 C ATOM 1972 O GLU A 127 119.306 10.509 1.550 1.00 0.00 O ATOM 1973 CB GLU A 127 116.639 11.880 0.116 1.00 0.00 C ATOM 1974 CG GLU A 127 115.766 13.114 -0.028 1.00 0.00 C ATOM 1975 CD GLU A 127 114.407 12.802 -0.618 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.355 12.287 -1.756 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.384 13.109 0.027 1.00 0.00 O ATOM 0 H GLU A 127 117.949 13.147 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 127 118.224 12.769 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.538 11.266 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.277 11.284 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.635 13.578 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.274 13.842 -0.661 1.00 0.00 H new ATOM 1984 N TRP A 128 119.186 10.297 -0.692 1.00 0.00 N ATOM 1985 CA TRP A 128 119.948 9.058 -0.755 1.00 0.00 C ATOM 1986 C TRP A 128 121.312 9.204 -0.082 1.00 0.00 C ATOM 1987 O TRP A 128 121.613 8.501 0.885 1.00 0.00 O ATOM 1988 CB TRP A 128 120.129 8.618 -2.213 1.00 0.00 C ATOM 1989 CG TRP A 128 120.893 7.336 -2.357 1.00 0.00 C ATOM 1990 CD1 TRP A 128 122.232 7.194 -2.584 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.358 6.013 -2.279 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.563 5.863 -2.640 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.429 5.117 -2.457 1.00 0.00 C ATOM 1994 CE3 TRP A 128 119.076 5.499 -2.071 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 121.253 3.736 -2.433 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.903 4.132 -2.049 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.986 3.263 -2.226 1.00 0.00 C ATOM 0 H TRP A 128 118.877 10.641 -1.601 1.00 0.00 H new ATOM 0 HA TRP A 128 119.385 8.296 -0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 128 119.148 8.502 -2.674 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.648 9.405 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.929 8.010 -2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.500 5.490 -2.793 1.00 0.00 H new ATOM 0 HE3 TRP A 128 118.235 6.161 -1.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 122.086 3.063 -2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.915 3.724 -1.893 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.818 2.197 -2.199 1.00 0.00 H new ATOM 2008 N LYS A 129 122.131 10.126 -0.585 1.00 0.00 N ATOM 2009 CA LYS A 129 123.484 10.287 -0.067 1.00 0.00 C ATOM 2010 C LYS A 129 123.472 10.806 1.363 1.00 0.00 C ATOM 2011 O LYS A 129 124.383 10.522 2.141 1.00 0.00 O ATOM 2012 CB LYS A 129 124.317 11.231 -0.929 1.00 0.00 C ATOM 2013 CG LYS A 129 124.605 10.729 -2.335 1.00 0.00 C ATOM 2014 CD LYS A 129 125.923 11.295 -2.847 1.00 0.00 C ATOM 2015 CE LYS A 129 126.129 11.015 -4.325 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.441 12.018 -5.179 1.00 0.00 N ATOM 0 H LYS A 129 121.884 10.764 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 129 123.939 9.297 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.799 12.187 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.265 11.419 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.646 9.640 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.794 11.019 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.946 12.371 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 129 126.747 10.864 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 129 127.196 11.017 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 129 125.755 10.019 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.606 11.792 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 124.420 11.999 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.816 12.966 -4.972 1.00 0.00 H new ATOM 2030 N LEU A 130 122.456 11.579 1.714 1.00 0.00 N ATOM 2031 CA LEU A 130 122.364 12.095 3.063 1.00 0.00 C ATOM 2032 C LEU A 130 122.150 10.953 4.043 1.00 0.00 C ATOM 2033 O LEU A 130 122.907 10.807 4.996 1.00 0.00 O ATOM 2034 CB LEU A 130 121.236 13.114 3.206 1.00 0.00 C ATOM 2035 CG LEU A 130 121.225 13.847 4.546 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.438 14.753 4.666 1.00 0.00 C ATOM 2037 CD2 LEU A 130 119.949 14.643 4.712 1.00 0.00 C ATOM 0 H LEU A 130 121.697 11.857 1.092 1.00 0.00 H new ATOM 0 HA LEU A 130 123.303 12.602 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.319 13.847 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.281 12.604 3.075 1.00 0.00 H new ATOM 0 HG LEU A 130 121.268 13.104 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.414 15.268 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.347 14.155 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.425 15.487 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.963 15.157 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.871 15.377 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.093 13.970 4.673 1.00 0.00 H new ATOM 2049 N VAL A 131 121.142 10.124 3.781 1.00 0.00 N ATOM 2050 CA VAL A 131 120.809 9.020 4.675 1.00 0.00 C ATOM 2051 C VAL A 131 121.933 7.988 4.727 1.00 0.00 C ATOM 2052 O VAL A 131 122.226 7.442 5.791 1.00 0.00 O ATOM 2053 CB VAL A 131 119.488 8.328 4.271 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.183 7.152 5.194 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.340 9.324 4.292 1.00 0.00 C ATOM 0 H VAL A 131 120.543 10.196 2.958 1.00 0.00 H new ATOM 0 HA VAL A 131 120.680 9.453 5.667 1.00 0.00 H new ATOM 0 HB VAL A 131 119.603 7.945 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.248 6.682 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.992 6.423 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.091 7.509 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.417 8.821 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.233 9.734 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.546 10.132 3.590 1.00 0.00 H new ATOM 2065 N CYS A 132 122.577 7.728 3.591 1.00 0.00 N ATOM 2066 CA CYS A 132 123.666 6.762 3.561 1.00 0.00 C ATOM 2067 C CYS A 132 124.822 7.257 4.434 1.00 0.00 C ATOM 2068 O CYS A 132 125.271 6.556 5.340 1.00 0.00 O ATOM 2069 CB CYS A 132 124.129 6.482 2.119 1.00 0.00 C ATOM 2070 SG CYS A 132 125.112 7.784 1.341 1.00 0.00 S ATOM 0 H CYS A 132 122.366 8.166 2.694 1.00 0.00 H new ATOM 0 HA CYS A 132 123.305 5.817 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.713 5.562 2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 132 123.248 6.301 1.503 1.00 0.00 H new ATOM 0 HG CYS A 132 124.824 8.929 1.885 1.00 0.00 H new ATOM 2076 N LYS A 133 125.258 8.490 4.192 1.00 0.00 N ATOM 2077 CA LYS A 133 126.343 9.095 4.962 1.00 0.00 C ATOM 2078 C LYS A 133 125.946 9.234 6.428 1.00 0.00 C ATOM 2079 O LYS A 133 126.760 9.033 7.332 1.00 0.00 O ATOM 2080 CB LYS A 133 126.687 10.467 4.377 1.00 0.00 C ATOM 2081 CG LYS A 133 127.733 11.239 5.166 1.00 0.00 C ATOM 2082 CD LYS A 133 127.945 12.630 4.591 1.00 0.00 C ATOM 2083 CE LYS A 133 126.694 13.493 4.708 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.915 14.846 4.137 1.00 0.00 N ATOM 0 H LYS A 133 124.875 9.094 3.465 1.00 0.00 H new ATOM 0 HA LYS A 133 127.219 8.449 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.044 10.334 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.777 11.064 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.421 11.318 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.676 10.692 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.770 13.116 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.233 12.549 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.866 13.009 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.407 13.581 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.046 15.409 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.689 15.316 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.165 14.762 3.131 1.00 0.00 H new ATOM 2098 N MET A 134 124.684 9.569 6.645 1.00 0.00 N ATOM 2099 CA MET A 134 124.134 9.733 7.983 1.00 0.00 C ATOM 2100 C MET A 134 124.179 8.403 8.728 1.00 0.00 C ATOM 2101 O MET A 134 124.504 8.353 9.914 1.00 0.00 O ATOM 2102 CB MET A 134 122.696 10.249 7.864 1.00 0.00 C ATOM 2103 CG MET A 134 122.169 10.992 9.078 1.00 0.00 C ATOM 2104 SD MET A 134 121.586 9.907 10.387 1.00 0.00 S ATOM 2105 CE MET A 134 120.533 11.058 11.259 1.00 0.00 C ATOM 0 H MET A 134 124.010 9.735 5.897 1.00 0.00 H new ATOM 0 HA MET A 134 124.725 10.454 8.548 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.636 10.910 7.000 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.039 9.402 7.664 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.958 11.632 9.472 1.00 0.00 H new ATOM 0 HG3 MET A 134 121.353 11.645 8.768 1.00 0.00 H new ATOM 0 HE1 MET A 134 120.350 10.690 12.269 1.00 0.00 H new ATOM 0 HE2 MET A 134 121.022 12.031 11.310 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.585 11.156 10.731 1.00 0.00 H new ATOM 2115 N GLY A 135 123.902 7.322 8.000 1.00 0.00 N ATOM 2116 CA GLY A 135 123.911 5.993 8.583 1.00 0.00 C ATOM 2117 C GLY A 135 125.294 5.370 8.616 1.00 0.00 C ATOM 2118 O GLY A 135 125.442 4.152 8.497 1.00 0.00 O ATOM 0 H GLY A 135 123.670 7.347 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.517 6.045 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.241 5.348 8.014 1.00 0.00 H new ATOM 2122 N GLY A 136 126.310 6.211 8.745 1.00 0.00 N ATOM 2123 CA GLY A 136 127.661 5.729 8.952 1.00 0.00 C ATOM 2124 C GLY A 136 128.352 5.284 7.677 1.00 0.00 C ATOM 2125 O GLY A 136 129.455 4.740 7.726 1.00 0.00 O ATOM 0 H GLY A 136 126.222 7.227 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.251 6.518 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.636 4.894 9.652 1.00 0.00 H new ATOM 2129 N LEU A 137 127.726 5.515 6.532 1.00 0.00 N ATOM 2130 CA LEU A 137 128.321 5.108 5.266 1.00 0.00 C ATOM 2131 C LEU A 137 129.230 6.208 4.726 1.00 0.00 C ATOM 2132 O LEU A 137 128.859 6.957 3.822 1.00 0.00 O ATOM 2133 CB LEU A 137 127.245 4.758 4.236 1.00 0.00 C ATOM 2134 CG LEU A 137 127.736 3.976 3.019 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.106 2.557 3.420 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.676 3.968 1.928 1.00 0.00 C ATOM 0 H LEU A 137 126.819 5.975 6.452 1.00 0.00 H new ATOM 0 HA LEU A 137 128.918 4.215 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.467 4.177 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.782 5.682 3.891 1.00 0.00 H new ATOM 0 HG LEU A 137 128.626 4.466 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.454 2.010 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.898 2.585 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.231 2.057 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 137 127.043 3.407 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.768 3.500 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.457 4.992 1.626 1.00 0.00 H new