USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 902 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 58 THR OG1 : rot -39:sc= 0.514 USER MOD Set 1.2: B 8 GLN : amide:sc= -1.65! K(o=-0.91!,f=0.77) USER MOD Set 1.3: B 14 TYR OH : rot 75:sc= 0.222 USER MOD Set 1.4: B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0576 (180deg=-0.221) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0694 USER MOD Single : A 8 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -118:sc= 1.2 (180deg=-0.273) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 26 MET CE :methyl -150:sc= -5.41! (180deg=-8.28!) USER MOD Single : A 28 SER OG : rot 120:sc= -0.0168 USER MOD Single : A 29 SER OG : rot -159:sc= -0.966 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0509) USER MOD Single : A 37 SER OG : rot -130:sc= -0.0321 USER MOD Single : A 40 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.3) USER MOD Single : A 44 SER OG : rot -120:sc= -0.591 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 1.16 (180deg=-0.0941) USER MOD Single : A 48 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.6) USER MOD Single : A 49 SER OG : rot 12:sc= -0.262 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 59 THR OG1 : rot -72:sc= 0.308 USER MOD Single : B 1 MET CE :methyl -167:sc= -0.127 (180deg=-0.524) USER MOD Single : B 1 MET N :NH3+ 142:sc= 0.0632 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.036 USER MOD Single : B 3 LYS NZ :NH3+ -125:sc= -0.665 (180deg=-2.17) USER MOD Single : B 7 TYR OH : rot 180:sc= -1.02 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 159:sc= 0.00142 (180deg=-0.0556) USER MOD Single : B 21 SER OG : rot 180:sc=0.000229 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 25 THR OG1 : rot -150:sc= -0.267 USER MOD Single : B 26 MET CE :methyl -150:sc= -5.56! (180deg=-8.09!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -155:sc= -1.15 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -130:sc= -0.0133 USER MOD Single : B 40 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.44) USER MOD Single : B 44 SER OG : rot -120:sc= -0.525 USER MOD Single : B 46 LYS NZ :NH3+ -122:sc= 0.744 (180deg=-0.285) USER MOD Single : B 48 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.46) USER MOD Single : B 49 SER OG : rot 7:sc= -0.335 USER MOD Single : B 54 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : B 58 THR OG1 : rot -35:sc= 0.321 USER MOD Single : B 59 THR OG1 : rot -86:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.472 8.942 10.607 1.00 0.00 N ATOM 2 CA MET A 1 -12.019 8.635 9.270 1.00 0.00 C ATOM 3 C MET A 1 -11.490 7.269 8.813 1.00 0.00 C ATOM 4 O MET A 1 -12.247 6.308 8.683 1.00 0.00 O ATOM 5 CB MET A 1 -11.617 9.750 8.265 1.00 0.00 C ATOM 6 CG MET A 1 -12.295 9.663 6.884 1.00 0.00 C ATOM 7 SD MET A 1 -11.607 10.818 5.669 1.00 0.00 S ATOM 8 CE MET A 1 -11.771 12.402 6.491 1.00 0.00 C ATOM 0 H1 MET A 1 -11.827 9.867 10.923 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.770 8.208 11.281 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.433 8.967 10.560 1.00 0.00 H new ATOM 0 HA MET A 1 -13.107 8.596 9.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.852 10.718 8.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.537 9.718 8.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.197 8.646 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.361 9.860 6.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.551 13.203 5.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.789 12.515 6.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.072 12.453 7.326 1.00 0.00 H new ATOM 18 N TYR A 2 -10.171 7.198 8.586 1.00 0.00 N ATOM 19 CA TYR A 2 -9.471 5.952 8.226 1.00 0.00 C ATOM 20 C TYR A 2 -7.992 6.032 8.628 1.00 0.00 C ATOM 21 O TYR A 2 -7.519 7.078 9.088 1.00 0.00 O ATOM 22 CB TYR A 2 -9.652 5.594 6.720 1.00 0.00 C ATOM 23 CG TYR A 2 -9.562 6.748 5.703 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.400 7.500 5.535 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.647 7.054 4.877 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.331 8.506 4.593 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.577 8.041 3.932 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.418 8.766 3.792 1.00 0.00 C ATOM 29 OH TYR A 2 -9.332 9.741 2.828 1.00 0.00 O ATOM 0 H TYR A 2 -9.554 8.008 8.647 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.926 5.136 8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.897 4.853 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.624 5.115 6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.539 7.292 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.565 6.496 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.427 9.087 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.428 8.249 3.300 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.184 9.801 2.347 1.00 0.00 H new ATOM 39 N LYS A 3 -7.261 4.916 8.439 1.00 0.00 N ATOM 40 CA LYS A 3 -5.878 4.784 8.923 1.00 0.00 C ATOM 41 C LYS A 3 -5.127 3.636 8.226 1.00 0.00 C ATOM 42 O LYS A 3 -5.678 2.939 7.366 1.00 0.00 O ATOM 43 CB LYS A 3 -5.849 4.632 10.491 1.00 0.00 C ATOM 44 CG LYS A 3 -6.856 3.630 11.121 1.00 0.00 C ATOM 45 CD LYS A 3 -6.538 2.141 10.833 1.00 0.00 C ATOM 46 CE LYS A 3 -7.380 1.185 11.688 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.831 1.361 11.479 1.00 0.00 N ATOM 0 H LYS A 3 -7.610 4.091 7.952 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.350 5.701 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.843 4.331 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.028 5.614 10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.876 3.783 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.855 3.855 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.716 1.932 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.480 1.956 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.105 0.157 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.147 1.345 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.350 0.647 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.114 2.311 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.052 1.249 10.469 1.00 0.00 H new ATOM 61 N PHE A 4 -3.861 3.468 8.631 1.00 0.00 N ATOM 62 CA PHE A 4 -2.973 2.404 8.164 1.00 0.00 C ATOM 63 C PHE A 4 -2.925 1.258 9.184 1.00 0.00 C ATOM 64 O PHE A 4 -2.550 1.462 10.344 1.00 0.00 O ATOM 65 CB PHE A 4 -1.548 2.960 7.945 1.00 0.00 C ATOM 66 CG PHE A 4 -1.429 3.927 6.774 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.684 5.289 6.935 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.051 3.468 5.510 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.561 6.159 5.873 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.930 4.340 4.451 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.183 5.681 4.633 1.00 0.00 C ATOM 0 H PHE A 4 -3.418 4.087 9.310 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.361 2.022 7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.224 3.466 8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.865 2.126 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.981 5.666 7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.851 2.417 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.760 7.212 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.637 3.972 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.085 6.363 3.802 1.00 0.00 H new ATOM 81 N GLU A 5 -3.316 0.060 8.740 1.00 0.00 N ATOM 82 CA GLU A 5 -3.222 -1.166 9.540 1.00 0.00 C ATOM 83 C GLU A 5 -1.922 -1.909 9.222 1.00 0.00 C ATOM 84 O GLU A 5 -1.789 -2.510 8.152 1.00 0.00 O ATOM 85 CB GLU A 5 -4.453 -2.085 9.299 1.00 0.00 C ATOM 86 CG GLU A 5 -5.754 -1.548 9.940 1.00 0.00 C ATOM 87 CD GLU A 5 -6.904 -2.562 10.004 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.647 -3.749 10.303 1.00 0.00 O ATOM 89 OE2 GLU A 5 -8.076 -2.168 9.828 1.00 0.00 O ATOM 0 H GLU A 5 -3.709 -0.088 7.810 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.215 -0.887 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.606 -2.201 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.241 -3.076 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.531 -1.208 10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.087 -0.676 9.377 1.00 0.00 H new ATOM 96 N ILE A 6 -0.972 -1.878 10.172 1.00 0.00 N ATOM 97 CA ILE A 6 0.319 -2.560 10.044 1.00 0.00 C ATOM 98 C ILE A 6 0.239 -3.867 10.808 1.00 0.00 C ATOM 99 O ILE A 6 -0.051 -3.867 12.006 1.00 0.00 O ATOM 100 CB ILE A 6 1.500 -1.733 10.655 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.503 -0.279 10.105 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.862 -2.442 10.394 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.420 0.656 10.858 1.00 0.00 C ATOM 0 H ILE A 6 -1.082 -1.376 11.053 1.00 0.00 H new ATOM 0 HA ILE A 6 0.513 -2.702 8.981 1.00 0.00 H new ATOM 0 HB ILE A 6 1.355 -1.676 11.734 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.800 -0.298 9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.488 0.115 10.142 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.669 -1.851 10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.851 -3.431 10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.021 -2.541 9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.368 1.651 10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.111 0.706 11.902 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.444 0.286 10.800 1.00 0.00 H new ATOM 115 N TYR A 7 0.504 -4.962 10.132 1.00 0.00 N ATOM 116 CA TYR A 7 0.595 -6.263 10.777 1.00 0.00 C ATOM 117 C TYR A 7 1.471 -7.196 9.964 1.00 0.00 C ATOM 118 O TYR A 7 2.050 -6.797 8.959 1.00 0.00 O ATOM 119 CB TYR A 7 -0.811 -6.856 11.062 1.00 0.00 C ATOM 120 CG TYR A 7 -1.699 -7.104 9.838 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.440 -6.072 9.260 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.821 -8.379 9.282 1.00 0.00 C ATOM 123 CE1 TYR A 7 -3.257 -6.310 8.176 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.641 -8.617 8.206 1.00 0.00 C ATOM 125 CZ TYR A 7 -3.356 -7.584 7.659 1.00 0.00 C ATOM 126 OH TYR A 7 -4.185 -7.833 6.596 1.00 0.00 O ATOM 0 H TYR A 7 0.663 -4.982 9.125 1.00 0.00 H new ATOM 0 HA TYR A 7 1.072 -6.137 11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.684 -7.801 11.591 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.338 -6.181 11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.372 -5.074 9.668 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.258 -9.196 9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.818 -5.501 7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.722 -9.612 7.794 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.134 -8.782 6.357 1.00 0.00 H new ATOM 136 N GLN A 8 1.589 -8.438 10.425 1.00 0.00 N ATOM 137 CA GLN A 8 2.274 -9.492 9.671 1.00 0.00 C ATOM 138 C GLN A 8 1.236 -10.556 9.301 1.00 0.00 C ATOM 139 O GLN A 8 0.284 -10.807 10.052 1.00 0.00 O ATOM 140 CB GLN A 8 3.482 -10.101 10.450 1.00 0.00 C ATOM 141 CG GLN A 8 3.155 -11.266 11.402 1.00 0.00 C ATOM 142 CD GLN A 8 4.354 -11.751 12.227 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.195 -12.201 13.363 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.557 -11.716 11.647 1.00 0.00 N ATOM 0 H GLN A 8 1.217 -8.744 11.324 1.00 0.00 H new ATOM 0 HA GLN A 8 2.708 -9.064 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.219 -10.447 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.953 -9.306 11.029 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.361 -10.955 12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.767 -12.101 10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.658 -11.338 10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.374 -12.068 12.146 1.00 0.00 H new ATOM 153 N ASP A 9 1.417 -11.153 8.132 1.00 0.00 N ATOM 154 CA ASP A 9 0.562 -12.223 7.621 1.00 0.00 C ATOM 155 C ASP A 9 0.966 -13.536 8.305 1.00 0.00 C ATOM 156 O ASP A 9 2.063 -13.593 8.864 1.00 0.00 O ATOM 157 CB ASP A 9 0.733 -12.292 6.079 1.00 0.00 C ATOM 158 CG ASP A 9 -0.176 -13.318 5.383 1.00 0.00 C ATOM 159 OD1 ASP A 9 0.204 -14.507 5.288 1.00 0.00 O ATOM 160 OD2 ASP A 9 -1.276 -12.947 4.939 1.00 0.00 O ATOM 0 H ASP A 9 2.176 -10.905 7.497 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.490 -12.038 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.534 -11.306 5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.772 -12.532 5.851 1.00 0.00 H new ATOM 165 N LYS A 10 0.076 -14.559 8.248 1.00 0.00 N ATOM 166 CA LYS A 10 0.303 -15.919 8.807 1.00 0.00 C ATOM 167 C LYS A 10 1.673 -16.494 8.378 1.00 0.00 C ATOM 168 O LYS A 10 2.334 -17.188 9.149 1.00 0.00 O ATOM 169 CB LYS A 10 -0.892 -16.851 8.407 1.00 0.00 C ATOM 170 CG LYS A 10 -0.896 -18.290 9.010 1.00 0.00 C ATOM 171 CD LYS A 10 -0.034 -19.302 8.211 1.00 0.00 C ATOM 172 CE LYS A 10 -0.005 -20.702 8.839 1.00 0.00 C ATOM 173 NZ LYS A 10 0.872 -21.635 8.083 1.00 0.00 N ATOM 0 H LYS A 10 -0.837 -14.461 7.804 1.00 0.00 H new ATOM 0 HA LYS A 10 0.338 -15.856 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.819 -16.358 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.906 -16.938 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.531 -18.246 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.923 -18.654 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.420 -19.375 7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.985 -18.923 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.345 -20.630 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.017 -21.104 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.862 -22.569 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.524 -21.725 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.844 -21.265 8.071 1.00 0.00 H new ATOM 187 N ALA A 11 2.088 -16.168 7.140 1.00 0.00 N ATOM 188 CA ALA A 11 3.397 -16.571 6.571 1.00 0.00 C ATOM 189 C ALA A 11 4.590 -15.758 7.157 1.00 0.00 C ATOM 190 O ALA A 11 5.735 -15.912 6.714 1.00 0.00 O ATOM 191 CB ALA A 11 3.340 -16.438 5.044 1.00 0.00 C ATOM 0 H ALA A 11 1.523 -15.613 6.497 1.00 0.00 H new ATOM 0 HA ALA A 11 3.579 -17.609 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.299 -16.732 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.554 -17.084 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.126 -15.403 4.777 1.00 0.00 H new ATOM 197 N GLY A 12 4.306 -14.933 8.177 1.00 0.00 N ATOM 198 CA GLY A 12 5.274 -14.034 8.802 1.00 0.00 C ATOM 199 C GLY A 12 5.552 -12.786 7.976 1.00 0.00 C ATOM 200 O GLY A 12 6.556 -12.098 8.212 1.00 0.00 O ATOM 0 H GLY A 12 3.377 -14.875 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.904 -13.738 9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.209 -14.571 8.963 1.00 0.00 H new ATOM 204 N GLU A 13 4.637 -12.459 7.041 1.00 0.00 N ATOM 205 CA GLU A 13 4.890 -11.420 6.010 1.00 0.00 C ATOM 206 C GLU A 13 4.364 -10.052 6.461 1.00 0.00 C ATOM 207 O GLU A 13 3.163 -9.774 6.321 1.00 0.00 O ATOM 208 CB GLU A 13 4.226 -11.796 4.661 1.00 0.00 C ATOM 209 CG GLU A 13 4.677 -13.127 4.046 1.00 0.00 C ATOM 210 CD GLU A 13 3.998 -13.399 2.694 1.00 0.00 C ATOM 211 OE1 GLU A 13 2.822 -13.811 2.689 1.00 0.00 O ATOM 212 OE2 GLU A 13 4.628 -13.184 1.635 1.00 0.00 O ATOM 0 H GLU A 13 3.717 -12.895 6.975 1.00 0.00 H new ATOM 0 HA GLU A 13 5.970 -11.363 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.146 -11.831 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.426 -10.999 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.759 -13.116 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.449 -13.940 4.735 1.00 0.00 H new ATOM 219 N TYR A 14 5.251 -9.226 7.042 1.00 0.00 N ATOM 220 CA TYR A 14 4.921 -7.833 7.398 1.00 0.00 C ATOM 221 C TYR A 14 4.389 -7.056 6.179 1.00 0.00 C ATOM 222 O TYR A 14 4.941 -7.136 5.085 1.00 0.00 O ATOM 223 CB TYR A 14 6.127 -7.107 8.044 1.00 0.00 C ATOM 224 CG TYR A 14 6.511 -7.673 9.416 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.911 -7.189 10.584 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.451 -8.696 9.544 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.241 -7.705 11.822 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.776 -9.214 10.779 1.00 0.00 C ATOM 229 CZ TYR A 14 7.174 -8.714 11.912 1.00 0.00 C ATOM 230 OH TYR A 14 7.507 -9.233 13.138 1.00 0.00 O ATOM 0 H TYR A 14 6.205 -9.499 7.276 1.00 0.00 H new ATOM 0 HA TYR A 14 4.126 -7.868 8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.985 -7.178 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.891 -6.048 8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.178 -6.399 10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.932 -9.089 8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.770 -7.319 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.501 -10.010 10.858 1.00 0.00 H new ATOM 0 HH TYR A 14 8.179 -9.937 13.024 1.00 0.00 H new ATOM 240 N ARG A 15 3.292 -6.338 6.424 1.00 0.00 N ATOM 241 CA ARG A 15 2.487 -5.628 5.427 1.00 0.00 C ATOM 242 C ARG A 15 1.726 -4.499 6.121 1.00 0.00 C ATOM 243 O ARG A 15 1.213 -4.688 7.229 1.00 0.00 O ATOM 244 CB ARG A 15 1.486 -6.608 4.760 1.00 0.00 C ATOM 245 CG ARG A 15 0.696 -7.495 5.754 1.00 0.00 C ATOM 246 CD ARG A 15 -0.119 -8.569 5.039 1.00 0.00 C ATOM 247 NE ARG A 15 0.728 -9.381 4.129 1.00 0.00 N ATOM 248 CZ ARG A 15 0.474 -9.623 2.826 1.00 0.00 C ATOM 249 NH1 ARG A 15 -0.656 -9.208 2.257 1.00 0.00 N ATOM 250 NH2 ARG A 15 1.354 -10.297 2.100 1.00 0.00 N ATOM 0 H ARG A 15 2.922 -6.230 7.368 1.00 0.00 H new ATOM 0 HA ARG A 15 3.137 -5.215 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.778 -6.033 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.032 -7.253 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.390 -7.969 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.029 -6.869 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.591 -9.220 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.921 -8.099 4.469 1.00 0.00 H new ATOM 0 HE ARG A 15 1.575 -9.791 4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.347 -8.698 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.831 -9.400 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.219 -10.630 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.167 -10.483 1.115 1.00 0.00 H new ATOM 264 N PHE A 16 1.660 -3.322 5.491 1.00 0.00 N ATOM 265 CA PHE A 16 0.773 -2.244 5.953 1.00 0.00 C ATOM 266 C PHE A 16 -0.296 -1.994 4.892 1.00 0.00 C ATOM 267 O PHE A 16 -0.020 -2.018 3.688 1.00 0.00 O ATOM 268 CB PHE A 16 1.555 -0.958 6.327 1.00 0.00 C ATOM 269 CG PHE A 16 2.325 -0.260 5.205 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.656 -0.579 4.941 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.727 0.752 4.448 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.361 0.086 3.962 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.432 1.410 3.467 1.00 0.00 C ATOM 274 CZ PHE A 16 3.748 1.081 3.227 1.00 0.00 C ATOM 0 H PHE A 16 2.207 -3.090 4.662 1.00 0.00 H new ATOM 0 HA PHE A 16 0.284 -2.556 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.848 -0.243 6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.263 -1.210 7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.141 -1.358 5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.698 1.021 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.392 -0.171 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.954 2.184 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.302 1.603 2.461 1.00 0.00 H new ATOM 284 N ARG A 17 -1.523 -1.790 5.354 1.00 0.00 N ATOM 285 CA ARG A 17 -2.696 -1.605 4.501 1.00 0.00 C ATOM 286 C ARG A 17 -3.274 -0.224 4.759 1.00 0.00 C ATOM 287 O ARG A 17 -2.974 0.384 5.787 1.00 0.00 O ATOM 288 CB ARG A 17 -3.736 -2.715 4.813 1.00 0.00 C ATOM 289 CG ARG A 17 -3.157 -4.137 4.635 1.00 0.00 C ATOM 290 CD ARG A 17 -4.169 -5.256 4.873 1.00 0.00 C ATOM 291 NE ARG A 17 -5.269 -5.281 3.894 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.408 -5.986 4.045 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.648 -6.661 5.168 1.00 0.00 N ATOM 294 NH2 ARG A 17 -7.314 -5.992 3.079 1.00 0.00 N ATOM 0 H ARG A 17 -1.738 -1.747 6.350 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.422 -1.680 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.092 -2.597 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.599 -2.593 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.758 -4.231 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.321 -4.266 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.650 -6.214 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.588 -5.148 5.873 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.162 -4.727 3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.966 -6.648 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.514 -7.191 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.149 -5.464 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.176 -6.525 3.192 1.00 0.00 H new ATOM 308 N PHE A 18 -4.099 0.267 3.836 1.00 0.00 N ATOM 309 CA PHE A 18 -4.777 1.563 4.006 1.00 0.00 C ATOM 310 C PHE A 18 -6.283 1.354 3.867 1.00 0.00 C ATOM 311 O PHE A 18 -6.749 0.687 2.931 1.00 0.00 O ATOM 312 CB PHE A 18 -4.250 2.599 2.992 1.00 0.00 C ATOM 313 CG PHE A 18 -4.830 3.999 3.113 1.00 0.00 C ATOM 314 CD1 PHE A 18 -5.025 4.590 4.356 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.150 4.731 1.976 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.527 5.857 4.453 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.650 6.003 2.075 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.842 6.565 3.311 1.00 0.00 C ATOM 0 H PHE A 18 -4.318 -0.209 2.961 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.565 1.960 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.167 2.665 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.450 2.229 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.777 4.043 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.003 4.291 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.677 6.305 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.892 6.561 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.241 7.565 3.391 1.00 0.00 H new ATOM 328 N LYS A 19 -7.020 1.925 4.822 1.00 0.00 N ATOM 329 CA LYS A 19 -8.458 1.717 4.978 1.00 0.00 C ATOM 330 C LYS A 19 -9.276 2.873 4.375 1.00 0.00 C ATOM 331 O LYS A 19 -8.729 3.847 3.843 1.00 0.00 O ATOM 332 CB LYS A 19 -8.784 1.529 6.494 1.00 0.00 C ATOM 333 CG LYS A 19 -8.060 0.323 7.142 1.00 0.00 C ATOM 334 CD LYS A 19 -8.414 -1.009 6.427 1.00 0.00 C ATOM 335 CE LYS A 19 -9.886 -1.440 6.627 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.136 -2.008 7.971 1.00 0.00 N ATOM 0 H LYS A 19 -6.626 2.556 5.520 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.741 0.819 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.510 2.437 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.860 1.402 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.982 0.482 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.335 0.256 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.215 -0.904 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.759 -1.797 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.537 -0.579 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.151 -2.178 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.446 -2.996 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.261 -1.971 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.877 -1.456 8.449 1.00 0.00 H new ATOM 350 N ALA A 20 -10.602 2.737 4.503 1.00 0.00 N ATOM 351 CA ALA A 20 -11.595 3.720 4.066 1.00 0.00 C ATOM 352 C ALA A 20 -12.617 3.881 5.190 1.00 0.00 C ATOM 353 O ALA A 20 -12.739 2.983 6.027 1.00 0.00 O ATOM 354 CB ALA A 20 -12.262 3.279 2.755 1.00 0.00 C ATOM 0 H ALA A 20 -11.025 1.912 4.928 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.117 4.679 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.996 4.026 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.505 3.177 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.760 2.321 2.904 1.00 0.00 H new ATOM 360 N SER A 21 -13.322 5.029 5.215 1.00 0.00 N ATOM 361 CA SER A 21 -14.313 5.383 6.266 1.00 0.00 C ATOM 362 C SER A 21 -15.378 4.277 6.527 1.00 0.00 C ATOM 363 O SER A 21 -15.913 4.162 7.640 1.00 0.00 O ATOM 364 CB SER A 21 -14.999 6.714 5.882 1.00 0.00 C ATOM 365 OG SER A 21 -15.555 6.645 4.577 1.00 0.00 O ATOM 0 H SER A 21 -13.223 5.749 4.500 1.00 0.00 H new ATOM 0 HA SER A 21 -13.765 5.487 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.783 6.944 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.275 7.527 5.929 1.00 0.00 H new ATOM 0 HG SER A 21 -15.984 7.498 4.359 1.00 0.00 H new ATOM 371 N ASN A 22 -15.648 3.459 5.494 1.00 0.00 N ATOM 372 CA ASN A 22 -16.647 2.364 5.542 1.00 0.00 C ATOM 373 C ASN A 22 -16.012 1.021 5.986 1.00 0.00 C ATOM 374 O ASN A 22 -16.642 -0.036 5.866 1.00 0.00 O ATOM 375 CB ASN A 22 -17.307 2.216 4.145 1.00 0.00 C ATOM 376 CG ASN A 22 -17.992 3.506 3.670 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.169 3.738 3.941 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.262 4.354 2.959 1.00 0.00 N ATOM 0 H ASN A 22 -15.177 3.536 4.592 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.403 2.620 6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.548 1.925 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.042 1.411 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.674 5.224 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.288 4.136 2.749 1.00 0.00 H new ATOM 385 N GLY A 23 -14.772 1.084 6.515 1.00 0.00 N ATOM 386 CA GLY A 23 -14.003 -0.106 6.919 1.00 0.00 C ATOM 387 C GLY A 23 -13.481 -0.922 5.738 1.00 0.00 C ATOM 388 O GLY A 23 -13.086 -2.080 5.904 1.00 0.00 O ATOM 0 H GLY A 23 -14.278 1.962 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.160 0.207 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.633 -0.742 7.540 1.00 0.00 H new ATOM 392 N GLU A 24 -13.479 -0.307 4.550 1.00 0.00 N ATOM 393 CA GLU A 24 -12.979 -0.930 3.310 1.00 0.00 C ATOM 394 C GLU A 24 -11.456 -0.807 3.243 1.00 0.00 C ATOM 395 O GLU A 24 -10.892 0.074 3.873 1.00 0.00 O ATOM 396 CB GLU A 24 -13.625 -0.242 2.085 1.00 0.00 C ATOM 397 CG GLU A 24 -15.155 -0.396 2.012 1.00 0.00 C ATOM 398 CD GLU A 24 -15.608 -1.853 1.817 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.602 -2.337 0.664 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.952 -2.529 2.809 1.00 0.00 O ATOM 0 H GLU A 24 -13.826 0.643 4.417 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.246 -1.987 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.378 0.819 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.185 -0.654 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.597 -0.004 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.536 0.209 1.190 1.00 0.00 H new ATOM 407 N THR A 25 -10.795 -1.706 2.499 1.00 0.00 N ATOM 408 CA THR A 25 -9.351 -1.594 2.215 1.00 0.00 C ATOM 409 C THR A 25 -9.153 -1.449 0.701 1.00 0.00 C ATOM 410 O THR A 25 -9.930 -1.998 -0.095 1.00 0.00 O ATOM 411 CB THR A 25 -8.545 -2.826 2.747 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.969 -3.152 4.077 1.00 0.00 O ATOM 413 CG2 THR A 25 -7.025 -2.571 2.756 1.00 0.00 C ATOM 0 H THR A 25 -11.238 -2.524 2.080 1.00 0.00 H new ATOM 0 HA THR A 25 -8.969 -0.716 2.735 1.00 0.00 H new ATOM 0 HB THR A 25 -8.746 -3.655 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.461 -3.925 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.510 -3.455 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.686 -2.358 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.803 -1.719 3.399 1.00 0.00 H new ATOM 421 N MET A 26 -8.110 -0.710 0.318 1.00 0.00 N ATOM 422 CA MET A 26 -7.797 -0.403 -1.083 1.00 0.00 C ATOM 423 C MET A 26 -6.369 -0.839 -1.459 1.00 0.00 C ATOM 424 O MET A 26 -6.042 -0.866 -2.646 1.00 0.00 O ATOM 425 CB MET A 26 -8.062 1.102 -1.364 1.00 0.00 C ATOM 426 CG MET A 26 -7.656 2.051 -0.227 1.00 0.00 C ATOM 427 SD MET A 26 -5.910 1.963 0.173 1.00 0.00 S ATOM 428 CE MET A 26 -5.221 2.618 -1.325 1.00 0.00 C ATOM 0 H MET A 26 -7.449 -0.302 0.979 1.00 0.00 H new ATOM 0 HA MET A 26 -8.458 -0.983 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.524 1.389 -2.267 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.124 1.237 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.907 3.074 -0.508 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.239 1.813 0.663 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.239 2.177 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.878 2.380 -2.162 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.122 3.700 -1.237 1.00 0.00 H new ATOM 438 N PHE A 27 -5.513 -1.177 -0.461 1.00 0.00 N ATOM 439 CA PHE A 27 -4.258 -1.915 -0.736 1.00 0.00 C ATOM 440 C PHE A 27 -3.706 -2.619 0.502 1.00 0.00 C ATOM 441 O PHE A 27 -4.002 -2.259 1.644 1.00 0.00 O ATOM 442 CB PHE A 27 -3.127 -1.027 -1.367 1.00 0.00 C ATOM 443 CG PHE A 27 -2.216 -0.221 -0.401 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.611 1.003 0.085 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.960 -0.688 -0.018 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.814 1.748 0.920 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.150 0.054 0.826 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.579 1.280 1.294 1.00 0.00 C ATOM 0 H PHE A 27 -5.666 -0.954 0.523 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.549 -2.663 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.488 -1.675 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.598 -0.321 -2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.578 1.391 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.613 -1.643 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.160 2.704 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.818 -0.327 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.051 1.865 1.948 1.00 0.00 H new ATOM 458 N SER A 28 -2.844 -3.592 0.196 1.00 0.00 N ATOM 459 CA SER A 28 -1.945 -4.251 1.127 1.00 0.00 C ATOM 460 C SER A 28 -0.542 -4.103 0.540 1.00 0.00 C ATOM 461 O SER A 28 -0.374 -4.169 -0.685 1.00 0.00 O ATOM 462 CB SER A 28 -2.333 -5.732 1.319 1.00 0.00 C ATOM 463 OG SER A 28 -1.414 -6.405 2.166 1.00 0.00 O ATOM 0 H SER A 28 -2.755 -3.953 -0.754 1.00 0.00 H new ATOM 0 HA SER A 28 -1.997 -3.801 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.335 -5.795 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.367 -6.229 0.349 1.00 0.00 H new ATOM 0 HG SER A 28 -1.886 -6.751 2.952 1.00 0.00 H new ATOM 469 N SER A 29 0.454 -3.846 1.387 1.00 0.00 N ATOM 470 CA SER A 29 1.844 -3.654 0.945 1.00 0.00 C ATOM 471 C SER A 29 2.624 -4.957 1.144 1.00 0.00 C ATOM 472 O SER A 29 2.074 -5.954 1.630 1.00 0.00 O ATOM 473 CB SER A 29 2.485 -2.490 1.741 1.00 0.00 C ATOM 474 OG SER A 29 3.837 -2.273 1.376 1.00 0.00 O ATOM 0 H SER A 29 0.326 -3.764 2.396 1.00 0.00 H new ATOM 0 HA SER A 29 1.868 -3.396 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.914 -1.578 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.429 -2.707 2.808 1.00 0.00 H new ATOM 0 HG SER A 29 4.296 -1.789 2.094 1.00 0.00 H new ATOM 480 N GLU A 30 3.896 -4.957 0.739 1.00 0.00 N ATOM 481 CA GLU A 30 4.840 -6.037 1.073 1.00 0.00 C ATOM 482 C GLU A 30 5.617 -5.685 2.366 1.00 0.00 C ATOM 483 O GLU A 30 6.522 -6.418 2.766 1.00 0.00 O ATOM 484 CB GLU A 30 5.776 -6.358 -0.138 1.00 0.00 C ATOM 485 CG GLU A 30 6.347 -5.156 -0.900 1.00 0.00 C ATOM 486 CD GLU A 30 7.226 -4.232 -0.055 1.00 0.00 C ATOM 487 OE1 GLU A 30 8.361 -4.636 0.276 1.00 0.00 O ATOM 488 OE2 GLU A 30 6.782 -3.115 0.298 1.00 0.00 O ATOM 0 H GLU A 30 4.304 -4.213 0.172 1.00 0.00 H new ATOM 0 HA GLU A 30 4.284 -6.952 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.610 -6.959 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.221 -6.977 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.931 -5.521 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.521 -4.576 -1.311 1.00 0.00 H new ATOM 495 N GLY A 31 5.257 -4.536 2.991 1.00 0.00 N ATOM 496 CA GLY A 31 5.735 -4.147 4.333 1.00 0.00 C ATOM 497 C GLY A 31 7.070 -3.423 4.356 1.00 0.00 C ATOM 498 O GLY A 31 7.464 -2.905 5.416 1.00 0.00 O ATOM 0 H GLY A 31 4.624 -3.854 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.984 -3.508 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.815 -5.044 4.947 1.00 0.00 H new ATOM 502 N TYR A 32 7.778 -3.462 3.206 1.00 0.00 N ATOM 503 CA TYR A 32 9.070 -2.789 2.962 1.00 0.00 C ATOM 504 C TYR A 32 10.231 -3.627 3.532 1.00 0.00 C ATOM 505 O TYR A 32 11.141 -4.021 2.791 1.00 0.00 O ATOM 506 CB TYR A 32 9.091 -1.320 3.486 1.00 0.00 C ATOM 507 CG TYR A 32 10.332 -0.494 3.104 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.835 -0.524 1.803 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.971 0.342 4.026 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.918 0.240 1.434 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.064 1.107 3.656 1.00 0.00 C ATOM 512 CZ TYR A 32 12.529 1.049 2.357 1.00 0.00 C ATOM 513 OH TYR A 32 13.603 1.817 1.974 1.00 0.00 O ATOM 0 H TYR A 32 7.452 -3.983 2.392 1.00 0.00 H new ATOM 0 HA TYR A 32 9.204 -2.718 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.206 -0.807 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.011 -1.340 4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.364 -1.161 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.606 0.391 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.286 0.203 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.550 1.745 4.379 1.00 0.00 H new ATOM 0 HH TYR A 32 13.924 2.336 2.741 1.00 0.00 H new ATOM 523 N LYS A 33 10.174 -3.917 4.843 1.00 0.00 N ATOM 524 CA LYS A 33 11.210 -4.697 5.538 1.00 0.00 C ATOM 525 C LYS A 33 10.610 -5.379 6.784 1.00 0.00 C ATOM 526 O LYS A 33 10.665 -6.600 6.927 1.00 0.00 O ATOM 527 CB LYS A 33 12.397 -3.765 5.924 1.00 0.00 C ATOM 528 CG LYS A 33 13.653 -4.480 6.467 1.00 0.00 C ATOM 529 CD LYS A 33 14.380 -5.315 5.387 1.00 0.00 C ATOM 530 CE LYS A 33 15.617 -6.039 5.944 1.00 0.00 C ATOM 531 NZ LYS A 33 16.346 -6.788 4.896 1.00 0.00 N ATOM 0 H LYS A 33 9.410 -3.618 5.449 1.00 0.00 H new ATOM 0 HA LYS A 33 11.586 -5.476 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.681 -3.185 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.050 -3.056 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.342 -3.738 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.366 -5.132 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.689 -6.048 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.682 -4.662 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.287 -5.311 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.309 -6.726 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.172 -7.260 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.716 -7.502 4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.663 -6.130 4.156 1.00 0.00 H new ATOM 545 N ALA A 34 10.015 -4.570 7.669 1.00 0.00 N ATOM 546 CA ALA A 34 9.397 -5.032 8.934 1.00 0.00 C ATOM 547 C ALA A 34 8.373 -3.993 9.401 1.00 0.00 C ATOM 548 O ALA A 34 8.094 -3.050 8.651 1.00 0.00 O ATOM 549 CB ALA A 34 10.475 -5.285 9.996 1.00 0.00 C ATOM 0 H ALA A 34 9.944 -3.562 7.532 1.00 0.00 H new ATOM 0 HA ALA A 34 8.880 -5.977 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.004 -5.624 10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.165 -6.049 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.023 -4.362 10.186 1.00 0.00 H new ATOM 555 N LYS A 35 7.800 -4.135 10.627 1.00 0.00 N ATOM 556 CA LYS A 35 6.716 -3.239 11.081 1.00 0.00 C ATOM 557 C LYS A 35 7.234 -1.823 11.391 1.00 0.00 C ATOM 558 O LYS A 35 6.590 -0.853 11.030 1.00 0.00 O ATOM 559 CB LYS A 35 5.942 -3.823 12.283 1.00 0.00 C ATOM 560 CG LYS A 35 6.757 -4.023 13.584 1.00 0.00 C ATOM 561 CD LYS A 35 5.853 -4.428 14.764 1.00 0.00 C ATOM 562 CE LYS A 35 6.605 -4.645 16.083 1.00 0.00 C ATOM 563 NZ LYS A 35 7.179 -3.389 16.622 1.00 0.00 N ATOM 0 H LYS A 35 8.069 -4.850 11.303 1.00 0.00 H new ATOM 0 HA LYS A 35 6.014 -3.159 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.101 -3.165 12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.525 -4.786 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.514 -4.791 13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.284 -3.101 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.098 -3.656 14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.324 -5.345 14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.925 -5.075 16.819 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.405 -5.369 15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.603 -3.573 17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.910 -3.035 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.427 -2.677 16.718 1.00 0.00 H new ATOM 577 N ALA A 36 8.397 -1.716 12.061 1.00 0.00 N ATOM 578 CA ALA A 36 9.043 -0.412 12.334 1.00 0.00 C ATOM 579 C ALA A 36 9.372 0.315 11.019 1.00 0.00 C ATOM 580 O ALA A 36 9.125 1.516 10.873 1.00 0.00 O ATOM 581 CB ALA A 36 10.307 -0.602 13.183 1.00 0.00 C ATOM 0 H ALA A 36 8.912 -2.518 12.425 1.00 0.00 H new ATOM 0 HA ALA A 36 8.345 0.206 12.898 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.767 0.368 13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.042 -1.069 14.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.012 -1.240 12.649 1.00 0.00 H new ATOM 587 N SER A 37 9.897 -0.461 10.055 1.00 0.00 N ATOM 588 CA SER A 37 10.191 0.012 8.692 1.00 0.00 C ATOM 589 C SER A 37 8.897 0.369 7.938 1.00 0.00 C ATOM 590 O SER A 37 8.922 1.167 6.996 1.00 0.00 O ATOM 591 CB SER A 37 10.958 -1.077 7.929 1.00 0.00 C ATOM 592 OG SER A 37 12.028 -1.584 8.708 1.00 0.00 O ATOM 0 H SER A 37 10.131 -1.443 10.202 1.00 0.00 H new ATOM 0 HA SER A 37 10.801 0.913 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.279 -1.888 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.345 -0.668 6.995 1.00 0.00 H new ATOM 0 HG SER A 37 12.851 -1.580 8.176 1.00 0.00 H new ATOM 598 N ALA A 38 7.775 -0.243 8.367 1.00 0.00 N ATOM 599 CA ALA A 38 6.453 0.025 7.809 1.00 0.00 C ATOM 600 C ALA A 38 5.958 1.400 8.263 1.00 0.00 C ATOM 601 O ALA A 38 5.385 2.107 7.455 1.00 0.00 O ATOM 602 CB ALA A 38 5.454 -1.086 8.164 1.00 0.00 C ATOM 0 H ALA A 38 7.770 -0.938 9.113 1.00 0.00 H new ATOM 0 HA ALA A 38 6.535 0.035 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.481 -0.852 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.809 -2.036 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.361 -1.159 9.248 1.00 0.00 H new ATOM 608 N ILE A 39 6.181 1.785 9.557 1.00 0.00 N ATOM 609 CA ILE A 39 5.925 3.174 10.026 1.00 0.00 C ATOM 610 C ILE A 39 6.738 4.169 9.183 1.00 0.00 C ATOM 611 O ILE A 39 6.182 5.144 8.696 1.00 0.00 O ATOM 612 CB ILE A 39 6.261 3.419 11.566 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.213 2.763 12.524 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.385 4.936 11.901 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.354 1.279 12.734 1.00 0.00 C ATOM 0 H ILE A 39 6.533 1.158 10.281 1.00 0.00 H new ATOM 0 HA ILE A 39 4.853 3.330 9.906 1.00 0.00 H new ATOM 0 HB ILE A 39 7.225 2.937 11.732 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.278 3.256 13.494 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.216 2.962 12.131 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.614 5.057 12.960 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.184 5.376 11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.444 5.437 11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.576 0.932 13.415 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.255 0.765 11.778 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.333 1.063 13.162 1.00 0.00 H new ATOM 627 N HIS A 40 8.058 3.899 9.027 1.00 0.00 N ATOM 628 CA HIS A 40 8.986 4.780 8.276 1.00 0.00 C ATOM 629 C HIS A 40 8.509 4.983 6.826 1.00 0.00 C ATOM 630 O HIS A 40 8.558 6.107 6.273 1.00 0.00 O ATOM 631 CB HIS A 40 10.436 4.226 8.312 1.00 0.00 C ATOM 632 CG HIS A 40 11.118 4.340 9.656 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.460 5.547 10.230 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.531 3.394 10.527 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.045 5.333 11.390 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.099 4.037 11.593 1.00 0.00 N ATOM 0 H HIS A 40 8.507 3.070 9.416 1.00 0.00 H new ATOM 0 HA HIS A 40 8.988 5.754 8.766 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.418 3.177 8.016 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.033 4.757 7.570 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.286 6.464 9.819 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.431 2.326 10.405 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.417 6.094 12.060 1.00 0.00 H new ATOM 645 N ALA A 41 8.000 3.891 6.238 1.00 0.00 N ATOM 646 CA ALA A 41 7.398 3.911 4.915 1.00 0.00 C ATOM 647 C ALA A 41 6.162 4.821 4.935 1.00 0.00 C ATOM 648 O ALA A 41 6.072 5.764 4.166 1.00 0.00 O ATOM 649 CB ALA A 41 7.054 2.479 4.479 1.00 0.00 C ATOM 0 H ALA A 41 7.999 2.970 6.676 1.00 0.00 H new ATOM 0 HA ALA A 41 8.100 4.314 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.603 2.499 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.963 1.878 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.351 2.042 5.188 1.00 0.00 H new ATOM 655 N ILE A 42 5.261 4.579 5.887 1.00 0.00 N ATOM 656 CA ILE A 42 4.046 5.387 6.066 1.00 0.00 C ATOM 657 C ILE A 42 4.381 6.868 6.361 1.00 0.00 C ATOM 658 O ILE A 42 3.593 7.756 6.031 1.00 0.00 O ATOM 659 CB ILE A 42 3.121 4.772 7.172 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.650 3.352 6.730 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.896 5.675 7.474 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.052 2.522 7.832 1.00 0.00 C ATOM 0 H ILE A 42 5.350 3.817 6.559 1.00 0.00 H new ATOM 0 HA ILE A 42 3.496 5.368 5.125 1.00 0.00 H new ATOM 0 HB ILE A 42 3.701 4.698 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.914 3.459 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.500 2.816 6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.283 5.210 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.239 6.650 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.304 5.801 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.753 1.552 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.790 2.379 8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.179 3.032 8.239 1.00 0.00 H new ATOM 674 N GLU A 43 5.591 7.140 6.893 1.00 0.00 N ATOM 675 CA GLU A 43 6.029 8.515 7.165 1.00 0.00 C ATOM 676 C GLU A 43 6.186 9.277 5.847 1.00 0.00 C ATOM 677 O GLU A 43 5.894 10.468 5.798 1.00 0.00 O ATOM 678 CB GLU A 43 7.343 8.582 7.986 1.00 0.00 C ATOM 679 CG GLU A 43 7.236 8.078 9.442 1.00 0.00 C ATOM 680 CD GLU A 43 8.546 8.247 10.231 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.557 7.629 9.860 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.581 9.021 11.204 1.00 0.00 O ATOM 0 H GLU A 43 6.276 6.425 7.140 1.00 0.00 H new ATOM 0 HA GLU A 43 5.258 8.983 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.104 7.996 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.691 9.615 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.439 8.619 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.954 7.025 9.437 1.00 0.00 H new ATOM 689 N SER A 44 6.624 8.567 4.778 1.00 0.00 N ATOM 690 CA SER A 44 6.608 9.126 3.402 1.00 0.00 C ATOM 691 C SER A 44 5.208 9.585 2.994 1.00 0.00 C ATOM 692 O SER A 44 5.053 10.634 2.342 1.00 0.00 O ATOM 693 CB SER A 44 7.101 8.084 2.373 1.00 0.00 C ATOM 694 OG SER A 44 8.517 7.995 2.353 1.00 0.00 O ATOM 0 H SER A 44 6.989 7.617 4.840 1.00 0.00 H new ATOM 0 HA SER A 44 7.279 9.985 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.678 7.108 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.739 8.353 1.381 1.00 0.00 H new ATOM 0 HG SER A 44 8.846 8.217 1.457 1.00 0.00 H new ATOM 700 N ILE A 45 4.193 8.782 3.373 1.00 0.00 N ATOM 701 CA ILE A 45 2.818 9.020 2.939 1.00 0.00 C ATOM 702 C ILE A 45 2.296 10.328 3.564 1.00 0.00 C ATOM 703 O ILE A 45 1.632 11.131 2.899 1.00 0.00 O ATOM 704 CB ILE A 45 1.814 7.832 3.277 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.461 6.425 3.101 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.591 7.934 2.358 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.779 6.024 1.682 1.00 0.00 C ATOM 0 H ILE A 45 4.308 7.968 3.977 1.00 0.00 H new ATOM 0 HA ILE A 45 2.852 9.092 1.852 1.00 0.00 H new ATOM 0 HB ILE A 45 1.533 7.934 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.382 6.394 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.789 5.680 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.102 7.123 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.094 8.891 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.910 7.860 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.225 5.029 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.862 6.014 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.480 6.738 1.250 1.00 0.00 H new ATOM 719 N LYS A 46 2.659 10.545 4.845 1.00 0.00 N ATOM 720 CA LYS A 46 2.199 11.711 5.640 1.00 0.00 C ATOM 721 C LYS A 46 2.682 13.049 5.064 1.00 0.00 C ATOM 722 O LYS A 46 2.028 14.085 5.228 1.00 0.00 O ATOM 723 CB LYS A 46 2.645 11.581 7.135 1.00 0.00 C ATOM 724 CG LYS A 46 2.443 10.173 7.782 1.00 0.00 C ATOM 725 CD LYS A 46 1.061 9.545 7.460 1.00 0.00 C ATOM 726 CE LYS A 46 -0.110 10.423 7.907 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.344 10.351 9.358 1.00 0.00 N ATOM 0 H LYS A 46 3.279 9.920 5.360 1.00 0.00 H new ATOM 0 HA LYS A 46 1.110 11.707 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.700 11.844 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.094 12.314 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.229 9.504 7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.553 10.258 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.988 9.370 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.987 8.573 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.086 11.457 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.013 10.115 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.626 11.288 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.101 9.665 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.529 10.049 9.836 1.00 0.00 H new ATOM 741 N ARG A 47 3.818 12.990 4.384 1.00 0.00 N ATOM 742 CA ARG A 47 4.552 14.176 3.902 1.00 0.00 C ATOM 743 C ARG A 47 3.846 14.899 2.738 1.00 0.00 C ATOM 744 O ARG A 47 3.582 16.106 2.829 1.00 0.00 O ATOM 745 CB ARG A 47 5.986 13.774 3.523 1.00 0.00 C ATOM 746 CG ARG A 47 6.800 13.320 4.750 1.00 0.00 C ATOM 747 CD ARG A 47 8.236 12.981 4.406 1.00 0.00 C ATOM 748 NE ARG A 47 9.003 12.522 5.578 1.00 0.00 N ATOM 749 CZ ARG A 47 10.341 12.474 5.663 1.00 0.00 C ATOM 750 NH1 ARG A 47 11.103 12.766 4.616 1.00 0.00 N ATOM 751 NH2 ARG A 47 10.908 12.094 6.798 1.00 0.00 N ATOM 0 H ARG A 47 4.272 12.109 4.142 1.00 0.00 H new ATOM 0 HA ARG A 47 4.579 14.897 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.955 12.968 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.486 14.618 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.787 14.109 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.322 12.448 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.250 12.205 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.721 13.859 3.979 1.00 0.00 H new ATOM 0 HE ARG A 47 8.472 12.215 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.673 13.032 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.119 12.725 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.328 11.841 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.925 12.054 6.872 1.00 0.00 H new ATOM 765 N ASN A 48 3.529 14.153 1.663 1.00 0.00 N ATOM 766 CA ASN A 48 3.012 14.771 0.407 1.00 0.00 C ATOM 767 C ASN A 48 2.354 13.736 -0.536 1.00 0.00 C ATOM 768 O ASN A 48 2.120 14.026 -1.706 1.00 0.00 O ATOM 769 CB ASN A 48 4.158 15.555 -0.316 1.00 0.00 C ATOM 770 CG ASN A 48 3.667 16.696 -1.219 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.372 16.504 -2.396 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.600 17.899 -0.669 1.00 0.00 N ATOM 0 H ASN A 48 3.616 13.137 1.628 1.00 0.00 H new ATOM 0 HA ASN A 48 2.225 15.473 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.832 15.966 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.739 14.855 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.297 18.698 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.852 18.026 0.311 1.00 0.00 H new ATOM 779 N SER A 49 2.031 12.536 -0.027 1.00 0.00 N ATOM 780 CA SER A 49 1.458 11.450 -0.856 1.00 0.00 C ATOM 781 C SER A 49 0.034 11.778 -1.332 1.00 0.00 C ATOM 782 O SER A 49 -0.367 11.380 -2.435 1.00 0.00 O ATOM 783 CB SER A 49 1.460 10.142 -0.088 1.00 0.00 C ATOM 784 OG SER A 49 1.132 9.043 -0.903 1.00 0.00 O ATOM 0 H SER A 49 2.155 12.288 0.955 1.00 0.00 H new ATOM 0 HA SER A 49 2.088 11.352 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.444 9.984 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.749 10.206 0.735 1.00 0.00 H new ATOM 0 HG SER A 49 1.149 9.317 -1.844 1.00 0.00 H new ATOM 790 N ALA A 50 -0.724 12.507 -0.489 1.00 0.00 N ATOM 791 CA ALA A 50 -2.042 13.043 -0.866 1.00 0.00 C ATOM 792 C ALA A 50 -1.944 14.096 -1.993 1.00 0.00 C ATOM 793 O ALA A 50 -2.952 14.443 -2.608 1.00 0.00 O ATOM 794 CB ALA A 50 -2.762 13.601 0.370 1.00 0.00 C ATOM 0 H ALA A 50 -0.441 12.738 0.463 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.634 12.220 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.736 13.994 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.897 12.805 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.165 14.400 0.809 1.00 0.00 H new ATOM 800 N GLY A 51 -0.722 14.608 -2.237 1.00 0.00 N ATOM 801 CA GLY A 51 -0.440 15.477 -3.392 1.00 0.00 C ATOM 802 C GLY A 51 0.431 14.822 -4.466 1.00 0.00 C ATOM 803 O GLY A 51 0.625 15.413 -5.535 1.00 0.00 O ATOM 0 H GLY A 51 0.089 14.432 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.384 15.784 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.054 16.382 -3.040 1.00 0.00 H new ATOM 807 N ALA A 52 0.951 13.609 -4.187 1.00 0.00 N ATOM 808 CA ALA A 52 1.877 12.880 -5.087 1.00 0.00 C ATOM 809 C ALA A 52 1.185 12.383 -6.364 1.00 0.00 C ATOM 810 O ALA A 52 0.162 11.715 -6.294 1.00 0.00 O ATOM 811 CB ALA A 52 2.491 11.691 -4.349 1.00 0.00 C ATOM 0 H ALA A 52 0.741 13.102 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 52 2.654 13.584 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.170 11.160 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.042 12.048 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.699 11.016 -4.025 1.00 0.00 H new ATOM 817 N ASP A 53 1.795 12.676 -7.522 1.00 0.00 N ATOM 818 CA ASP A 53 1.233 12.343 -8.850 1.00 0.00 C ATOM 819 C ASP A 53 1.078 10.813 -9.040 1.00 0.00 C ATOM 820 O ASP A 53 1.735 10.025 -8.369 1.00 0.00 O ATOM 821 CB ASP A 53 2.117 12.962 -9.967 1.00 0.00 C ATOM 822 CG ASP A 53 1.510 12.822 -11.379 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.515 13.516 -11.676 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.001 12.004 -12.184 1.00 0.00 O ATOM 0 H ASP A 53 2.696 13.152 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 53 0.233 12.772 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.275 14.019 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.096 12.484 -9.952 1.00 0.00 H new ATOM 829 N THR A 54 0.154 10.406 -9.916 1.00 0.00 N ATOM 830 CA THR A 54 -0.120 8.986 -10.193 1.00 0.00 C ATOM 831 C THR A 54 0.342 8.617 -11.621 1.00 0.00 C ATOM 832 O THR A 54 -0.329 8.942 -12.607 1.00 0.00 O ATOM 833 CB THR A 54 -1.642 8.700 -9.988 1.00 0.00 C ATOM 834 OG1 THR A 54 -2.036 9.179 -8.686 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.993 7.207 -10.097 1.00 0.00 C ATOM 0 H THR A 54 -0.427 11.049 -10.455 1.00 0.00 H new ATOM 0 HA THR A 54 0.442 8.362 -9.498 1.00 0.00 H new ATOM 0 HB THR A 54 -2.179 9.217 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.991 9.005 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.064 7.073 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.718 6.840 -11.086 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.446 6.648 -9.337 1.00 0.00 H new ATOM 843 N VAL A 55 1.519 7.976 -11.723 1.00 0.00 N ATOM 844 CA VAL A 55 2.111 7.536 -13.007 1.00 0.00 C ATOM 845 C VAL A 55 1.853 6.030 -13.223 1.00 0.00 C ATOM 846 O VAL A 55 2.189 5.222 -12.352 1.00 0.00 O ATOM 847 CB VAL A 55 3.666 7.797 -13.021 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.300 7.453 -14.388 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.983 9.249 -12.610 1.00 0.00 C ATOM 0 H VAL A 55 2.094 7.745 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 55 1.643 8.108 -13.808 1.00 0.00 H new ATOM 0 HB VAL A 55 4.113 7.128 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.372 7.648 -14.351 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.130 6.400 -14.613 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.846 8.068 -15.165 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.062 9.405 -12.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.506 9.937 -13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.606 9.433 -11.604 1.00 0.00 H new ATOM 859 N ASP A 56 1.241 5.680 -14.368 1.00 0.00 N ATOM 860 CA ASP A 56 1.026 4.279 -14.801 1.00 0.00 C ATOM 861 C ASP A 56 2.031 3.907 -15.920 1.00 0.00 C ATOM 862 O ASP A 56 1.941 4.408 -17.048 1.00 0.00 O ATOM 863 CB ASP A 56 -0.437 4.090 -15.283 1.00 0.00 C ATOM 864 CG ASP A 56 -0.711 2.692 -15.877 1.00 0.00 C ATOM 865 OD1 ASP A 56 -1.062 1.781 -15.117 1.00 0.00 O ATOM 866 OD2 ASP A 56 -0.560 2.507 -17.114 1.00 0.00 O ATOM 0 H ASP A 56 0.876 6.366 -15.029 1.00 0.00 H new ATOM 0 HA ASP A 56 1.196 3.613 -13.955 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.113 4.259 -14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.665 4.847 -16.034 1.00 0.00 H new ATOM 871 N LEU A 57 2.983 3.038 -15.577 1.00 0.00 N ATOM 872 CA LEU A 57 4.047 2.555 -16.483 1.00 0.00 C ATOM 873 C LEU A 57 3.606 1.327 -17.313 1.00 0.00 C ATOM 874 O LEU A 57 4.218 1.041 -18.348 1.00 0.00 O ATOM 875 CB LEU A 57 5.336 2.185 -15.677 1.00 0.00 C ATOM 876 CG LEU A 57 6.051 3.335 -14.881 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.389 4.545 -15.776 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.251 3.770 -13.636 1.00 0.00 C ATOM 0 H LEU A 57 3.044 2.636 -14.642 1.00 0.00 H new ATOM 0 HA LEU A 57 4.258 3.374 -17.171 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.075 1.398 -14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.058 1.760 -16.374 1.00 0.00 H new ATOM 0 HG LEU A 57 6.995 2.917 -14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.882 5.313 -15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.053 4.228 -16.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.471 4.950 -16.202 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.786 4.567 -13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.269 4.132 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.131 2.919 -12.965 1.00 0.00 H new ATOM 890 N THR A 58 2.538 0.619 -16.891 1.00 0.00 N ATOM 891 CA THR A 58 2.131 -0.670 -17.521 1.00 0.00 C ATOM 892 C THR A 58 1.098 -0.462 -18.661 1.00 0.00 C ATOM 893 O THR A 58 0.407 -1.400 -19.080 1.00 0.00 O ATOM 894 CB THR A 58 1.615 -1.676 -16.434 1.00 0.00 C ATOM 895 OG1 THR A 58 1.358 -2.983 -16.976 1.00 0.00 O ATOM 896 CG2 THR A 58 0.371 -1.167 -15.698 1.00 0.00 C ATOM 0 H THR A 58 1.938 0.911 -16.119 1.00 0.00 H new ATOM 0 HA THR A 58 3.014 -1.107 -17.987 1.00 0.00 H new ATOM 0 HB THR A 58 2.426 -1.755 -15.711 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.951 -2.895 -17.863 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.059 -1.904 -14.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.603 -0.227 -15.198 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.435 -1.008 -16.414 1.00 0.00 H new ATOM 904 N THR A 59 1.035 0.770 -19.198 1.00 0.00 N ATOM 905 CA THR A 59 0.349 1.049 -20.478 1.00 0.00 C ATOM 906 C THR A 59 1.133 0.422 -21.656 1.00 0.00 C ATOM 907 O THR A 59 0.576 0.215 -22.749 1.00 0.00 O ATOM 908 CB THR A 59 0.146 2.600 -20.708 1.00 0.00 C ATOM 909 OG1 THR A 59 0.895 3.352 -19.731 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.342 3.010 -20.645 1.00 0.00 C ATOM 0 H THR A 59 1.452 1.594 -18.765 1.00 0.00 H new ATOM 0 HA THR A 59 -0.640 0.594 -20.430 1.00 0.00 H new ATOM 0 HB THR A 59 0.512 2.825 -21.710 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.467 3.266 -18.854 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.431 4.084 -20.809 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.899 2.478 -21.416 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.748 2.758 -19.665 1.00 0.00 H new ATOM 961 N MET B 1 8.885 16.396 -7.992 1.00 0.00 N ATOM 962 CA MET B 1 8.213 15.728 -6.851 1.00 0.00 C ATOM 963 C MET B 1 8.128 14.217 -7.091 1.00 0.00 C ATOM 964 O MET B 1 8.066 13.771 -8.245 1.00 0.00 O ATOM 965 CB MET B 1 6.777 16.295 -6.635 1.00 0.00 C ATOM 966 CG MET B 1 6.099 15.843 -5.331 1.00 0.00 C ATOM 967 SD MET B 1 4.384 16.401 -5.205 1.00 0.00 S ATOM 968 CE MET B 1 4.529 18.164 -5.500 1.00 0.00 C ATOM 0 H1 MET B 1 8.424 17.309 -8.180 1.00 0.00 H new ATOM 0 H2 MET B 1 9.886 16.555 -7.760 1.00 0.00 H new ATOM 0 H3 MET B 1 8.817 15.793 -8.837 1.00 0.00 H new ATOM 0 HA MET B 1 8.807 15.923 -5.958 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.825 17.384 -6.645 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.152 15.996 -7.476 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.128 14.755 -5.270 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.664 16.225 -4.481 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.596 18.657 -5.225 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.344 18.568 -4.899 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.735 18.341 -6.556 1.00 0.00 H new ATOM 978 N TYR B 2 8.098 13.437 -5.990 1.00 0.00 N ATOM 979 CA TYR B 2 7.847 11.991 -6.043 1.00 0.00 C ATOM 980 C TYR B 2 6.389 11.672 -6.441 1.00 0.00 C ATOM 981 O TYR B 2 5.510 12.547 -6.439 1.00 0.00 O ATOM 982 CB TYR B 2 8.230 11.310 -4.710 1.00 0.00 C ATOM 983 CG TYR B 2 7.786 12.007 -3.405 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.442 12.197 -3.079 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.734 12.436 -2.477 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.072 12.789 -1.887 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.371 13.015 -1.289 1.00 0.00 C ATOM 988 CZ TYR B 2 7.042 13.190 -0.993 1.00 0.00 C ATOM 989 OH TYR B 2 6.681 13.748 0.211 1.00 0.00 O ATOM 0 H TYR B 2 8.247 13.795 -5.046 1.00 0.00 H new ATOM 0 HA TYR B 2 8.487 11.580 -6.824 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.812 10.303 -4.713 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.315 11.205 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.678 11.875 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.783 12.309 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.027 12.937 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.128 13.333 -0.588 1.00 0.00 H new ATOM 0 HH TYR B 2 7.486 13.973 0.722 1.00 0.00 H new ATOM 999 N LYS B 3 6.151 10.387 -6.732 1.00 0.00 N ATOM 1000 CA LYS B 3 4.904 9.914 -7.338 1.00 0.00 C ATOM 1001 C LYS B 3 4.707 8.405 -7.119 1.00 0.00 C ATOM 1002 O LYS B 3 5.540 7.729 -6.500 1.00 0.00 O ATOM 1003 CB LYS B 3 4.832 10.296 -8.869 1.00 0.00 C ATOM 1004 CG LYS B 3 6.150 10.224 -9.688 1.00 0.00 C ATOM 1005 CD LYS B 3 6.800 8.823 -9.750 1.00 0.00 C ATOM 1006 CE LYS B 3 7.983 8.787 -10.735 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.780 7.554 -10.634 1.00 0.00 N ATOM 0 H LYS B 3 6.824 9.642 -6.552 1.00 0.00 H new ATOM 0 HA LYS B 3 4.080 10.421 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.103 9.640 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.444 11.312 -8.945 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.948 10.560 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.867 10.923 -9.258 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.145 8.538 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.053 8.088 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.604 8.886 -11.752 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.628 9.646 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.777 7.798 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.428 6.977 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.699 7.015 -11.520 1.00 0.00 H new ATOM 1021 N PHE B 4 3.580 7.907 -7.641 1.00 0.00 N ATOM 1022 CA PHE B 4 3.201 6.497 -7.612 1.00 0.00 C ATOM 1023 C PHE B 4 3.538 5.819 -8.952 1.00 0.00 C ATOM 1024 O PHE B 4 3.041 6.229 -10.008 1.00 0.00 O ATOM 1025 CB PHE B 4 1.685 6.371 -7.313 1.00 0.00 C ATOM 1026 CG PHE B 4 1.302 6.688 -5.866 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.361 5.680 -4.897 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.888 7.973 -5.461 1.00 0.00 C ATOM 1029 CE1 PHE B 4 1.016 5.933 -3.589 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.547 8.212 -4.148 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.611 7.192 -3.217 1.00 0.00 C ATOM 0 H PHE B 4 2.889 8.494 -8.108 1.00 0.00 H new ATOM 0 HA PHE B 4 3.765 5.996 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.138 7.041 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.363 5.357 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.682 4.688 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.838 8.774 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE B 4 1.064 5.142 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.229 9.199 -3.845 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.341 7.386 -2.190 1.00 0.00 H new ATOM 1041 N GLU B 5 4.398 4.794 -8.903 1.00 0.00 N ATOM 1042 CA GLU B 5 4.736 3.970 -10.072 1.00 0.00 C ATOM 1043 C GLU B 5 3.841 2.724 -10.107 1.00 0.00 C ATOM 1044 O GLU B 5 4.025 1.803 -9.302 1.00 0.00 O ATOM 1045 CB GLU B 5 6.230 3.545 -10.052 1.00 0.00 C ATOM 1046 CG GLU B 5 7.236 4.685 -10.241 1.00 0.00 C ATOM 1047 CD GLU B 5 8.713 4.230 -10.198 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.044 3.280 -9.462 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.560 4.866 -10.857 1.00 0.00 O ATOM 0 H GLU B 5 4.881 4.512 -8.050 1.00 0.00 H new ATOM 0 HA GLU B 5 4.567 4.568 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.438 3.052 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.391 2.806 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.044 5.172 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.073 5.432 -9.465 1.00 0.00 H new ATOM 1056 N ILE B 6 2.891 2.694 -11.056 1.00 0.00 N ATOM 1057 CA ILE B 6 1.979 1.560 -11.247 1.00 0.00 C ATOM 1058 C ILE B 6 2.509 0.718 -12.396 1.00 0.00 C ATOM 1059 O ILE B 6 2.702 1.226 -13.499 1.00 0.00 O ATOM 1060 CB ILE B 6 0.531 2.018 -11.637 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.003 3.073 -10.633 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.427 0.794 -11.736 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.253 3.781 -11.103 1.00 0.00 C ATOM 0 H ILE B 6 2.735 3.459 -11.713 1.00 0.00 H new ATOM 0 HA ILE B 6 1.929 1.011 -10.307 1.00 0.00 H new ATOM 0 HB ILE B 6 0.573 2.488 -12.620 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.209 2.584 -9.681 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.776 3.813 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.426 1.135 -12.008 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.059 0.105 -12.496 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.467 0.284 -10.773 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.567 4.503 -10.350 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.047 4.300 -12.039 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.047 3.051 -11.260 1.00 0.00 H new ATOM 1075 N TYR B 7 2.731 -0.552 -12.144 1.00 0.00 N ATOM 1076 CA TYR B 7 3.109 -1.492 -13.189 1.00 0.00 C ATOM 1077 C TYR B 7 2.714 -2.905 -12.784 1.00 0.00 C ATOM 1078 O TYR B 7 2.103 -3.112 -11.744 1.00 0.00 O ATOM 1079 CB TYR B 7 4.625 -1.371 -13.524 1.00 0.00 C ATOM 1080 CG TYR B 7 5.554 -1.757 -12.372 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.781 -0.884 -11.313 1.00 0.00 C ATOM 1082 CD2 TYR B 7 6.190 -2.998 -12.336 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.600 -1.238 -10.276 1.00 0.00 C ATOM 1084 CE2 TYR B 7 7.012 -3.352 -11.297 1.00 0.00 C ATOM 1085 CZ TYR B 7 7.215 -2.473 -10.269 1.00 0.00 C ATOM 1086 OH TYR B 7 8.046 -2.826 -9.230 1.00 0.00 O ATOM 0 H TYR B 7 2.657 -0.967 -11.215 1.00 0.00 H new ATOM 0 HA TYR B 7 2.569 -1.248 -14.104 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.847 -2.004 -14.383 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.839 -0.344 -13.820 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.305 0.085 -11.309 1.00 0.00 H new ATOM 0 HD2 TYR B 7 6.031 -3.696 -13.145 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.766 -0.549 -9.461 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.495 -4.318 -11.291 1.00 0.00 H new ATOM 0 HH TYR B 7 8.395 -3.729 -9.382 1.00 0.00 H new ATOM 1096 N GLN B 8 3.053 -3.867 -13.634 1.00 0.00 N ATOM 1097 CA GLN B 8 2.888 -5.293 -13.318 1.00 0.00 C ATOM 1098 C GLN B 8 4.278 -5.931 -13.253 1.00 0.00 C ATOM 1099 O GLN B 8 5.196 -5.537 -13.982 1.00 0.00 O ATOM 1100 CB GLN B 8 1.958 -6.022 -14.335 1.00 0.00 C ATOM 1101 CG GLN B 8 2.609 -6.507 -15.641 1.00 0.00 C ATOM 1102 CD GLN B 8 1.576 -6.874 -16.710 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.185 -6.043 -17.528 1.00 0.00 O ATOM 1104 NE2 GLN B 8 1.086 -8.102 -16.679 1.00 0.00 N ATOM 0 H GLN B 8 3.448 -3.689 -14.557 1.00 0.00 H new ATOM 0 HA GLN B 8 2.392 -5.393 -12.353 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.516 -6.884 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.140 -5.348 -14.592 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.266 -5.727 -16.027 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.234 -7.375 -15.431 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.429 -8.771 -15.989 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.365 -8.380 -17.345 1.00 0.00 H new ATOM 1113 N ASP B 9 4.423 -6.887 -12.356 1.00 0.00 N ATOM 1114 CA ASP B 9 5.656 -7.647 -12.170 1.00 0.00 C ATOM 1115 C ASP B 9 5.752 -8.709 -13.269 1.00 0.00 C ATOM 1116 O ASP B 9 4.734 -9.006 -13.892 1.00 0.00 O ATOM 1117 CB ASP B 9 5.635 -8.268 -10.752 1.00 0.00 C ATOM 1118 CG ASP B 9 6.800 -9.218 -10.456 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.958 -8.760 -10.470 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.563 -10.423 -10.224 1.00 0.00 O ATOM 0 H ASP B 9 3.676 -7.167 -11.721 1.00 0.00 H new ATOM 0 HA ASP B 9 6.537 -7.011 -12.249 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.643 -7.463 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.699 -8.810 -10.621 1.00 0.00 H new ATOM 1125 N LYS B 10 6.973 -9.257 -13.483 1.00 0.00 N ATOM 1126 CA LYS B 10 7.255 -10.343 -14.457 1.00 0.00 C ATOM 1127 C LYS B 10 6.256 -11.519 -14.352 1.00 0.00 C ATOM 1128 O LYS B 10 5.882 -12.122 -15.359 1.00 0.00 O ATOM 1129 CB LYS B 10 8.751 -10.805 -14.360 1.00 0.00 C ATOM 1130 CG LYS B 10 9.343 -10.935 -12.941 1.00 0.00 C ATOM 1131 CD LYS B 10 8.863 -12.173 -12.165 1.00 0.00 C ATOM 1132 CE LYS B 10 9.364 -12.172 -10.722 1.00 0.00 C ATOM 1133 NZ LYS B 10 8.832 -13.321 -9.944 1.00 0.00 N ATOM 0 H LYS B 10 7.804 -8.953 -12.976 1.00 0.00 H new ATOM 0 HA LYS B 10 7.105 -9.931 -15.455 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.842 -11.771 -14.857 1.00 0.00 H new ATOM 0 HB3 LYS B 10 9.363 -10.099 -14.921 1.00 0.00 H new ATOM 0 HG2 LYS B 10 10.430 -10.966 -13.015 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.088 -10.042 -12.371 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.773 -12.205 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.211 -13.075 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS B 10 10.453 -12.205 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.071 -11.240 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 9.198 -13.281 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 7.793 -13.277 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.133 -14.211 -10.390 1.00 0.00 H new ATOM 1147 N ALA B 11 5.810 -11.795 -13.112 1.00 0.00 N ATOM 1148 CA ALA B 11 4.812 -12.839 -12.805 1.00 0.00 C ATOM 1149 C ALA B 11 3.361 -12.407 -13.173 1.00 0.00 C ATOM 1150 O ALA B 11 2.399 -13.126 -12.884 1.00 0.00 O ATOM 1151 CB ALA B 11 4.910 -13.203 -11.317 1.00 0.00 C ATOM 0 H ALA B 11 6.136 -11.294 -12.285 1.00 0.00 H new ATOM 0 HA ALA B 11 5.036 -13.712 -13.419 1.00 0.00 H new ATOM 0 HB1 ALA B 11 4.176 -13.974 -11.082 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.911 -13.576 -11.099 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.713 -12.318 -10.712 1.00 0.00 H new ATOM 1157 N GLY B 12 3.233 -11.250 -13.842 1.00 0.00 N ATOM 1158 CA GLY B 12 1.952 -10.642 -14.199 1.00 0.00 C ATOM 1159 C GLY B 12 1.269 -9.949 -13.032 1.00 0.00 C ATOM 1160 O GLY B 12 0.066 -9.674 -13.092 1.00 0.00 O ATOM 0 H GLY B 12 4.036 -10.704 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.111 -9.919 -14.999 1.00 0.00 H new ATOM 0 HA3 GLY B 12 1.289 -11.413 -14.593 1.00 0.00 H new ATOM 1164 N GLU B 13 2.046 -9.618 -11.985 1.00 0.00 N ATOM 1165 CA GLU B 13 1.483 -9.159 -10.692 1.00 0.00 C ATOM 1166 C GLU B 13 1.413 -7.633 -10.623 1.00 0.00 C ATOM 1167 O GLU B 13 2.418 -6.981 -10.334 1.00 0.00 O ATOM 1168 CB GLU B 13 2.306 -9.710 -9.502 1.00 0.00 C ATOM 1169 CG GLU B 13 2.247 -11.238 -9.351 1.00 0.00 C ATOM 1170 CD GLU B 13 2.862 -11.725 -8.036 1.00 0.00 C ATOM 1171 OE1 GLU B 13 2.147 -11.770 -7.009 1.00 0.00 O ATOM 1172 OE2 GLU B 13 4.068 -12.029 -8.005 1.00 0.00 O ATOM 0 H GLU B 13 3.065 -9.658 -12.004 1.00 0.00 H new ATOM 0 HA GLU B 13 0.468 -9.549 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.346 -9.408 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.946 -9.251 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.208 -11.565 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.771 -11.702 -10.187 1.00 0.00 H new ATOM 1179 N TYR B 14 0.238 -7.075 -10.954 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.029 -5.633 -10.810 1.00 0.00 C ATOM 1181 C TYR B 14 0.228 -5.162 -9.371 1.00 0.00 C ATOM 1182 O TYR B 14 -0.187 -5.807 -8.412 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.457 -5.275 -11.294 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.597 -5.419 -12.820 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.299 -4.355 -13.675 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.977 -6.629 -13.406 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.380 -4.494 -15.048 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.063 -6.766 -14.776 1.00 0.00 C ATOM 1189 CZ TYR B 14 -1.764 -5.699 -15.591 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.849 -5.839 -16.959 1.00 0.00 O ATOM 0 H TYR B 14 -0.550 -7.605 -11.327 1.00 0.00 H new ATOM 0 HA TYR B 14 0.669 -5.096 -11.452 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.181 -5.923 -10.800 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.694 -4.252 -11.002 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.000 -3.406 -13.255 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -2.208 -7.474 -12.774 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.143 -3.660 -15.692 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -2.364 -7.709 -15.208 1.00 0.00 H new ATOM 0 HH TYR B 14 -0.948 -5.904 -17.338 1.00 0.00 H new ATOM 1200 N ARG B 15 0.985 -4.063 -9.280 1.00 0.00 N ATOM 1201 CA ARG B 15 1.507 -3.466 -8.045 1.00 0.00 C ATOM 1202 C ARG B 15 1.696 -1.960 -8.282 1.00 0.00 C ATOM 1203 O ARG B 15 2.173 -1.558 -9.353 1.00 0.00 O ATOM 1204 CB ARG B 15 2.897 -4.086 -7.695 1.00 0.00 C ATOM 1205 CG ARG B 15 2.941 -5.621 -7.522 1.00 0.00 C ATOM 1206 CD ARG B 15 4.372 -6.161 -7.577 1.00 0.00 C ATOM 1207 NE ARG B 15 4.449 -7.622 -7.361 1.00 0.00 N ATOM 1208 CZ ARG B 15 5.582 -8.315 -7.121 1.00 0.00 C ATOM 1209 NH1 ARG B 15 6.746 -7.694 -6.965 1.00 0.00 N ATOM 1210 NH2 ARG B 15 5.545 -9.636 -7.033 1.00 0.00 N ATOM 0 H ARG B 15 1.265 -3.538 -10.109 1.00 0.00 H new ATOM 0 HA ARG B 15 0.811 -3.653 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.601 -3.810 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.253 -3.628 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.487 -5.892 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.345 -6.092 -8.304 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.808 -5.919 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.974 -5.656 -6.822 1.00 0.00 H new ATOM 0 HE ARG B 15 3.576 -8.148 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG B 15 6.794 -6.677 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG B 15 7.592 -8.234 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG B 15 4.660 -10.130 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG B 15 6.402 -10.159 -6.852 1.00 0.00 H new ATOM 1224 N PHE B 16 1.343 -1.122 -7.299 1.00 0.00 N ATOM 1225 CA PHE B 16 1.718 0.302 -7.320 1.00 0.00 C ATOM 1226 C PHE B 16 2.682 0.581 -6.164 1.00 0.00 C ATOM 1227 O PHE B 16 2.517 0.062 -5.057 1.00 0.00 O ATOM 1228 CB PHE B 16 0.478 1.234 -7.300 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.414 1.176 -6.056 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -0.179 2.019 -4.968 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.507 0.312 -5.996 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -1.000 1.996 -3.864 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.333 0.297 -4.891 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.078 1.141 -3.828 1.00 0.00 C ATOM 0 H PHE B 16 0.801 -1.401 -6.482 1.00 0.00 H new ATOM 0 HA PHE B 16 2.227 0.523 -8.258 1.00 0.00 H new ATOM 0 HB2 PHE B 16 0.824 2.261 -7.422 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -0.137 0.999 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.660 2.699 -4.993 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.709 -0.352 -6.823 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.799 2.648 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.178 -0.374 -4.857 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.727 1.130 -2.965 1.00 0.00 H new ATOM 1244 N ARG B 17 3.710 1.372 -6.449 1.00 0.00 N ATOM 1245 CA ARG B 17 4.777 1.713 -5.506 1.00 0.00 C ATOM 1246 C ARG B 17 4.732 3.213 -5.244 1.00 0.00 C ATOM 1247 O ARG B 17 4.151 3.962 -6.034 1.00 0.00 O ATOM 1248 CB ARG B 17 6.161 1.327 -6.103 1.00 0.00 C ATOM 1249 CG ARG B 17 6.333 -0.170 -6.420 1.00 0.00 C ATOM 1250 CD ARG B 17 7.673 -0.492 -7.111 1.00 0.00 C ATOM 1251 NE ARG B 17 8.851 -0.321 -6.252 1.00 0.00 N ATOM 1252 CZ ARG B 17 10.130 -0.405 -6.675 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.417 -0.544 -7.966 1.00 0.00 N ATOM 1254 NH2 ARG B 17 11.119 -0.343 -5.797 1.00 0.00 N ATOM 0 H ARG B 17 3.831 1.806 -7.364 1.00 0.00 H new ATOM 0 HA ARG B 17 4.634 1.165 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.318 1.898 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.940 1.627 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.262 -0.742 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG B 17 5.513 -0.496 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG B 17 7.646 -1.521 -7.470 1.00 0.00 H new ATOM 0 HD3 ARG B 17 7.780 0.148 -7.987 1.00 0.00 H new ATOM 0 HE ARG B 17 8.691 -0.124 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.665 -0.589 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.389 -0.606 -8.269 1.00 0.00 H new ATOM 0 HH21 ARG B 17 10.913 -0.232 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG B 17 12.087 -0.406 -6.113 1.00 0.00 H new ATOM 1268 N PHE B 18 5.361 3.653 -4.155 1.00 0.00 N ATOM 1269 CA PHE B 18 5.474 5.091 -3.843 1.00 0.00 C ATOM 1270 C PHE B 18 6.951 5.447 -3.678 1.00 0.00 C ATOM 1271 O PHE B 18 7.701 4.743 -2.986 1.00 0.00 O ATOM 1272 CB PHE B 18 4.662 5.457 -2.584 1.00 0.00 C ATOM 1273 CG PHE B 18 4.652 6.935 -2.209 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.536 7.924 -3.184 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.731 7.331 -0.879 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.513 9.249 -2.837 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.703 8.657 -0.534 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.596 9.619 -1.512 1.00 0.00 C ATOM 0 H PHE B 18 5.803 3.040 -3.469 1.00 0.00 H new ATOM 0 HA PHE B 18 5.055 5.672 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.632 5.132 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE B 18 5.058 4.890 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.463 7.643 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.816 6.582 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.430 10.005 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.765 8.947 0.505 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.577 10.664 -1.241 1.00 0.00 H new ATOM 1288 N LYS B 19 7.346 6.543 -4.338 1.00 0.00 N ATOM 1289 CA LYS B 19 8.740 6.971 -4.452 1.00 0.00 C ATOM 1290 C LYS B 19 9.085 8.082 -3.444 1.00 0.00 C ATOM 1291 O LYS B 19 8.240 8.534 -2.663 1.00 0.00 O ATOM 1292 CB LYS B 19 9.003 7.436 -5.914 1.00 0.00 C ATOM 1293 CG LYS B 19 8.703 6.336 -6.958 1.00 0.00 C ATOM 1294 CD LYS B 19 9.571 5.072 -6.714 1.00 0.00 C ATOM 1295 CE LYS B 19 11.054 5.294 -7.066 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.277 5.308 -8.531 1.00 0.00 N ATOM 0 H LYS B 19 6.693 7.165 -4.814 1.00 0.00 H new ATOM 0 HA LYS B 19 9.388 6.128 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.388 8.310 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.043 7.747 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.647 6.068 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.892 6.722 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.490 4.777 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.180 4.247 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.391 6.238 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.656 4.506 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.170 5.797 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.326 4.331 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.492 5.806 -8.997 1.00 0.00 H new ATOM 1310 N ALA B 20 10.350 8.516 -3.514 1.00 0.00 N ATOM 1311 CA ALA B 20 10.911 9.608 -2.714 1.00 0.00 C ATOM 1312 C ALA B 20 11.710 10.510 -3.654 1.00 0.00 C ATOM 1313 O ALA B 20 12.124 10.051 -4.719 1.00 0.00 O ATOM 1314 CB ALA B 20 11.787 9.061 -1.574 1.00 0.00 C ATOM 0 H ALA B 20 11.032 8.102 -4.150 1.00 0.00 H new ATOM 0 HA ALA B 20 10.114 10.182 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.191 9.891 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.184 8.426 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.607 8.478 -1.993 1.00 0.00 H new ATOM 1320 N SER B 21 11.910 11.779 -3.256 1.00 0.00 N ATOM 1321 CA SER B 21 12.603 12.817 -4.062 1.00 0.00 C ATOM 1322 C SER B 21 13.997 12.361 -4.593 1.00 0.00 C ATOM 1323 O SER B 21 14.466 12.839 -5.634 1.00 0.00 O ATOM 1324 CB SER B 21 12.767 14.091 -3.210 1.00 0.00 C ATOM 1325 OG SER B 21 11.525 14.483 -2.658 1.00 0.00 O ATOM 0 H SER B 21 11.592 12.125 -2.351 1.00 0.00 H new ATOM 0 HA SER B 21 11.984 13.008 -4.938 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.486 13.911 -2.411 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.169 14.897 -3.824 1.00 0.00 H new ATOM 0 HG SER B 21 11.647 15.292 -2.119 1.00 0.00 H new ATOM 1331 N ASN B 22 14.632 11.419 -3.868 1.00 0.00 N ATOM 1332 CA ASN B 22 15.974 10.883 -4.197 1.00 0.00 C ATOM 1333 C ASN B 22 15.885 9.627 -5.107 1.00 0.00 C ATOM 1334 O ASN B 22 16.881 8.926 -5.299 1.00 0.00 O ATOM 1335 CB ASN B 22 16.727 10.527 -2.880 1.00 0.00 C ATOM 1336 CG ASN B 22 16.857 11.690 -1.891 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.930 12.850 -2.277 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.890 11.382 -0.602 1.00 0.00 N ATOM 0 H ASN B 22 14.227 11.003 -3.029 1.00 0.00 H new ATOM 0 HA ASN B 22 16.520 11.651 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.206 9.705 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.725 10.167 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.978 12.120 0.097 1.00 0.00 H new ATOM 0 HD22 ASN B 22 16.827 10.407 -0.309 1.00 0.00 H new ATOM 1345 N GLY B 23 14.687 9.372 -5.674 1.00 0.00 N ATOM 1346 CA GLY B 23 14.412 8.181 -6.495 1.00 0.00 C ATOM 1347 C GLY B 23 14.325 6.887 -5.689 1.00 0.00 C ATOM 1348 O GLY B 23 14.406 5.792 -6.253 1.00 0.00 O ATOM 0 H GLY B 23 13.882 9.991 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.474 8.329 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.196 8.079 -7.246 1.00 0.00 H new ATOM 1352 N GLU B 24 14.164 7.027 -4.368 1.00 0.00 N ATOM 1353 CA GLU B 24 14.044 5.892 -3.434 1.00 0.00 C ATOM 1354 C GLU B 24 12.597 5.374 -3.447 1.00 0.00 C ATOM 1355 O GLU B 24 11.690 6.123 -3.789 1.00 0.00 O ATOM 1356 CB GLU B 24 14.411 6.350 -2.001 1.00 0.00 C ATOM 1357 CG GLU B 24 15.774 7.053 -1.854 1.00 0.00 C ATOM 1358 CD GLU B 24 16.974 6.125 -2.081 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.267 5.305 -1.189 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.623 6.197 -3.144 1.00 0.00 O ATOM 0 H GLU B 24 14.112 7.937 -3.910 1.00 0.00 H new ATOM 0 HA GLU B 24 14.723 5.098 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.634 7.026 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.400 5.478 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.825 7.879 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU B 24 15.844 7.485 -0.856 1.00 0.00 H new ATOM 1367 N THR B 25 12.387 4.103 -3.088 1.00 0.00 N ATOM 1368 CA THR B 25 11.032 3.549 -2.875 1.00 0.00 C ATOM 1369 C THR B 25 10.893 3.102 -1.416 1.00 0.00 C ATOM 1370 O THR B 25 11.871 2.666 -0.795 1.00 0.00 O ATOM 1371 CB THR B 25 10.723 2.346 -3.825 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.029 2.699 -5.170 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.250 1.912 -3.756 1.00 0.00 C ATOM 0 H THR B 25 13.138 3.430 -2.936 1.00 0.00 H new ATOM 0 HA THR B 25 10.313 4.335 -3.105 1.00 0.00 H new ATOM 0 HB THR B 25 11.342 1.512 -3.494 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.439 2.208 -5.779 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.086 1.074 -4.433 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.007 1.609 -2.738 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.611 2.745 -4.048 1.00 0.00 H new ATOM 1381 N MET B 26 9.673 3.210 -0.887 1.00 0.00 N ATOM 1382 CA MET B 26 9.360 2.889 0.511 1.00 0.00 C ATOM 1383 C MET B 26 8.241 1.835 0.620 1.00 0.00 C ATOM 1384 O MET B 26 8.026 1.298 1.705 1.00 0.00 O ATOM 1385 CB MET B 26 9.048 4.198 1.291 1.00 0.00 C ATOM 1386 CG MET B 26 8.246 5.237 0.500 1.00 0.00 C ATOM 1387 SD MET B 26 6.652 4.631 -0.041 1.00 0.00 S ATOM 1388 CE MET B 26 5.850 4.421 1.530 1.00 0.00 C ATOM 0 H MET B 26 8.864 3.526 -1.421 1.00 0.00 H new ATOM 0 HA MET B 26 10.232 2.429 0.976 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.495 3.943 2.195 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.988 4.649 1.608 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.100 6.122 1.119 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.824 5.548 -0.370 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.127 3.608 1.464 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.595 4.183 2.290 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.336 5.343 1.802 1.00 0.00 H new ATOM 1398 N PHE B 27 7.520 1.538 -0.494 1.00 0.00 N ATOM 1399 CA PHE B 27 6.669 0.325 -0.563 1.00 0.00 C ATOM 1400 C PHE B 27 6.348 -0.083 -1.999 1.00 0.00 C ATOM 1401 O PHE B 27 6.404 0.722 -2.933 1.00 0.00 O ATOM 1402 CB PHE B 27 5.330 0.442 0.248 1.00 0.00 C ATOM 1403 CG PHE B 27 4.120 1.101 -0.459 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.987 2.470 -0.506 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.105 0.338 -1.039 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.904 3.078 -1.092 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.019 0.941 -1.644 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.917 2.317 -1.670 1.00 0.00 C ATOM 0 H PHE B 27 7.511 2.110 -1.339 1.00 0.00 H new ATOM 0 HA PHE B 27 7.276 -0.450 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE B 27 5.034 -0.561 0.555 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.536 1.006 1.158 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.759 3.086 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.170 -0.740 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.828 4.155 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.249 0.335 -2.097 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.069 2.791 -2.141 1.00 0.00 H new ATOM 1418 N SER B 28 5.954 -1.349 -2.092 1.00 0.00 N ATOM 1419 CA SER B 28 5.319 -1.957 -3.253 1.00 0.00 C ATOM 1420 C SER B 28 4.007 -2.568 -2.747 1.00 0.00 C ATOM 1421 O SER B 28 3.958 -3.094 -1.628 1.00 0.00 O ATOM 1422 CB SER B 28 6.239 -3.021 -3.899 1.00 0.00 C ATOM 1423 OG SER B 28 5.628 -3.608 -5.040 1.00 0.00 O ATOM 0 H SER B 28 6.075 -2.009 -1.323 1.00 0.00 H new ATOM 0 HA SER B 28 5.127 -1.221 -4.034 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.184 -2.561 -4.186 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.471 -3.796 -3.169 1.00 0.00 H new ATOM 0 HG SER B 28 6.232 -4.275 -5.428 1.00 0.00 H new ATOM 1429 N SER B 29 2.936 -2.456 -3.532 1.00 0.00 N ATOM 1430 CA SER B 29 1.612 -2.970 -3.144 1.00 0.00 C ATOM 1431 C SER B 29 1.382 -4.324 -3.812 1.00 0.00 C ATOM 1432 O SER B 29 2.237 -4.810 -4.555 1.00 0.00 O ATOM 1433 CB SER B 29 0.519 -1.953 -3.554 1.00 0.00 C ATOM 1434 OG SER B 29 -0.775 -2.389 -3.185 1.00 0.00 O ATOM 0 H SER B 29 2.955 -2.011 -4.449 1.00 0.00 H new ATOM 0 HA SER B 29 1.564 -3.104 -2.063 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.725 -0.991 -3.085 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.555 -1.797 -4.632 1.00 0.00 H new ATOM 0 HG SER B 29 -1.440 -1.971 -3.770 1.00 0.00 H new ATOM 1440 N GLU B 30 0.233 -4.943 -3.524 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.225 -6.140 -4.236 1.00 0.00 C ATOM 1442 C GLU B 30 -1.158 -5.719 -5.403 1.00 0.00 C ATOM 1443 O GLU B 30 -1.734 -6.572 -6.079 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.915 -7.125 -3.237 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.196 -7.236 -1.861 1.00 0.00 C ATOM 1446 CD GLU B 30 -0.588 -8.475 -1.035 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -1.688 -8.496 -0.456 1.00 0.00 O ATOM 1448 OE2 GLU B 30 0.208 -9.434 -0.949 1.00 0.00 O ATOM 0 H GLU B 30 -0.405 -4.629 -2.792 1.00 0.00 H new ATOM 0 HA GLU B 30 0.623 -6.671 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.943 -6.800 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.962 -8.114 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.881 -7.252 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.415 -6.342 -1.278 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.308 -4.379 -5.602 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.995 -3.790 -6.771 1.00 0.00 C ATOM 1457 C GLY B 31 -3.504 -3.671 -6.647 1.00 0.00 C ATOM 1458 O GLY B 31 -4.142 -3.027 -7.498 1.00 0.00 O ATOM 0 H GLY B 31 -0.952 -3.681 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.583 -2.797 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.766 -4.395 -7.649 1.00 0.00 H new ATOM 1462 N TYR B 32 -4.057 -4.362 -5.628 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.488 -4.372 -5.261 1.00 0.00 C ATOM 1464 C TYR B 32 -6.276 -5.343 -6.162 1.00 0.00 C ATOM 1465 O TYR B 32 -6.919 -6.275 -5.659 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.120 -2.945 -5.252 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.584 -2.899 -4.783 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.958 -3.432 -3.543 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.585 -2.321 -5.570 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.268 -3.389 -3.113 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.891 -2.278 -5.138 1.00 0.00 C ATOM 1472 CZ TYR B 32 -10.227 -2.812 -3.914 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.535 -2.769 -3.486 1.00 0.00 O ATOM 0 H TYR B 32 -3.496 -4.952 -5.014 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.553 -4.733 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.524 -2.301 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.061 -2.529 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -7.207 -3.885 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.329 -1.902 -6.532 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.539 -3.805 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.651 -1.826 -5.758 1.00 0.00 H new ATOM 0 HH TYR B 32 -12.087 -2.329 -4.165 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.203 -5.135 -7.487 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.903 -5.976 -8.472 1.00 0.00 C ATOM 1485 C LYS B 33 -6.170 -5.919 -9.827 1.00 0.00 C ATOM 1486 O LYS B 33 -5.766 -6.946 -10.368 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.380 -5.508 -8.614 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.276 -6.399 -9.505 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.523 -7.791 -8.890 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.409 -8.680 -9.775 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.663 -9.999 -9.147 1.00 0.00 N ATOM 0 H LYS B 33 -5.658 -4.381 -7.905 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.905 -7.011 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.824 -5.455 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.385 -4.496 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.232 -5.901 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.809 -6.515 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.566 -8.287 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.993 -7.674 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.358 -8.177 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.929 -8.824 -10.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.264 -10.572 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.759 -10.489 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -11.144 -9.862 -8.235 1.00 0.00 H new ATOM 1505 N ALA B 34 -5.991 -4.700 -10.348 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.333 -4.444 -11.653 1.00 0.00 C ATOM 1507 C ALA B 34 -4.824 -2.996 -11.679 1.00 0.00 C ATOM 1508 O ALA B 34 -4.882 -2.329 -10.641 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.306 -4.724 -12.806 1.00 0.00 C ATOM 0 H ALA B 34 -6.299 -3.849 -9.878 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.483 -5.114 -11.780 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -5.809 -4.532 -13.757 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -6.625 -5.765 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.176 -4.074 -12.714 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.326 -2.492 -12.841 1.00 0.00 N ATOM 1516 CA LYS B 35 -3.708 -1.148 -12.892 1.00 0.00 C ATOM 1517 C LYS B 35 -4.755 -0.031 -12.756 1.00 0.00 C ATOM 1518 O LYS B 35 -4.515 0.938 -12.053 1.00 0.00 O ATOM 1519 CB LYS B 35 -2.820 -0.928 -14.146 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.522 -0.814 -15.526 1.00 0.00 C ATOM 1521 CD LYS B 35 -3.841 -2.179 -16.148 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.326 -2.074 -17.601 1.00 0.00 C ATOM 1523 NZ LYS B 35 -4.473 -3.409 -18.233 1.00 0.00 N ATOM 0 H LYS B 35 -4.341 -2.987 -13.733 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.044 -1.098 -12.029 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.241 -0.018 -13.990 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.109 -1.752 -14.200 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.446 -0.247 -15.412 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -2.884 -0.250 -16.207 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -2.950 -2.806 -16.112 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -4.605 -2.676 -15.550 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.283 -1.552 -17.628 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.620 -1.475 -18.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -4.802 -3.295 -19.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -3.555 -3.897 -18.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -5.165 -3.972 -17.699 1.00 0.00 H new ATOM 1537 N ALA B 36 -5.916 -0.168 -13.432 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.037 0.794 -13.300 1.00 0.00 C ATOM 1539 C ALA B 36 -7.527 0.856 -11.846 1.00 0.00 C ATOM 1540 O ALA B 36 -7.761 1.936 -11.297 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.194 0.426 -14.236 1.00 0.00 C ATOM 0 H ALA B 36 -6.104 -0.936 -14.076 1.00 0.00 H new ATOM 0 HA ALA B 36 -6.668 1.779 -13.587 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.002 1.148 -14.118 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.845 0.438 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -8.560 -0.571 -13.988 1.00 0.00 H new ATOM 1547 N SER B 37 -7.638 -0.332 -11.231 1.00 0.00 N ATOM 1548 CA SER B 37 -7.997 -0.487 -9.814 1.00 0.00 C ATOM 1549 C SER B 37 -6.895 0.068 -8.896 1.00 0.00 C ATOM 1550 O SER B 37 -7.166 0.438 -7.751 1.00 0.00 O ATOM 1551 CB SER B 37 -8.231 -1.971 -9.508 1.00 0.00 C ATOM 1552 OG SER B 37 -9.156 -2.537 -10.417 1.00 0.00 O ATOM 0 H SER B 37 -7.479 -1.219 -11.708 1.00 0.00 H new ATOM 0 HA SER B 37 -8.909 0.079 -9.625 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.286 -2.511 -9.563 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.603 -2.082 -8.489 1.00 0.00 H new ATOM 0 HG SER B 37 -9.849 -3.021 -9.920 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.657 0.120 -9.425 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.509 0.675 -8.715 1.00 0.00 C ATOM 1560 C ALA B 38 -4.615 2.203 -8.659 1.00 0.00 C ATOM 1561 O ALA B 38 -4.312 2.770 -7.625 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.183 0.215 -9.342 1.00 0.00 C ATOM 0 H ALA B 38 -5.434 -0.225 -10.359 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.517 0.297 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.349 0.647 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.120 -0.872 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.138 0.544 -10.380 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.057 2.876 -9.767 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.393 4.324 -9.738 1.00 0.00 C ATOM 1570 C ILE B 39 -6.470 4.596 -8.671 1.00 0.00 C ATOM 1571 O ILE B 39 -6.304 5.492 -7.855 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.895 4.899 -11.147 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.726 5.064 -12.186 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.650 6.252 -11.002 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.343 3.826 -12.960 1.00 0.00 C ATOM 0 H ILE B 39 -5.185 2.438 -10.679 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.465 4.841 -9.495 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.590 4.150 -11.526 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.007 5.840 -12.898 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.844 5.423 -11.655 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.969 6.598 -11.985 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.524 6.115 -10.365 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.987 6.992 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.528 4.062 -13.644 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.022 3.049 -12.267 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.203 3.472 -13.529 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.554 3.792 -8.690 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.711 3.952 -7.770 1.00 0.00 C ATOM 1589 C HIS B 40 -8.259 3.831 -6.304 1.00 0.00 C ATOM 1590 O HIS B 40 -8.698 4.596 -5.415 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.813 2.908 -8.086 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.296 2.907 -9.517 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -10.865 1.805 -10.114 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.280 3.871 -10.473 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -11.180 2.097 -11.357 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -10.834 3.337 -11.596 1.00 0.00 N ATOM 0 H HIS B 40 -7.656 3.013 -9.341 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.129 4.947 -7.921 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.432 1.915 -7.846 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.665 3.090 -7.430 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.898 4.875 -10.363 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -11.646 1.426 -12.063 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -10.960 3.825 -12.483 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.327 2.891 -6.071 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.693 2.702 -4.778 1.00 0.00 C ATOM 1607 C ALA B 41 -5.908 3.967 -4.410 1.00 0.00 C ATOM 1608 O ALA B 41 -6.138 4.564 -3.374 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.791 1.457 -4.815 1.00 0.00 C ATOM 0 H ALA B 41 -6.998 2.243 -6.787 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.448 2.536 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.319 1.321 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.392 0.579 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.022 1.587 -5.577 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.048 4.419 -5.324 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.254 5.640 -5.143 1.00 0.00 C ATOM 1617 C ILE B 42 -5.155 6.882 -4.953 1.00 0.00 C ATOM 1618 O ILE B 42 -4.756 7.829 -4.285 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.239 5.827 -6.323 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.227 4.639 -6.330 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.482 7.172 -6.235 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.416 4.516 -7.590 1.00 0.00 C ATOM 0 H ILE B 42 -4.880 3.949 -6.214 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.674 5.530 -4.226 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.806 5.839 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.547 4.753 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.776 3.710 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.791 7.256 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.196 7.995 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.924 7.215 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.741 3.665 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.083 4.368 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.835 5.426 -7.739 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.407 6.825 -5.451 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.361 7.931 -5.283 1.00 0.00 C ATOM 1636 C GLU B 43 -7.715 8.090 -3.809 1.00 0.00 C ATOM 1637 O GLU B 43 -7.887 9.213 -3.355 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.632 7.750 -6.143 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.400 7.951 -7.653 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.678 7.819 -8.487 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.567 8.683 -8.357 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.807 6.853 -9.265 1.00 0.00 O ATOM 0 H GLU B 43 -6.776 6.028 -5.969 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.878 8.842 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.031 6.749 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.391 8.456 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.967 8.938 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.670 7.220 -8.002 1.00 0.00 H new ATOM 1649 N SER B 44 -7.769 6.963 -3.062 1.00 0.00 N ATOM 1650 CA SER B 44 -7.882 6.994 -1.582 1.00 0.00 C ATOM 1651 C SER B 44 -6.746 7.798 -0.945 1.00 0.00 C ATOM 1652 O SER B 44 -6.967 8.551 0.024 1.00 0.00 O ATOM 1653 CB SER B 44 -7.856 5.565 -1.006 1.00 0.00 C ATOM 1654 OG SER B 44 -9.088 4.898 -1.222 1.00 0.00 O ATOM 0 H SER B 44 -7.736 6.023 -3.457 1.00 0.00 H new ATOM 0 HA SER B 44 -8.832 7.475 -1.347 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.048 4.999 -1.469 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.645 5.606 0.063 1.00 0.00 H new ATOM 0 HG SER B 44 -9.478 4.645 -0.360 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.527 7.621 -1.495 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.325 8.220 -0.918 1.00 0.00 C ATOM 1662 C ILE B 45 -4.397 9.752 -1.041 1.00 0.00 C ATOM 1663 O ILE B 45 -4.051 10.482 -0.103 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.963 7.696 -1.556 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -3.001 6.173 -1.899 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.813 7.953 -0.574 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.025 5.233 -0.717 1.00 0.00 C ATOM 0 H ILE B 45 -5.358 7.068 -2.335 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.308 7.913 0.128 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.816 8.240 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.882 5.980 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.130 5.936 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.878 7.596 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.736 9.022 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.006 7.424 0.359 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.051 4.203 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.131 5.386 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.910 5.431 -0.113 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.902 10.222 -2.199 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.975 11.665 -2.530 1.00 0.00 C ATOM 1681 C LYS B 46 -5.896 12.438 -1.576 1.00 0.00 C ATOM 1682 O LYS B 46 -5.710 13.634 -1.344 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.449 11.902 -4.008 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.949 10.893 -5.078 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.456 10.495 -4.946 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.499 11.664 -5.018 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.547 12.344 -6.331 1.00 0.00 N ATOM 0 H LYS B 46 -5.271 9.616 -2.932 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.960 12.045 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.539 11.896 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.133 12.901 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.558 9.991 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -5.110 11.323 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.311 9.978 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.208 9.787 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.741 12.379 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.484 11.313 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.600 12.334 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -3.216 11.849 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.858 13.328 -6.201 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.874 11.720 -1.036 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.984 12.310 -0.252 1.00 0.00 C ATOM 1703 C ARG B 47 -7.523 12.830 1.135 1.00 0.00 C ATOM 1704 O ARG B 47 -7.751 13.996 1.464 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.139 11.288 -0.073 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.646 10.630 -1.365 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.050 11.629 -2.473 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.377 10.945 -3.743 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.061 11.382 -4.978 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -9.410 12.531 -5.149 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -10.406 10.668 -6.040 1.00 0.00 N ATOM 0 H ARG B 47 -6.931 10.705 -1.123 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.343 13.167 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.805 10.504 0.606 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.976 11.793 0.410 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.869 9.971 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.505 10.003 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.911 12.209 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.236 12.334 -2.640 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.887 10.064 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.144 13.092 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.177 12.850 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.910 9.789 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.168 10.997 -6.975 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.872 11.954 1.928 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.558 12.258 3.357 1.00 0.00 C ATOM 1727 C ASN B 48 -5.492 11.302 3.947 1.00 0.00 C ATOM 1728 O ASN B 48 -5.296 11.257 5.156 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.879 12.256 4.200 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.738 12.743 5.654 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.585 11.953 6.584 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.754 14.046 5.852 1.00 0.00 N ATOM 0 H ASN B 48 -6.552 11.037 1.616 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.116 13.253 3.402 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.613 12.884 3.695 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.280 11.243 4.212 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.638 14.420 6.794 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.883 14.680 5.063 1.00 0.00 H new ATOM 1739 N SER B 49 -4.764 10.570 3.090 1.00 0.00 N ATOM 1740 CA SER B 49 -3.756 9.585 3.550 1.00 0.00 C ATOM 1741 C SER B 49 -2.543 10.262 4.206 1.00 0.00 C ATOM 1742 O SER B 49 -1.952 9.715 5.146 1.00 0.00 O ATOM 1743 CB SER B 49 -3.302 8.718 2.392 1.00 0.00 C ATOM 1744 OG SER B 49 -2.528 7.620 2.811 1.00 0.00 O ATOM 0 H SER B 49 -4.849 10.637 2.076 1.00 0.00 H new ATOM 0 HA SER B 49 -4.234 8.962 4.306 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.175 8.357 1.849 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.721 9.323 1.695 1.00 0.00 H new ATOM 0 HG SER B 49 -2.535 7.569 3.790 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.189 11.459 3.709 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.160 12.305 4.329 1.00 0.00 C ATOM 1752 C ALA B 50 -1.584 12.810 5.728 1.00 0.00 C ATOM 1753 O ALA B 50 -0.747 13.294 6.489 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.800 13.457 3.393 1.00 0.00 C ATOM 0 H ALA B 50 -2.606 11.864 2.871 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.270 11.696 4.486 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.037 14.080 3.859 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.418 13.057 2.454 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.688 14.058 3.197 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.886 12.697 6.043 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.407 12.955 7.394 1.00 0.00 C ATOM 1762 C GLY B 51 -3.870 11.700 8.133 1.00 0.00 C ATOM 1763 O GLY B 51 -4.190 11.779 9.321 1.00 0.00 O ATOM 0 H GLY B 51 -3.603 12.425 5.370 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.632 13.446 7.983 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.243 13.651 7.323 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.899 10.545 7.436 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.404 9.261 7.976 1.00 0.00 C ATOM 1769 C ALA B 52 -3.489 8.683 9.063 1.00 0.00 C ATOM 1770 O ALA B 52 -2.293 8.516 8.840 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.547 8.242 6.844 1.00 0.00 C ATOM 0 H ALA B 52 -3.570 10.475 6.473 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.374 9.464 8.431 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.919 7.300 7.247 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.248 8.620 6.100 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.576 8.079 6.377 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.086 8.321 10.208 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.362 7.801 11.392 1.00 0.00 C ATOM 1779 C ASP B 53 -2.613 6.481 11.075 1.00 0.00 C ATOM 1780 O ASP B 53 -2.956 5.769 10.140 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.373 7.624 12.558 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.745 7.134 13.876 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.159 7.952 14.605 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.834 5.935 14.187 1.00 0.00 O ATOM 0 H ASP B 53 -5.095 8.379 10.346 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.596 8.518 11.687 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -4.871 8.577 12.739 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.143 6.916 12.251 1.00 0.00 H new ATOM 1789 N THR B 54 -1.551 6.201 11.829 1.00 0.00 N ATOM 1790 CA THR B 54 -0.725 4.993 11.644 1.00 0.00 C ATOM 1791 C THR B 54 -0.911 4.028 12.837 1.00 0.00 C ATOM 1792 O THR B 54 -0.359 4.248 13.919 1.00 0.00 O ATOM 1793 CB THR B 54 0.776 5.403 11.469 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.872 6.390 10.428 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.694 4.216 11.117 1.00 0.00 C ATOM 0 H THR B 54 -1.233 6.802 12.589 1.00 0.00 H new ATOM 0 HA THR B 54 -1.044 4.469 10.743 1.00 0.00 H new ATOM 0 HB THR B 54 1.114 5.797 12.428 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.809 6.654 10.313 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.720 4.569 11.010 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.647 3.472 11.912 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.365 3.767 10.180 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.742 2.987 12.642 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.019 1.957 13.662 1.00 0.00 C ATOM 1805 C VAL B 55 -1.182 0.695 13.387 1.00 0.00 C ATOM 1806 O VAL B 55 -1.240 0.153 12.277 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.544 1.561 13.668 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -3.854 0.497 14.743 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.439 2.800 13.852 1.00 0.00 C ATOM 0 H VAL B 55 -2.243 2.836 11.767 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.754 2.376 14.633 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.766 1.121 12.696 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -4.915 0.250 14.715 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.268 -0.401 14.546 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.598 0.889 15.727 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.486 2.496 13.852 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.201 3.283 14.800 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.265 3.500 13.034 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.411 0.246 14.401 1.00 0.00 N ATOM 1820 CA ASP B 56 0.355 -1.018 14.347 1.00 0.00 C ATOM 1821 C ASP B 56 -0.348 -2.096 15.206 1.00 0.00 C ATOM 1822 O ASP B 56 -0.381 -2.008 16.436 1.00 0.00 O ATOM 1823 CB ASP B 56 1.814 -0.791 14.825 1.00 0.00 C ATOM 1824 CG ASP B 56 2.766 -1.948 14.442 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.559 -3.093 14.909 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.719 -1.713 13.678 1.00 0.00 O ATOM 0 H ASP B 56 -0.302 0.750 15.281 1.00 0.00 H new ATOM 0 HA ASP B 56 0.392 -1.367 13.315 1.00 0.00 H new ATOM 0 HB2 ASP B 56 2.190 0.138 14.396 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.820 -0.667 15.908 1.00 0.00 H new ATOM 1831 N LEU B 57 -0.913 -3.103 14.532 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.641 -4.228 15.158 1.00 0.00 C ATOM 1833 C LEU B 57 -0.701 -5.380 15.572 1.00 0.00 C ATOM 1834 O LEU B 57 -1.076 -6.195 16.420 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.736 -4.790 14.191 1.00 0.00 C ATOM 1836 CG LEU B 57 -3.871 -3.808 13.729 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.557 -3.106 14.919 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.369 -2.784 12.698 1.00 0.00 C ATOM 0 H LEU B 57 -0.880 -3.166 13.515 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.108 -3.827 16.057 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.235 -5.168 13.300 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.208 -5.644 14.678 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.623 -4.425 13.237 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.334 -2.438 14.548 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.004 -3.854 15.574 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.819 -2.530 15.476 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.189 -2.127 12.409 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.566 -2.191 13.136 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -2.995 -3.307 11.818 1.00 0.00 H new ATOM 1850 N THR B 58 0.522 -5.447 14.996 1.00 0.00 N ATOM 1851 CA THR B 58 1.431 -6.590 15.231 1.00 0.00 C ATOM 1852 C THR B 58 2.479 -6.255 16.319 1.00 0.00 C ATOM 1853 O THR B 58 3.479 -6.958 16.480 1.00 0.00 O ATOM 1854 CB THR B 58 2.099 -7.085 13.900 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.768 -8.345 14.086 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.084 -6.067 13.320 1.00 0.00 C ATOM 0 H THR B 58 0.897 -4.732 14.373 1.00 0.00 H new ATOM 0 HA THR B 58 0.830 -7.419 15.605 1.00 0.00 H new ATOM 0 HB THR B 58 1.285 -7.210 13.186 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.164 -8.376 14.982 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.516 -6.462 12.400 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.560 -5.136 13.104 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.878 -5.877 14.042 1.00 0.00 H new ATOM 1864 N THR B 59 2.221 -5.183 17.090 1.00 0.00 N ATOM 1865 CA THR B 59 2.955 -4.893 18.335 1.00 0.00 C ATOM 1866 C THR B 59 2.413 -5.786 19.470 1.00 0.00 C ATOM 1867 O THR B 59 3.168 -6.209 20.354 1.00 0.00 O ATOM 1868 CB THR B 59 2.829 -3.377 18.737 1.00 0.00 C ATOM 1869 OG1 THR B 59 1.482 -2.930 18.510 1.00 0.00 O ATOM 1870 CG2 THR B 59 3.808 -2.475 17.963 1.00 0.00 C ATOM 0 H THR B 59 1.501 -4.496 16.869 1.00 0.00 H new ATOM 0 HA THR B 59 4.011 -5.106 18.168 1.00 0.00 H new ATOM 0 HB THR B 59 3.084 -3.300 19.794 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.387 -2.637 17.580 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.678 -1.440 18.280 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.831 -2.790 18.166 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.609 -2.555 16.894 1.00 0.00 H new