USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 777 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 97 SER OG : rot 180:sc= -0.0264 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.75) USER MOD Set 2.1: A 71 SER OG : rot -35:sc= 0.198 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 GLN : amide:sc= 0 X(o=0,f=0.069) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 37 TYR OH : rot -95:sc= 1.07 USER MOD Set 4.2: A 47 THR OG1 : rot -35:sc= 1.61 USER MOD Set 5.1: A 31 SER OG : rot -19:sc= 0.612 USER MOD Set 5.2: A 32 ASN : amide:sc= -4.78! C(o=-4.2!,f=-5.2!) USER MOD Set 6.1: A 28 SER OG : rot 64:sc= 0.983 USER MOD Set 6.2: A 72 ASN : amide:sc= -2.28! C(o=-1.3!,f=-12!) USER MOD Set 7.1: A 8 HIS : no HD1:sc= -2.78! K(o=-2.5!,f=0.56) USER MOD Set 7.2: A 9 SER OG : rot -54:sc= 0.269! USER MOD Single : A 1 ASN : amide:sc= 0.00475 K(o=0.0047,f=-2.1!) USER MOD Single : A 1 ASN N :NH3+ 175:sc= 0.00608 (180deg=0.00473) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -5.47! C(o=-5.5!,f=-7.8!) USER MOD Single : A 11 SER OG : rot 1:sc= 0.578 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.418! USER MOD Single : A 26 SER OG : rot -115:sc= 0.626 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.29 K(o=-1.3,f=-1.9) USER MOD Single : A 38 GLN : amide:sc= -4.72! C(o=-4.7!,f=-15!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.01 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.000437 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.02! K(o=-2!,f=-0.45) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -59:sc= 0.535 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -16:sc= 0.229 USER MOD Single : A 92 GLN : amide:sc= -2.84 X(o=-2.8,f=-2.9) USER MOD Single : A 93 SER OG : rot 180:sc= -0.346 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=0.000185 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 106 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 69.249 9.063 -16.394 1.00 0.00 N ATOM 2 CA ASN A 1 70.230 7.954 -16.227 1.00 0.00 C ATOM 3 C ASN A 1 70.958 8.132 -14.898 1.00 0.00 C ATOM 4 O ASN A 1 71.703 9.093 -14.709 1.00 0.00 O ATOM 5 CB ASN A 1 71.227 7.981 -17.389 1.00 0.00 C ATOM 6 CG ASN A 1 70.656 7.254 -18.602 1.00 0.00 C ATOM 7 OD1 ASN A 1 69.454 7.319 -18.858 1.00 0.00 O ATOM 8 ND2 ASN A 1 71.440 6.512 -19.335 1.00 0.00 N ATOM 0 H1 ASN A 1 68.808 8.998 -17.334 1.00 0.00 H new ATOM 0 H2 ASN A 1 68.514 8.990 -15.661 1.00 0.00 H new ATOM 0 H3 ASN A 1 69.739 9.976 -16.303 1.00 0.00 H new ATOM 0 HA ASN A 1 69.716 6.993 -16.227 1.00 0.00 H new ATOM 0 HB2 ASN A 1 71.459 9.013 -17.652 1.00 0.00 H new ATOM 0 HB3 ASN A 1 72.162 7.512 -17.084 1.00 0.00 H new ATOM 0 HD21 ASN A 1 71.057 5.986 -20.120 1.00 0.00 H new ATOM 0 HD22 ASN A 1 72.436 6.458 -19.123 1.00 0.00 H new ATOM 17 N PHE A 2 70.730 7.200 -13.978 1.00 0.00 N ATOM 18 CA PHE A 2 71.375 7.233 -12.670 1.00 0.00 C ATOM 19 C PHE A 2 72.574 6.293 -12.646 1.00 0.00 C ATOM 20 O PHE A 2 72.511 5.172 -13.153 1.00 0.00 O ATOM 21 CB PHE A 2 70.379 6.803 -11.592 1.00 0.00 C ATOM 22 CG PHE A 2 69.290 7.842 -11.477 1.00 0.00 C ATOM 23 CD1 PHE A 2 68.354 7.986 -12.508 1.00 0.00 C ATOM 24 CD2 PHE A 2 69.258 8.706 -10.376 1.00 0.00 C ATOM 25 CE1 PHE A 2 67.373 8.981 -12.431 1.00 0.00 C ATOM 26 CE2 PHE A 2 68.245 9.668 -10.276 1.00 0.00 C ATOM 27 CZ PHE A 2 67.311 9.815 -11.308 1.00 0.00 C ATOM 0 H PHE A 2 70.100 6.409 -14.115 1.00 0.00 H new ATOM 0 HA PHE A 2 71.714 8.251 -12.475 1.00 0.00 H new ATOM 0 HB2 PHE A 2 69.948 5.834 -11.844 1.00 0.00 H new ATOM 0 HB3 PHE A 2 70.889 6.686 -10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 2 68.389 7.328 -13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 2 70.012 8.631 -9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 2 66.665 9.105 -13.237 1.00 0.00 H new ATOM 0 HE2 PHE A 2 68.184 10.298 -9.401 1.00 0.00 H new ATOM 0 HZ PHE A 2 66.543 10.571 -11.238 1.00 0.00 H new ATOM 37 N MET A 3 73.682 6.781 -12.100 1.00 0.00 N ATOM 38 CA MET A 3 74.896 5.974 -12.018 1.00 0.00 C ATOM 39 C MET A 3 75.751 6.413 -10.831 1.00 0.00 C ATOM 40 O MET A 3 75.587 7.528 -10.335 1.00 0.00 O ATOM 41 CB MET A 3 75.720 6.112 -13.301 1.00 0.00 C ATOM 42 CG MET A 3 74.968 5.478 -14.473 1.00 0.00 C ATOM 43 SD MET A 3 76.055 5.389 -15.919 1.00 0.00 S ATOM 44 CE MET A 3 74.907 4.565 -17.051 1.00 0.00 C ATOM 0 H MET A 3 73.766 7.720 -11.711 1.00 0.00 H new ATOM 0 HA MET A 3 74.598 4.934 -11.887 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.913 7.165 -13.508 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.689 5.629 -13.175 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.626 4.479 -14.201 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.081 6.065 -14.709 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.392 4.415 -18.016 1.00 0.00 H new ATOM 0 HE2 MET A 3 74.617 3.599 -16.636 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.020 5.184 -17.183 1.00 0.00 H new ATOM 54 N LEU A 4 76.675 5.563 -10.381 1.00 0.00 N ATOM 55 CA LEU A 4 77.526 5.877 -9.240 1.00 0.00 C ATOM 56 C LEU A 4 78.992 5.753 -9.638 1.00 0.00 C ATOM 57 O LEU A 4 79.388 4.792 -10.297 1.00 0.00 O ATOM 58 CB LEU A 4 77.230 4.893 -8.106 1.00 0.00 C ATOM 59 CG LEU A 4 75.742 4.946 -7.732 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.245 3.557 -7.323 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.520 5.924 -6.576 1.00 0.00 C ATOM 0 H LEU A 4 76.851 4.647 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 4 77.326 6.897 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.500 3.882 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.840 5.136 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 4 75.183 5.285 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.188 3.611 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.378 2.864 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 4 75.815 3.205 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.461 5.952 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.094 5.598 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.848 6.920 -6.874 1.00 0.00 H new ATOM 73 N THR A 5 79.770 6.777 -9.305 1.00 0.00 N ATOM 74 CA THR A 5 81.193 6.799 -9.630 1.00 0.00 C ATOM 75 C THR A 5 82.026 6.494 -8.388 1.00 0.00 C ATOM 76 O THR A 5 81.928 7.191 -7.377 1.00 0.00 O ATOM 77 CB THR A 5 81.571 8.173 -10.188 1.00 0.00 C ATOM 78 OG1 THR A 5 80.963 8.349 -11.460 1.00 0.00 O ATOM 79 CG2 THR A 5 83.091 8.282 -10.333 1.00 0.00 C ATOM 0 H THR A 5 79.439 7.605 -8.809 1.00 0.00 H new ATOM 0 HA THR A 5 81.396 6.036 -10.381 1.00 0.00 H new ATOM 0 HB THR A 5 81.222 8.944 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.203 9.229 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.349 9.263 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.560 8.151 -9.358 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.448 7.509 -11.014 1.00 0.00 H new ATOM 87 N GLN A 6 82.889 5.487 -8.489 1.00 0.00 N ATOM 88 CA GLN A 6 83.737 5.083 -7.371 1.00 0.00 C ATOM 89 C GLN A 6 85.134 4.746 -7.890 1.00 0.00 C ATOM 90 O GLN A 6 85.273 4.313 -9.034 1.00 0.00 O ATOM 91 CB GLN A 6 83.120 3.881 -6.641 1.00 0.00 C ATOM 92 CG GLN A 6 81.649 3.717 -7.028 1.00 0.00 C ATOM 93 CD GLN A 6 81.040 2.551 -6.259 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.923 2.136 -6.562 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.747 1.936 -5.350 1.00 0.00 N ATOM 0 H GLN A 6 83.020 4.934 -9.336 1.00 0.00 H new ATOM 0 HA GLN A 6 83.814 5.904 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.671 2.974 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.205 4.019 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.102 4.634 -6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.563 3.542 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.673 2.284 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.373 1.107 -4.888 1.00 0.00 H new ATOM 104 N PRO A 7 86.124 4.726 -7.037 1.00 0.00 N ATOM 105 CA PRO A 7 87.521 4.414 -7.453 1.00 0.00 C ATOM 106 C PRO A 7 87.605 3.066 -8.165 1.00 0.00 C ATOM 107 O PRO A 7 86.695 2.244 -8.063 1.00 0.00 O ATOM 108 CB PRO A 7 88.330 4.411 -6.147 1.00 0.00 C ATOM 109 CG PRO A 7 87.367 4.689 -5.037 1.00 0.00 C ATOM 110 CD PRO A 7 86.103 5.272 -5.670 1.00 0.00 C ATOM 0 HA PRO A 7 87.904 5.142 -8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.821 3.449 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.114 5.168 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.137 3.775 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.797 5.390 -4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.206 4.969 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.120 6.362 -5.672 1.00 0.00 H new ATOM 118 N HIS A 8 88.637 2.902 -8.986 1.00 0.00 N ATOM 119 CA HIS A 8 88.824 1.660 -9.726 1.00 0.00 C ATOM 120 C HIS A 8 89.502 0.611 -8.850 1.00 0.00 C ATOM 121 O HIS A 8 89.252 -0.585 -8.998 1.00 0.00 O ATOM 122 CB HIS A 8 89.656 1.922 -10.984 1.00 0.00 C ATOM 123 CG HIS A 8 90.728 2.931 -10.676 1.00 0.00 C ATOM 124 ND1 HIS A 8 92.063 2.583 -10.560 1.00 0.00 N ATOM 125 CD2 HIS A 8 90.679 4.293 -10.495 1.00 0.00 C ATOM 126 CE1 HIS A 8 92.755 3.704 -10.298 1.00 0.00 C ATOM 127 NE2 HIS A 8 91.960 4.775 -10.235 1.00 0.00 N ATOM 0 H HIS A 8 89.353 3.609 -9.155 1.00 0.00 H new ATOM 0 HA HIS A 8 87.847 1.279 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 8 90.106 0.993 -11.335 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.016 2.289 -11.786 1.00 0.00 H new ATOM 0 HD2 HIS A 8 89.785 4.897 -10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.825 3.735 -10.156 1.00 0.00 H new ATOM 0 HE2 HIS A 8 92.232 5.738 -10.039 1.00 0.00 H new ATOM 135 N SER A 9 90.437 1.056 -8.016 1.00 0.00 N ATOM 136 CA SER A 9 91.175 0.130 -7.165 1.00 0.00 C ATOM 137 C SER A 9 91.846 0.875 -6.014 1.00 0.00 C ATOM 138 O SER A 9 92.120 2.071 -6.112 1.00 0.00 O ATOM 139 CB SER A 9 92.225 -0.611 -7.997 1.00 0.00 C ATOM 140 OG SER A 9 91.699 -0.878 -9.290 1.00 0.00 O ATOM 0 H SER A 9 90.699 2.036 -7.912 1.00 0.00 H new ATOM 0 HA SER A 9 90.475 -0.592 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 9 93.131 -0.011 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.503 -1.543 -7.506 1.00 0.00 H new ATOM 0 HG SER A 9 90.847 -1.355 -9.205 1.00 0.00 H new ATOM 146 N VAL A 10 92.093 0.165 -4.918 1.00 0.00 N ATOM 147 CA VAL A 10 92.724 0.771 -3.751 1.00 0.00 C ATOM 148 C VAL A 10 93.227 -0.302 -2.791 1.00 0.00 C ATOM 149 O VAL A 10 92.627 -1.370 -2.671 1.00 0.00 O ATOM 150 CB VAL A 10 91.728 1.689 -3.036 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.447 0.920 -2.695 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.363 2.231 -1.752 1.00 0.00 C ATOM 0 H VAL A 10 91.868 -0.824 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 10 93.578 1.360 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 10 91.474 2.519 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.748 1.585 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.992 0.547 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.689 0.081 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.654 2.884 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.625 1.400 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.262 2.795 -2.001 1.00 0.00 H new ATOM 162 N SER A 11 94.296 0.010 -2.065 1.00 0.00 N ATOM 163 CA SER A 11 94.882 -0.929 -1.114 1.00 0.00 C ATOM 164 C SER A 11 95.338 -0.193 0.141 1.00 0.00 C ATOM 165 O SER A 11 95.401 1.036 0.165 1.00 0.00 O ATOM 166 CB SER A 11 96.074 -1.650 -1.747 1.00 0.00 C ATOM 167 OG SER A 11 96.324 -2.856 -1.041 1.00 0.00 O ATOM 0 H SER A 11 94.776 0.909 -2.117 1.00 0.00 H new ATOM 0 HA SER A 11 94.124 -1.663 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.868 -1.865 -2.795 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.956 -1.010 -1.720 1.00 0.00 H new ATOM 0 HG SER A 11 95.670 -2.953 -0.318 1.00 0.00 H new ATOM 173 N GLU A 12 95.587 -0.950 1.205 1.00 0.00 N ATOM 174 CA GLU A 12 95.996 -0.355 2.472 1.00 0.00 C ATOM 175 C GLU A 12 96.763 -1.373 3.310 1.00 0.00 C ATOM 176 O GLU A 12 96.649 -2.580 3.093 1.00 0.00 O ATOM 177 CB GLU A 12 94.755 0.117 3.233 1.00 0.00 C ATOM 178 CG GLU A 12 95.160 1.070 4.359 1.00 0.00 C ATOM 179 CD GLU A 12 95.656 2.391 3.779 1.00 0.00 C ATOM 180 OE1 GLU A 12 95.407 2.631 2.609 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.354 3.099 4.487 1.00 0.00 O ATOM 0 H GLU A 12 95.514 -1.967 1.216 1.00 0.00 H new ATOM 0 HA GLU A 12 96.649 0.495 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.069 0.619 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.224 -0.741 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 12 94.309 1.250 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.942 0.615 4.967 1.00 0.00 H new ATOM 188 N SER A 13 97.602 -0.885 4.220 1.00 0.00 N ATOM 189 CA SER A 13 98.385 -1.768 5.079 1.00 0.00 C ATOM 190 C SER A 13 97.603 -2.115 6.345 1.00 0.00 C ATOM 191 O SER A 13 96.840 -1.289 6.846 1.00 0.00 O ATOM 192 CB SER A 13 99.702 -1.078 5.446 1.00 0.00 C ATOM 193 OG SER A 13 100.606 -1.189 4.357 1.00 0.00 O ATOM 0 H SER A 13 97.756 0.110 4.381 1.00 0.00 H new ATOM 0 HA SER A 13 98.595 -2.694 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.524 -0.029 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.130 -1.536 6.338 1.00 0.00 H new ATOM 0 HG SER A 13 101.450 -0.747 4.586 1.00 0.00 H new ATOM 199 N PRO A 14 97.865 -3.246 6.946 1.00 0.00 N ATOM 200 CA PRO A 14 97.138 -3.671 8.176 1.00 0.00 C ATOM 201 C PRO A 14 97.278 -2.625 9.278 1.00 0.00 C ATOM 202 O PRO A 14 98.376 -2.134 9.537 1.00 0.00 O ATOM 203 CB PRO A 14 97.772 -5.009 8.580 1.00 0.00 C ATOM 204 CG PRO A 14 98.819 -5.338 7.561 1.00 0.00 C ATOM 205 CD PRO A 14 98.715 -4.325 6.417 1.00 0.00 C ATOM 0 HA PRO A 14 96.067 -3.778 8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 14 98.213 -4.939 9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 14 97.017 -5.794 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.811 -5.301 8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.677 -6.351 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.697 -3.950 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.274 -4.776 5.528 1.00 0.00 H new ATOM 213 N GLY A 15 96.193 -2.395 10.010 1.00 0.00 N ATOM 214 CA GLY A 15 96.214 -1.479 11.146 1.00 0.00 C ATOM 215 C GLY A 15 95.763 -0.080 10.736 1.00 0.00 C ATOM 216 O GLY A 15 95.132 0.628 11.520 1.00 0.00 O ATOM 0 H GLY A 15 95.287 -2.831 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.563 -1.858 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.221 -1.432 11.560 1.00 0.00 H new ATOM 220 N LYS A 16 96.035 0.295 9.490 1.00 0.00 N ATOM 221 CA LYS A 16 95.629 1.604 8.994 1.00 0.00 C ATOM 222 C LYS A 16 94.118 1.643 8.784 1.00 0.00 C ATOM 223 O LYS A 16 93.383 0.829 9.342 1.00 0.00 O ATOM 224 CB LYS A 16 96.371 1.899 7.682 1.00 0.00 C ATOM 225 CG LYS A 16 97.112 3.239 7.736 1.00 0.00 C ATOM 226 CD LYS A 16 98.350 3.143 8.634 1.00 0.00 C ATOM 227 CE LYS A 16 99.294 4.330 8.400 1.00 0.00 C ATOM 228 NZ LYS A 16 99.549 5.007 9.702 1.00 0.00 N ATOM 0 H LYS A 16 96.530 -0.283 8.811 1.00 0.00 H new ATOM 0 HA LYS A 16 95.886 2.369 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 16 97.082 1.098 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.659 1.910 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.409 3.536 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 16 96.444 4.014 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.044 3.118 9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.877 2.210 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.232 3.986 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 16 98.851 5.030 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 100.188 5.814 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 98.650 5.346 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 99.987 4.334 10.363 1.00 0.00 H new ATOM 242 N THR A 17 93.663 2.620 8.004 1.00 0.00 N ATOM 243 CA THR A 17 92.244 2.763 7.689 1.00 0.00 C ATOM 244 C THR A 17 92.022 2.862 6.183 1.00 0.00 C ATOM 245 O THR A 17 92.949 3.136 5.422 1.00 0.00 O ATOM 246 CB THR A 17 91.681 4.020 8.357 1.00 0.00 C ATOM 247 OG1 THR A 17 92.533 5.120 8.069 1.00 0.00 O ATOM 248 CG2 THR A 17 91.579 3.846 9.877 1.00 0.00 C ATOM 0 H THR A 17 94.260 3.328 7.576 1.00 0.00 H new ATOM 0 HA THR A 17 91.730 1.879 8.065 1.00 0.00 H new ATOM 0 HB THR A 17 90.680 4.198 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 17 92.177 5.929 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.176 4.756 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.919 3.008 10.104 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.569 3.650 10.288 1.00 0.00 H new ATOM 256 N VAL A 18 90.783 2.631 5.761 1.00 0.00 N ATOM 257 CA VAL A 18 90.410 2.736 4.353 1.00 0.00 C ATOM 258 C VAL A 18 89.220 3.676 4.195 1.00 0.00 C ATOM 259 O VAL A 18 88.240 3.585 4.934 1.00 0.00 O ATOM 260 CB VAL A 18 90.098 1.338 3.810 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.262 1.419 2.531 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.400 0.586 3.515 1.00 0.00 C ATOM 0 H VAL A 18 90.015 2.368 6.378 1.00 0.00 H new ATOM 0 HA VAL A 18 91.237 3.154 3.779 1.00 0.00 H new ATOM 0 HB VAL A 18 89.527 0.803 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.055 0.413 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.322 1.929 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.813 1.973 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.167 -0.407 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.978 1.137 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.982 0.492 4.432 1.00 0.00 H new ATOM 272 N THR A 19 89.286 4.537 3.183 1.00 0.00 N ATOM 273 CA THR A 19 88.205 5.467 2.884 1.00 0.00 C ATOM 274 C THR A 19 87.659 5.179 1.489 1.00 0.00 C ATOM 275 O THR A 19 88.365 5.340 0.493 1.00 0.00 O ATOM 276 CB THR A 19 88.763 6.890 2.962 1.00 0.00 C ATOM 277 OG1 THR A 19 89.190 7.155 4.290 1.00 0.00 O ATOM 278 CG2 THR A 19 87.688 7.899 2.558 1.00 0.00 C ATOM 0 H THR A 19 90.085 4.608 2.552 1.00 0.00 H new ATOM 0 HA THR A 19 87.391 5.355 3.600 1.00 0.00 H new ATOM 0 HB THR A 19 89.608 6.982 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 19 89.549 8.065 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 19 88.096 8.908 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.365 7.697 1.537 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.836 7.812 3.232 1.00 0.00 H new ATOM 286 N ILE A 20 86.380 4.818 1.418 1.00 0.00 N ATOM 287 CA ILE A 20 85.724 4.570 0.137 1.00 0.00 C ATOM 288 C ILE A 20 84.652 5.624 -0.118 1.00 0.00 C ATOM 289 O ILE A 20 83.698 5.741 0.650 1.00 0.00 O ATOM 290 CB ILE A 20 85.075 3.184 0.150 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.100 2.130 0.573 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.540 2.851 -1.243 1.00 0.00 C ATOM 293 CD1 ILE A 20 87.361 2.214 -0.290 1.00 0.00 C ATOM 0 H ILE A 20 85.778 4.691 2.232 1.00 0.00 H new ATOM 0 HA ILE A 20 86.471 4.619 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 20 84.250 3.185 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.362 2.273 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.661 1.136 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.079 1.863 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.798 3.594 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.361 2.858 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 20 88.073 1.454 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 20 87.099 2.047 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 20 87.810 3.201 -0.182 1.00 0.00 H new ATOM 305 N SER A 21 84.783 6.358 -1.219 1.00 0.00 N ATOM 306 CA SER A 21 83.817 7.396 -1.565 1.00 0.00 C ATOM 307 C SER A 21 82.891 6.914 -2.679 1.00 0.00 C ATOM 308 O SER A 21 83.352 6.289 -3.633 1.00 0.00 O ATOM 309 CB SER A 21 84.565 8.657 -2.004 1.00 0.00 C ATOM 310 OG SER A 21 85.698 8.851 -1.170 1.00 0.00 O ATOM 0 H SER A 21 85.547 6.254 -1.886 1.00 0.00 H new ATOM 0 HA SER A 21 83.207 7.624 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.878 8.564 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 21 83.905 9.523 -1.946 1.00 0.00 H new ATOM 0 HG SER A 21 86.178 9.658 -1.452 1.00 0.00 H new ATOM 316 N CYS A 22 81.590 7.179 -2.561 1.00 0.00 N ATOM 317 CA CYS A 22 80.624 6.800 -3.594 1.00 0.00 C ATOM 318 C CYS A 22 79.889 8.069 -4.041 1.00 0.00 C ATOM 319 O CYS A 22 79.340 8.800 -3.218 1.00 0.00 O ATOM 320 CB CYS A 22 79.685 5.694 -3.063 1.00 0.00 C ATOM 321 SG CYS A 22 79.952 4.095 -3.898 1.00 0.00 S ATOM 0 H CYS A 22 81.179 7.656 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 22 81.117 6.373 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.842 5.572 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.649 6.004 -3.200 1.00 0.00 H new ATOM 326 N THR A 23 80.043 8.442 -5.313 1.00 0.00 N ATOM 327 CA THR A 23 79.443 9.667 -5.847 1.00 0.00 C ATOM 328 C THR A 23 78.343 9.319 -6.846 1.00 0.00 C ATOM 329 O THR A 23 78.566 8.540 -7.772 1.00 0.00 O ATOM 330 CB THR A 23 80.495 10.512 -6.575 1.00 0.00 C ATOM 331 OG1 THR A 23 81.621 10.693 -5.729 1.00 0.00 O ATOM 332 CG2 THR A 23 79.943 11.893 -6.952 1.00 0.00 C ATOM 0 H THR A 23 80.582 7.910 -5.996 1.00 0.00 H new ATOM 0 HA THR A 23 79.032 10.229 -5.009 1.00 0.00 H new ATOM 0 HB THR A 23 80.775 9.985 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.296 11.232 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.715 12.465 -7.466 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.081 11.774 -7.609 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.640 12.423 -6.049 1.00 0.00 H new ATOM 340 N GLY A 24 77.184 9.959 -6.712 1.00 0.00 N ATOM 341 CA GLY A 24 76.056 9.687 -7.597 1.00 0.00 C ATOM 342 C GLY A 24 75.953 10.743 -8.692 1.00 0.00 C ATOM 343 O GLY A 24 76.729 11.697 -8.720 1.00 0.00 O ATOM 0 H GLY A 24 77.002 10.667 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.172 8.701 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.132 9.666 -7.019 1.00 0.00 H new ATOM 347 N SER A 25 75.061 10.507 -9.650 1.00 0.00 N ATOM 348 CA SER A 25 74.883 11.419 -10.775 1.00 0.00 C ATOM 349 C SER A 25 73.573 12.186 -10.635 1.00 0.00 C ATOM 350 O SER A 25 73.505 13.202 -9.944 1.00 0.00 O ATOM 351 CB SER A 25 74.876 10.627 -12.084 1.00 0.00 C ATOM 352 OG SER A 25 73.762 9.749 -12.107 1.00 0.00 O ATOM 0 H SER A 25 74.450 9.691 -9.669 1.00 0.00 H new ATOM 0 HA SER A 25 75.709 12.131 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 25 74.831 11.309 -12.933 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.801 10.059 -12.181 1.00 0.00 H new ATOM 0 HG SER A 25 73.760 9.245 -12.947 1.00 0.00 H new ATOM 358 N SER A 26 72.532 11.686 -11.290 1.00 0.00 N ATOM 359 CA SER A 26 71.228 12.334 -11.254 1.00 0.00 C ATOM 360 C SER A 26 70.652 12.314 -9.843 1.00 0.00 C ATOM 361 O SER A 26 70.157 13.326 -9.346 1.00 0.00 O ATOM 362 CB SER A 26 70.282 11.590 -12.197 1.00 0.00 C ATOM 363 OG SER A 26 68.937 11.900 -11.864 1.00 0.00 O ATOM 0 H SER A 26 72.566 10.835 -11.851 1.00 0.00 H new ATOM 0 HA SER A 26 71.339 13.372 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.486 11.872 -13.230 1.00 0.00 H new ATOM 0 HB3 SER A 26 70.448 10.515 -12.121 1.00 0.00 H new ATOM 0 HG SER A 26 68.484 11.091 -11.546 1.00 0.00 H new ATOM 369 N GLY A 27 70.687 11.144 -9.214 1.00 0.00 N ATOM 370 CA GLY A 27 70.159 10.995 -7.863 1.00 0.00 C ATOM 371 C GLY A 27 71.208 11.386 -6.829 1.00 0.00 C ATOM 372 O GLY A 27 72.399 11.121 -7.000 1.00 0.00 O ATOM 0 H GLY A 27 71.073 10.290 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.273 11.618 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.848 9.963 -7.700 1.00 0.00 H new ATOM 376 N SER A 28 70.746 11.984 -5.735 1.00 0.00 N ATOM 377 CA SER A 28 71.632 12.383 -4.648 1.00 0.00 C ATOM 378 C SER A 28 71.672 11.302 -3.573 1.00 0.00 C ATOM 379 O SER A 28 70.650 10.699 -3.247 1.00 0.00 O ATOM 380 CB SER A 28 71.131 13.691 -4.033 1.00 0.00 C ATOM 381 OG SER A 28 71.982 14.067 -2.961 1.00 0.00 O ATOM 0 H SER A 28 69.762 12.203 -5.578 1.00 0.00 H new ATOM 0 HA SER A 28 72.636 12.524 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.112 14.476 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 28 70.109 13.569 -3.674 1.00 0.00 H new ATOM 0 HG SER A 28 72.879 14.258 -3.307 1.00 0.00 H new ATOM 387 N ILE A 29 72.844 11.117 -2.977 1.00 0.00 N ATOM 388 CA ILE A 29 73.005 10.098 -1.947 1.00 0.00 C ATOM 389 C ILE A 29 72.233 10.483 -0.690 1.00 0.00 C ATOM 390 O ILE A 29 72.203 9.731 0.284 1.00 0.00 O ATOM 391 CB ILE A 29 74.489 9.930 -1.602 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.123 11.303 -1.344 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.241 9.205 -2.731 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.627 11.953 -0.049 1.00 0.00 C ATOM 0 H ILE A 29 73.687 11.652 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 29 72.612 9.156 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 29 74.564 9.322 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 29 76.207 11.195 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.903 11.963 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.291 9.100 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.805 8.218 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.161 9.783 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.110 12.922 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.547 12.090 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.870 11.310 0.797 1.00 0.00 H new ATOM 406 N ALA A 30 71.581 11.640 -0.727 1.00 0.00 N ATOM 407 CA ALA A 30 70.790 12.115 0.404 1.00 0.00 C ATOM 408 C ALA A 30 69.303 11.991 0.092 1.00 0.00 C ATOM 409 O ALA A 30 68.482 11.825 0.994 1.00 0.00 O ATOM 410 CB ALA A 30 71.131 13.578 0.690 1.00 0.00 C ATOM 0 H ALA A 30 71.584 12.268 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 30 71.022 11.508 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.539 13.931 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.191 13.665 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.906 14.183 -0.189 1.00 0.00 H new ATOM 416 N SER A 31 68.975 12.019 -1.195 1.00 0.00 N ATOM 417 CA SER A 31 67.589 11.882 -1.624 1.00 0.00 C ATOM 418 C SER A 31 67.109 10.450 -1.419 1.00 0.00 C ATOM 419 O SER A 31 65.908 10.179 -1.430 1.00 0.00 O ATOM 420 CB SER A 31 67.463 12.254 -3.103 1.00 0.00 C ATOM 421 OG SER A 31 68.257 11.372 -3.882 1.00 0.00 O ATOM 0 H SER A 31 69.646 12.135 -1.955 1.00 0.00 H new ATOM 0 HA SER A 31 66.972 12.553 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.421 12.195 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.785 13.284 -3.259 1.00 0.00 H new ATOM 0 HG SER A 31 68.928 10.945 -3.310 1.00 0.00 H new ATOM 427 N ASN A 32 68.047 9.553 -1.133 1.00 0.00 N ATOM 428 CA ASN A 32 67.720 8.145 -0.927 1.00 0.00 C ATOM 429 C ASN A 32 68.732 7.506 0.021 1.00 0.00 C ATOM 430 O ASN A 32 69.808 8.056 0.256 1.00 0.00 O ATOM 431 CB ASN A 32 67.705 7.401 -2.268 1.00 0.00 C ATOM 432 CG ASN A 32 67.416 8.369 -3.411 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.341 8.798 -4.101 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.188 8.734 -3.661 1.00 0.00 N ATOM 0 H ASN A 32 69.038 9.775 -1.039 1.00 0.00 H new ATOM 0 HA ASN A 32 66.728 8.076 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.666 6.913 -2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 32 66.948 6.617 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.993 9.376 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.423 8.377 -3.088 1.00 0.00 H new ATOM 441 N TYR A 33 68.407 6.319 0.523 1.00 0.00 N ATOM 442 CA TYR A 33 69.297 5.620 1.444 1.00 0.00 C ATOM 443 C TYR A 33 70.341 4.822 0.670 1.00 0.00 C ATOM 444 O TYR A 33 70.081 4.379 -0.449 1.00 0.00 O ATOM 445 CB TYR A 33 68.486 4.674 2.333 1.00 0.00 C ATOM 446 CG TYR A 33 67.226 5.362 2.804 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.297 6.619 3.418 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.992 4.708 2.695 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.131 7.238 3.883 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.829 5.317 3.180 1.00 0.00 C ATOM 451 CZ TYR A 33 64.896 6.593 3.749 1.00 0.00 C ATOM 452 OH TYR A 33 63.746 7.208 4.198 1.00 0.00 O ATOM 0 H TYR A 33 67.541 5.824 0.310 1.00 0.00 H new ATOM 0 HA TYR A 33 69.804 6.358 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.232 3.770 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 33 69.084 4.365 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.252 7.111 3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.938 3.732 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.184 8.213 4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.882 4.803 3.115 1.00 0.00 H new ATOM 0 HH TYR A 33 62.976 6.626 4.028 1.00 0.00 H new ATOM 462 N VAL A 34 71.531 4.665 1.247 1.00 0.00 N ATOM 463 CA VAL A 34 72.614 3.942 0.586 1.00 0.00 C ATOM 464 C VAL A 34 73.118 2.818 1.484 1.00 0.00 C ATOM 465 O VAL A 34 73.224 2.980 2.699 1.00 0.00 O ATOM 466 CB VAL A 34 73.755 4.909 0.260 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.981 4.139 -0.242 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.287 5.893 -0.815 1.00 0.00 C ATOM 0 H VAL A 34 71.769 5.029 2.170 1.00 0.00 H new ATOM 0 HA VAL A 34 72.240 3.507 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 34 74.033 5.452 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.783 4.841 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.315 3.444 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.718 3.584 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.095 6.585 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.005 5.344 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.427 6.452 -0.447 1.00 0.00 H new ATOM 478 N GLN A 35 73.372 1.656 0.891 1.00 0.00 N ATOM 479 CA GLN A 35 73.864 0.503 1.639 1.00 0.00 C ATOM 480 C GLN A 35 75.208 0.055 1.076 1.00 0.00 C ATOM 481 O GLN A 35 75.649 0.553 0.041 1.00 0.00 O ATOM 482 CB GLN A 35 72.876 -0.661 1.538 1.00 0.00 C ATOM 483 CG GLN A 35 71.479 -0.204 1.961 1.00 0.00 C ATOM 484 CD GLN A 35 70.478 -1.330 1.728 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.866 -2.494 1.625 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.216 -1.045 1.561 1.00 0.00 N ATOM 0 H GLN A 35 73.245 1.487 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 35 73.975 0.795 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.850 -1.038 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.205 -1.484 2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.482 0.081 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.187 0.679 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.895 -0.081 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 35 68.550 -1.787 1.345 1.00 0.00 H new ATOM 495 N TRP A 36 75.930 -0.750 1.850 1.00 0.00 N ATOM 496 CA TRP A 36 77.260 -1.207 1.456 1.00 0.00 C ATOM 497 C TRP A 36 77.313 -2.730 1.396 1.00 0.00 C ATOM 498 O TRP A 36 76.562 -3.416 2.089 1.00 0.00 O ATOM 499 CB TRP A 36 78.292 -0.696 2.464 1.00 0.00 C ATOM 500 CG TRP A 36 78.203 0.794 2.547 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.186 1.476 3.121 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.129 1.797 2.033 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.431 2.831 3.005 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.624 3.081 2.360 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.376 1.722 1.390 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.313 4.250 2.015 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.028 2.889 0.971 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.522 4.149 1.317 1.00 0.00 C ATOM 0 H TRP A 36 75.616 -1.100 2.755 1.00 0.00 H new ATOM 0 HA TRP A 36 77.485 -0.815 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.111 -1.138 3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.295 -0.996 2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.322 1.033 3.594 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.806 3.558 3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.834 0.759 1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.916 5.218 2.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.927 2.817 0.377 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.065 5.042 1.045 1.00 0.00 H new ATOM 519 N TYR A 37 78.155 -3.248 0.507 1.00 0.00 N ATOM 520 CA TYR A 37 78.265 -4.687 0.287 1.00 0.00 C ATOM 521 C TYR A 37 79.714 -5.054 -0.014 1.00 0.00 C ATOM 522 O TYR A 37 80.477 -4.239 -0.533 1.00 0.00 O ATOM 523 CB TYR A 37 77.352 -5.121 -0.868 1.00 0.00 C ATOM 524 CG TYR A 37 76.015 -5.594 -0.346 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.010 -4.666 -0.049 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.814 -6.954 -0.084 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.780 -5.108 0.453 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.585 -7.395 0.421 1.00 0.00 C ATOM 529 CZ TYR A 37 73.564 -6.472 0.681 1.00 0.00 C ATOM 530 OH TYR A 37 72.351 -6.905 1.176 1.00 0.00 O ATOM 0 H TYR A 37 78.776 -2.688 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 37 77.949 -5.209 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.205 -4.287 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.830 -5.920 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.183 -3.612 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.607 -7.663 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.997 -4.395 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.424 -8.446 0.610 1.00 0.00 H new ATOM 0 HH TYR A 37 72.406 -6.986 2.151 1.00 0.00 H new ATOM 540 N GLN A 38 80.071 -6.301 0.277 1.00 0.00 N ATOM 541 CA GLN A 38 81.415 -6.799 0.002 1.00 0.00 C ATOM 542 C GLN A 38 81.299 -8.140 -0.713 1.00 0.00 C ATOM 543 O GLN A 38 80.742 -9.086 -0.158 1.00 0.00 O ATOM 544 CB GLN A 38 82.172 -6.960 1.330 1.00 0.00 C ATOM 545 CG GLN A 38 83.430 -6.088 1.377 1.00 0.00 C ATOM 546 CD GLN A 38 84.537 -6.710 0.534 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.319 -7.714 -0.144 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.737 -6.200 0.593 1.00 0.00 N ATOM 0 H GLN A 38 79.448 -6.986 0.704 1.00 0.00 H new ATOM 0 HA GLN A 38 81.963 -6.101 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.514 -6.694 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.449 -8.005 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.201 -5.088 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.767 -5.979 2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.910 -5.368 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.501 -6.634 0.075 1.00 0.00 H new ATOM 557 N GLN A 39 82.055 -8.288 -1.798 1.00 0.00 N ATOM 558 CA GLN A 39 82.019 -9.520 -2.580 1.00 0.00 C ATOM 559 C GLN A 39 83.393 -10.177 -2.595 1.00 0.00 C ATOM 560 O GLN A 39 84.293 -9.753 -3.319 1.00 0.00 O ATOM 561 CB GLN A 39 81.563 -9.235 -4.013 1.00 0.00 C ATOM 562 CG GLN A 39 81.711 -10.493 -4.880 1.00 0.00 C ATOM 563 CD GLN A 39 80.577 -10.595 -5.896 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.281 -9.629 -6.598 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.884 -11.699 -5.969 1.00 0.00 N ATOM 0 H GLN A 39 82.694 -7.577 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 39 81.305 -10.200 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 39 80.524 -8.906 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.154 -8.423 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.669 -10.470 -5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.715 -11.378 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 39 80.133 -12.497 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.093 -11.763 -6.610 1.00 0.00 H new ATOM 574 N ARG A 40 83.563 -11.159 -1.715 1.00 0.00 N ATOM 575 CA ARG A 40 84.822 -11.886 -1.611 1.00 0.00 C ATOM 576 C ARG A 40 84.859 -13.062 -2.585 1.00 0.00 C ATOM 577 O ARG A 40 83.892 -13.822 -2.657 1.00 0.00 O ATOM 578 CB ARG A 40 85.000 -12.382 -0.174 1.00 0.00 C ATOM 579 CG ARG A 40 84.947 -11.205 0.812 1.00 0.00 C ATOM 580 CD ARG A 40 83.992 -11.501 1.972 1.00 0.00 C ATOM 581 NE ARG A 40 84.086 -10.449 2.980 1.00 0.00 N ATOM 582 CZ ARG A 40 84.294 -10.726 4.265 1.00 0.00 C ATOM 583 NH1 ARG A 40 83.777 -11.806 4.785 1.00 0.00 N ATOM 584 NH2 ARG A 40 85.089 -9.975 4.976 1.00 0.00 N ATOM 0 H ARG A 40 82.843 -11.469 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 40 85.639 -11.213 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.218 -13.102 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 40 85.953 -12.902 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.946 -11.007 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 40 84.623 -10.304 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 40 82.969 -11.571 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.236 -12.465 2.418 1.00 0.00 H new ATOM 0 HE ARG A 40 83.990 -9.475 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 40 83.217 -12.433 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 40 83.933 -12.023 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.552 -9.174 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.247 -10.189 5.961 1.00 0.00 H new ATOM 598 N PRO A 41 85.944 -13.293 -3.281 1.00 0.00 N ATOM 599 CA PRO A 41 86.014 -14.426 -4.245 1.00 0.00 C ATOM 600 C PRO A 41 85.753 -15.755 -3.539 1.00 0.00 C ATOM 601 O PRO A 41 86.200 -15.966 -2.412 1.00 0.00 O ATOM 602 CB PRO A 41 87.427 -14.373 -4.844 1.00 0.00 C ATOM 603 CG PRO A 41 88.138 -13.209 -4.227 1.00 0.00 C ATOM 604 CD PRO A 41 87.153 -12.454 -3.329 1.00 0.00 C ATOM 0 HA PRO A 41 85.255 -14.345 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.963 -15.300 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 41 87.380 -14.262 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.993 -13.553 -3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.526 -12.548 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.567 -12.304 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.930 -11.467 -3.734 1.00 0.00 H new ATOM 612 N GLY A 42 85.064 -16.660 -4.226 1.00 0.00 N ATOM 613 CA GLY A 42 84.803 -17.987 -3.681 1.00 0.00 C ATOM 614 C GLY A 42 83.608 -17.960 -2.735 1.00 0.00 C ATOM 615 O GLY A 42 83.039 -19.002 -2.410 1.00 0.00 O ATOM 0 H GLY A 42 84.678 -16.500 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.613 -18.688 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.684 -18.347 -3.150 1.00 0.00 H new ATOM 619 N SER A 43 83.171 -16.758 -2.369 1.00 0.00 N ATOM 620 CA SER A 43 82.037 -16.596 -1.464 1.00 0.00 C ATOM 621 C SER A 43 81.074 -15.546 -2.008 1.00 0.00 C ATOM 622 O SER A 43 81.454 -14.706 -2.824 1.00 0.00 O ATOM 623 CB SER A 43 82.538 -16.185 -0.077 1.00 0.00 C ATOM 624 OG SER A 43 82.938 -17.343 0.641 1.00 0.00 O ATOM 0 H SER A 43 83.585 -15.881 -2.686 1.00 0.00 H new ATOM 0 HA SER A 43 81.507 -17.545 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.376 -15.494 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 43 81.751 -15.661 0.466 1.00 0.00 H new ATOM 0 HG SER A 43 83.261 -17.082 1.529 1.00 0.00 H new ATOM 630 N SER A 44 79.829 -15.597 -1.545 1.00 0.00 N ATOM 631 CA SER A 44 78.803 -14.674 -2.018 1.00 0.00 C ATOM 632 C SER A 44 78.999 -13.303 -1.373 1.00 0.00 C ATOM 633 O SER A 44 79.831 -13.162 -0.478 1.00 0.00 O ATOM 634 CB SER A 44 77.415 -15.246 -1.706 1.00 0.00 C ATOM 635 OG SER A 44 76.690 -15.420 -2.915 1.00 0.00 O ATOM 0 H SER A 44 79.507 -16.265 -0.845 1.00 0.00 H new ATOM 0 HA SER A 44 78.887 -14.551 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.512 -16.200 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.875 -14.574 -1.039 1.00 0.00 H new ATOM 0 HG SER A 44 75.804 -15.787 -2.715 1.00 0.00 H new ATOM 641 N PRO A 45 78.192 -12.330 -1.709 1.00 0.00 N ATOM 642 CA PRO A 45 78.292 -10.968 -1.112 1.00 0.00 C ATOM 643 C PRO A 45 77.751 -10.925 0.315 1.00 0.00 C ATOM 644 O PRO A 45 76.863 -11.698 0.674 1.00 0.00 O ATOM 645 CB PRO A 45 77.487 -10.062 -2.054 1.00 0.00 C ATOM 646 CG PRO A 45 77.030 -10.922 -3.189 1.00 0.00 C ATOM 647 CD PRO A 45 77.118 -12.374 -2.715 1.00 0.00 C ATOM 0 HA PRO A 45 79.329 -10.644 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.636 -9.622 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.101 -9.237 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 45 76.009 -10.671 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.655 -10.765 -4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.176 -12.716 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 45 77.360 -13.052 -3.534 1.00 0.00 H new ATOM 655 N THR A 46 78.219 -9.951 1.091 1.00 0.00 N ATOM 656 CA THR A 46 77.746 -9.760 2.459 1.00 0.00 C ATOM 657 C THR A 46 77.550 -8.278 2.756 1.00 0.00 C ATOM 658 O THR A 46 78.403 -7.452 2.431 1.00 0.00 O ATOM 659 CB THR A 46 78.759 -10.346 3.444 1.00 0.00 C ATOM 660 OG1 THR A 46 79.900 -9.504 3.507 1.00 0.00 O ATOM 661 CG2 THR A 46 79.176 -11.741 2.973 1.00 0.00 C ATOM 0 H THR A 46 78.928 -9.280 0.795 1.00 0.00 H new ATOM 0 HA THR A 46 76.790 -10.271 2.568 1.00 0.00 H new ATOM 0 HB THR A 46 78.307 -10.417 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.548 -9.878 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.898 -12.161 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.299 -12.386 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.629 -11.671 1.984 1.00 0.00 H new ATOM 669 N THR A 47 76.398 -7.940 3.325 1.00 0.00 N ATOM 670 CA THR A 47 76.111 -6.554 3.678 1.00 0.00 C ATOM 671 C THR A 47 77.106 -6.049 4.718 1.00 0.00 C ATOM 672 O THR A 47 77.111 -6.514 5.858 1.00 0.00 O ATOM 673 CB THR A 47 74.684 -6.441 4.220 1.00 0.00 C ATOM 674 OG1 THR A 47 73.774 -6.935 3.249 1.00 0.00 O ATOM 675 CG2 THR A 47 74.345 -4.981 4.532 1.00 0.00 C ATOM 0 H THR A 47 75.654 -8.600 3.550 1.00 0.00 H new ATOM 0 HA THR A 47 76.205 -5.939 2.783 1.00 0.00 H new ATOM 0 HB THR A 47 74.607 -7.025 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 47 74.097 -6.708 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.327 -4.918 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 47 75.040 -4.598 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.427 -4.386 3.622 1.00 0.00 H new ATOM 683 N VAL A 48 77.787 -4.955 4.389 1.00 0.00 N ATOM 684 CA VAL A 48 78.763 -4.372 5.303 1.00 0.00 C ATOM 685 C VAL A 48 78.082 -3.346 6.201 1.00 0.00 C ATOM 686 O VAL A 48 78.325 -3.309 7.408 1.00 0.00 O ATOM 687 CB VAL A 48 79.895 -3.707 4.510 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.879 -3.004 5.460 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.612 -4.758 3.647 1.00 0.00 C ATOM 0 H VAL A 48 77.682 -4.458 3.504 1.00 0.00 H new ATOM 0 HA VAL A 48 79.186 -5.163 5.923 1.00 0.00 H new ATOM 0 HB VAL A 48 79.472 -2.949 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.675 -2.538 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.351 -2.240 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.309 -3.735 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.415 -4.281 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 48 81.029 -5.533 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.901 -5.206 2.953 1.00 0.00 H new ATOM 699 N ILE A 49 77.218 -2.521 5.615 1.00 0.00 N ATOM 700 CA ILE A 49 76.469 -1.520 6.371 1.00 0.00 C ATOM 701 C ILE A 49 75.070 -1.363 5.784 1.00 0.00 C ATOM 702 O ILE A 49 74.767 -1.922 4.730 1.00 0.00 O ATOM 703 CB ILE A 49 77.210 -0.179 6.346 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.526 -0.331 7.114 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.349 0.918 6.981 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.309 0.979 7.068 1.00 0.00 C ATOM 0 H ILE A 49 77.018 -2.526 4.615 1.00 0.00 H new ATOM 0 HA ILE A 49 76.380 -1.850 7.406 1.00 0.00 H new ATOM 0 HB ILE A 49 77.416 0.107 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.323 -0.608 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 49 79.120 -1.135 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.889 1.865 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.417 1.017 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 49 76.128 0.654 8.015 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.244 0.864 7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.526 1.237 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.717 1.773 7.523 1.00 0.00 H new ATOM 718 N TYR A 50 74.210 -0.629 6.485 1.00 0.00 N ATOM 719 CA TYR A 50 72.831 -0.428 6.051 1.00 0.00 C ATOM 720 C TYR A 50 72.402 1.025 6.236 1.00 0.00 C ATOM 721 O TYR A 50 72.860 1.714 7.148 1.00 0.00 O ATOM 722 CB TYR A 50 71.897 -1.338 6.853 1.00 0.00 C ATOM 723 CG TYR A 50 70.515 -1.292 6.247 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.260 -1.945 5.035 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.491 -0.588 6.891 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.971 -1.925 4.491 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.218 -0.517 6.315 1.00 0.00 C ATOM 728 CZ TYR A 50 67.952 -1.205 5.126 1.00 0.00 C ATOM 729 OH TYR A 50 66.696 -1.140 4.557 1.00 0.00 O ATOM 0 H TYR A 50 74.446 -0.162 7.360 1.00 0.00 H new ATOM 0 HA TYR A 50 72.771 -0.675 4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.275 -2.360 6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.861 -1.016 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.056 -2.463 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.684 -0.099 7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 50 68.762 -2.466 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.442 0.068 6.787 1.00 0.00 H new ATOM 0 HH TYR A 50 66.107 -0.602 5.126 1.00 0.00 H new ATOM 739 N GLU A 51 71.524 1.478 5.347 1.00 0.00 N ATOM 740 CA GLU A 51 71.007 2.842 5.372 1.00 0.00 C ATOM 741 C GLU A 51 72.119 3.866 5.582 1.00 0.00 C ATOM 742 O GLU A 51 71.872 4.978 6.048 1.00 0.00 O ATOM 743 CB GLU A 51 69.987 2.968 6.509 1.00 0.00 C ATOM 744 CG GLU A 51 68.894 3.974 6.139 1.00 0.00 C ATOM 745 CD GLU A 51 67.899 4.127 7.284 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.412 3.117 7.764 1.00 0.00 O ATOM 747 OE2 GLU A 51 67.614 5.257 7.641 1.00 0.00 O ATOM 0 H GLU A 51 71.150 0.909 4.588 1.00 0.00 H new ATOM 0 HA GLU A 51 70.540 3.045 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.540 1.995 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 70.489 3.287 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 51 69.344 4.940 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.375 3.642 5.240 1.00 0.00 H new ATOM 754 N ASP A 52 73.348 3.470 5.275 1.00 0.00 N ATOM 755 CA ASP A 52 74.499 4.354 5.416 1.00 0.00 C ATOM 756 C ASP A 52 74.462 5.059 6.771 1.00 0.00 C ATOM 757 O ASP A 52 75.123 6.081 6.959 1.00 0.00 O ATOM 758 CB ASP A 52 74.515 5.384 4.280 1.00 0.00 C ATOM 759 CG ASP A 52 75.915 5.538 3.691 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.871 5.370 4.433 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.012 5.733 2.491 1.00 0.00 O ATOM 0 H ASP A 52 73.574 2.539 4.925 1.00 0.00 H new ATOM 0 HA ASP A 52 75.409 3.757 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.821 5.077 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.168 6.347 4.654 1.00 0.00 H new ATOM 766 N ASN A 53 73.699 4.512 7.713 1.00 0.00 N ATOM 767 CA ASN A 53 73.574 5.107 9.041 1.00 0.00 C ATOM 768 C ASN A 53 74.208 4.215 10.103 1.00 0.00 C ATOM 769 O ASN A 53 74.559 4.687 11.184 1.00 0.00 O ATOM 770 CB ASN A 53 72.100 5.342 9.377 1.00 0.00 C ATOM 771 CG ASN A 53 71.541 6.473 8.518 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.337 6.521 8.262 1.00 0.00 O ATOM 773 ND2 ASN A 53 72.342 7.396 8.059 1.00 0.00 N ATOM 0 H ASN A 53 73.158 3.658 7.582 1.00 0.00 H new ATOM 0 HA ASN A 53 74.100 6.062 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.530 4.429 9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.995 5.591 10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.971 8.156 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.339 7.357 8.270 1.00 0.00 H new ATOM 780 N GLN A 54 74.363 2.937 9.776 1.00 0.00 N ATOM 781 CA GLN A 54 74.906 1.968 10.722 1.00 0.00 C ATOM 782 C GLN A 54 74.717 0.554 10.184 1.00 0.00 C ATOM 783 O GLN A 54 73.955 0.328 9.245 1.00 0.00 O ATOM 784 CB GLN A 54 74.213 2.091 12.084 1.00 0.00 C ATOM 785 CG GLN A 54 72.717 2.377 11.902 1.00 0.00 C ATOM 786 CD GLN A 54 71.893 1.664 12.970 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.536 2.262 13.985 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.649 0.389 12.839 1.00 0.00 N ATOM 0 H GLN A 54 74.121 2.548 8.865 1.00 0.00 H new ATOM 0 HA GLN A 54 75.969 2.173 10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.347 1.170 12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.674 2.891 12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.539 3.451 11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.398 2.050 10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.946 -0.103 11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.161 -0.116 13.579 1.00 0.00 H new ATOM 797 N ARG A 55 75.361 -0.406 10.840 1.00 0.00 N ATOM 798 CA ARG A 55 75.294 -1.801 10.419 1.00 0.00 C ATOM 799 C ARG A 55 74.396 -2.588 11.371 1.00 0.00 C ATOM 800 O ARG A 55 74.370 -2.292 12.566 1.00 0.00 O ATOM 801 CB ARG A 55 76.711 -2.380 10.432 1.00 0.00 C ATOM 802 CG ARG A 55 77.195 -2.558 11.875 1.00 0.00 C ATOM 803 CD ARG A 55 78.724 -2.522 11.953 1.00 0.00 C ATOM 804 NE ARG A 55 79.185 -1.170 12.248 1.00 0.00 N ATOM 805 CZ ARG A 55 78.710 -0.118 11.588 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.134 0.146 10.382 1.00 0.00 N ATOM 807 NH2 ARG A 55 77.847 0.674 12.163 1.00 0.00 N ATOM 0 H ARG A 55 75.936 -0.243 11.667 1.00 0.00 H new ATOM 0 HA ARG A 55 74.876 -1.869 9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.725 -3.339 9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.388 -1.717 9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.777 -1.770 12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.830 -3.506 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.072 -3.208 12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.151 -2.861 11.009 1.00 0.00 H new ATOM 0 HE ARG A 55 79.886 -1.029 12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.831 -0.455 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.768 0.954 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.538 0.485 13.117 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.481 1.482 11.659 1.00 0.00 H new ATOM 821 N PRO A 56 73.796 -3.663 10.933 1.00 0.00 N ATOM 822 CA PRO A 56 72.919 -4.475 11.822 1.00 0.00 C ATOM 823 C PRO A 56 73.689 -4.931 13.058 1.00 0.00 C ATOM 824 O PRO A 56 74.916 -4.841 13.092 1.00 0.00 O ATOM 825 CB PRO A 56 72.466 -5.662 10.961 1.00 0.00 C ATOM 826 CG PRO A 56 73.157 -5.535 9.639 1.00 0.00 C ATOM 827 CD PRO A 56 73.700 -4.108 9.532 1.00 0.00 C ATOM 0 HA PRO A 56 72.064 -3.911 12.194 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.723 -6.606 11.441 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.384 -5.654 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.968 -6.259 9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.464 -5.742 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.671 -4.085 9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.033 -3.468 8.954 1.00 0.00 H new ATOM 835 N SER A 57 72.965 -5.220 14.133 1.00 0.00 N ATOM 836 CA SER A 57 73.604 -5.740 15.335 1.00 0.00 C ATOM 837 C SER A 57 74.080 -7.170 15.102 1.00 0.00 C ATOM 838 O SER A 57 73.288 -8.039 14.738 1.00 0.00 O ATOM 839 CB SER A 57 72.635 -5.670 16.518 1.00 0.00 C ATOM 840 OG SER A 57 72.875 -4.475 17.248 1.00 0.00 O ATOM 0 H SER A 57 71.953 -5.106 14.198 1.00 0.00 H new ATOM 0 HA SER A 57 74.474 -5.127 15.570 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.605 -5.692 16.162 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.768 -6.538 17.164 1.00 0.00 H new ATOM 0 HG SER A 57 72.256 -4.425 18.006 1.00 0.00 H new ATOM 846 N GLY A 58 75.297 -7.451 15.556 1.00 0.00 N ATOM 847 CA GLY A 58 75.844 -8.804 15.507 1.00 0.00 C ATOM 848 C GLY A 58 77.001 -8.897 14.516 1.00 0.00 C ATOM 849 O GLY A 58 77.988 -9.585 14.778 1.00 0.00 O ATOM 0 H GLY A 58 75.925 -6.758 15.963 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.188 -9.096 16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.060 -9.506 15.222 1.00 0.00 H new ATOM 853 N VAL A 59 76.887 -8.214 13.380 1.00 0.00 N ATOM 854 CA VAL A 59 77.951 -8.256 12.383 1.00 0.00 C ATOM 855 C VAL A 59 79.135 -7.397 12.823 1.00 0.00 C ATOM 856 O VAL A 59 78.933 -6.370 13.470 1.00 0.00 O ATOM 857 CB VAL A 59 77.425 -7.762 11.031 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.442 -8.770 10.414 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.739 -6.407 11.224 1.00 0.00 C ATOM 0 H VAL A 59 76.085 -7.636 13.130 1.00 0.00 H new ATOM 0 HA VAL A 59 78.287 -9.288 12.282 1.00 0.00 H new ATOM 0 HB VAL A 59 78.266 -7.657 10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.086 -8.391 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.947 -9.724 10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 59 75.595 -8.910 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.362 -6.050 10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.909 -6.516 11.922 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.456 -5.689 11.622 1.00 0.00 H new ATOM 869 N PRO A 60 80.322 -7.677 12.351 1.00 0.00 N ATOM 870 CA PRO A 60 81.537 -6.921 12.771 1.00 0.00 C ATOM 871 C PRO A 60 81.376 -5.419 12.549 1.00 0.00 C ATOM 872 O PRO A 60 80.453 -4.979 11.863 1.00 0.00 O ATOM 873 CB PRO A 60 82.676 -7.488 11.912 1.00 0.00 C ATOM 874 CG PRO A 60 82.099 -8.595 11.086 1.00 0.00 C ATOM 875 CD PRO A 60 80.702 -8.905 11.632 1.00 0.00 C ATOM 0 HA PRO A 60 81.730 -7.037 13.838 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.099 -6.712 11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.485 -7.859 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.043 -8.301 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.734 -9.480 11.135 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.000 -9.131 10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.715 -9.769 12.296 1.00 0.00 H new ATOM 883 N ASP A 61 82.272 -4.634 13.142 1.00 0.00 N ATOM 884 CA ASP A 61 82.267 -3.187 12.947 1.00 0.00 C ATOM 885 C ASP A 61 83.303 -2.783 11.904 1.00 0.00 C ATOM 886 O ASP A 61 83.184 -3.159 10.740 1.00 0.00 O ATOM 887 CB ASP A 61 82.554 -2.478 14.272 1.00 0.00 C ATOM 888 CG ASP A 61 82.386 -0.973 14.100 1.00 0.00 C ATOM 889 OD1 ASP A 61 81.255 -0.529 13.988 1.00 0.00 O ATOM 890 OD2 ASP A 61 83.394 -0.286 14.071 1.00 0.00 O ATOM 0 H ASP A 61 83.009 -4.974 13.760 1.00 0.00 H new ATOM 0 HA ASP A 61 81.281 -2.890 12.590 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.877 -2.843 15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 61 83.567 -2.704 14.604 1.00 0.00 H new ATOM 895 N ARG A 62 84.318 -2.034 12.325 1.00 0.00 N ATOM 896 CA ARG A 62 85.391 -1.633 11.423 1.00 0.00 C ATOM 897 C ARG A 62 84.852 -0.715 10.332 1.00 0.00 C ATOM 898 O ARG A 62 85.134 0.483 10.329 1.00 0.00 O ATOM 899 CB ARG A 62 86.054 -2.857 10.786 1.00 0.00 C ATOM 900 CG ARG A 62 86.350 -3.928 11.840 1.00 0.00 C ATOM 901 CD ARG A 62 86.666 -5.255 11.146 1.00 0.00 C ATOM 902 NE ARG A 62 87.781 -5.099 10.220 1.00 0.00 N ATOM 903 CZ ARG A 62 88.052 -6.031 9.310 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.123 -6.866 8.928 1.00 0.00 N ATOM 905 NH2 ARG A 62 89.231 -6.067 8.750 1.00 0.00 N ATOM 0 H ARG A 62 84.419 -1.694 13.281 1.00 0.00 H new ATOM 0 HA ARG A 62 86.138 -1.095 12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.402 -3.269 10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.980 -2.559 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 62 87.192 -3.620 12.460 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.493 -4.047 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 62 86.909 -6.012 11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.786 -5.608 10.608 1.00 0.00 H new ATOM 0 HE ARG A 62 88.362 -4.262 10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.187 -6.805 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.334 -7.579 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 62 89.941 -5.382 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.442 -6.780 8.052 1.00 0.00 H new ATOM 919 N PHE A 63 83.968 -1.250 9.497 1.00 0.00 N ATOM 920 CA PHE A 63 83.372 -0.479 8.414 1.00 0.00 C ATOM 921 C PHE A 63 82.408 0.552 8.986 1.00 0.00 C ATOM 922 O PHE A 63 81.572 0.242 9.835 1.00 0.00 O ATOM 923 CB PHE A 63 82.650 -1.404 7.425 1.00 0.00 C ATOM 924 CG PHE A 63 83.228 -2.798 7.505 1.00 0.00 C ATOM 925 CD1 PHE A 63 84.331 -3.146 6.716 1.00 0.00 C ATOM 926 CD2 PHE A 63 82.592 -3.772 8.284 1.00 0.00 C ATOM 927 CE1 PHE A 63 84.871 -4.435 6.802 1.00 0.00 C ATOM 928 CE2 PHE A 63 83.161 -5.045 8.409 1.00 0.00 C ATOM 929 CZ PHE A 63 84.291 -5.383 7.654 1.00 0.00 C ATOM 0 H PHE A 63 83.648 -2.217 9.550 1.00 0.00 H new ATOM 0 HA PHE A 63 84.164 0.040 7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.584 -1.430 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.752 -1.017 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 63 84.764 -2.422 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.665 -3.542 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 63 85.736 -4.698 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.729 -5.766 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.715 -6.374 7.729 1.00 0.00 H new ATOM 939 N SER A 64 82.476 1.760 8.441 1.00 0.00 N ATOM 940 CA SER A 64 81.580 2.831 8.870 1.00 0.00 C ATOM 941 C SER A 64 81.111 3.631 7.661 1.00 0.00 C ATOM 942 O SER A 64 81.942 4.115 6.898 1.00 0.00 O ATOM 943 CB SER A 64 82.306 3.756 9.849 1.00 0.00 C ATOM 944 OG SER A 64 81.348 4.467 10.619 1.00 0.00 O ATOM 0 H SER A 64 83.135 2.023 7.708 1.00 0.00 H new ATOM 0 HA SER A 64 80.715 2.391 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 82.956 3.175 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.943 4.454 9.305 1.00 0.00 H new ATOM 0 HG SER A 64 81.809 5.060 11.249 1.00 0.00 H new ATOM 950 N GLY A 65 79.799 3.797 7.512 1.00 0.00 N ATOM 951 CA GLY A 65 79.242 4.512 6.369 1.00 0.00 C ATOM 952 C GLY A 65 78.925 5.954 6.748 1.00 0.00 C ATOM 953 O GLY A 65 78.471 6.223 7.859 1.00 0.00 O ATOM 0 H GLY A 65 79.102 3.446 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.950 4.494 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.336 4.012 6.025 1.00 0.00 H new ATOM 957 N SER A 66 79.104 6.868 5.800 1.00 0.00 N ATOM 958 CA SER A 66 78.794 8.276 6.031 1.00 0.00 C ATOM 959 C SER A 66 78.222 8.890 4.759 1.00 0.00 C ATOM 960 O SER A 66 78.536 8.442 3.657 1.00 0.00 O ATOM 961 CB SER A 66 80.067 9.025 6.436 1.00 0.00 C ATOM 962 OG SER A 66 80.671 9.600 5.287 1.00 0.00 O ATOM 0 H SER A 66 79.461 6.661 4.867 1.00 0.00 H new ATOM 0 HA SER A 66 78.059 8.356 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.827 9.803 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.764 8.341 6.921 1.00 0.00 H new ATOM 0 HG SER A 66 80.883 8.894 4.641 1.00 0.00 H new ATOM 968 N ILE A 67 77.394 9.921 4.910 1.00 0.00 N ATOM 969 CA ILE A 67 76.776 10.578 3.762 1.00 0.00 C ATOM 970 C ILE A 67 77.054 12.076 3.781 1.00 0.00 C ATOM 971 O ILE A 67 77.083 12.711 4.835 1.00 0.00 O ATOM 972 CB ILE A 67 75.270 10.290 3.753 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.518 11.192 4.744 1.00 0.00 C ATOM 974 CG2 ILE A 67 75.062 8.814 4.115 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.914 12.414 4.044 1.00 0.00 C ATOM 0 H ILE A 67 77.136 10.318 5.813 1.00 0.00 H new ATOM 0 HA ILE A 67 77.211 10.179 2.846 1.00 0.00 H new ATOM 0 HB ILE A 67 74.870 10.500 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 67 73.726 10.621 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 67 75.200 11.521 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.996 8.586 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.568 8.185 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.474 8.621 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 67 73.390 13.030 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.709 12.998 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 67 73.213 12.084 3.277 1.00 0.00 H new ATOM 987 N ASP A 68 77.247 12.629 2.589 1.00 0.00 N ATOM 988 CA ASP A 68 77.482 14.061 2.429 1.00 0.00 C ATOM 989 C ASP A 68 76.459 14.662 1.472 1.00 0.00 C ATOM 990 O ASP A 68 76.749 14.876 0.295 1.00 0.00 O ATOM 991 CB ASP A 68 78.887 14.293 1.873 1.00 0.00 C ATOM 992 CG ASP A 68 79.928 13.707 2.820 1.00 0.00 C ATOM 993 OD1 ASP A 68 80.125 14.280 3.879 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.493 12.678 2.487 1.00 0.00 O ATOM 0 H ASP A 68 77.245 12.105 1.714 1.00 0.00 H new ATOM 0 HA ASP A 68 77.386 14.541 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.978 13.832 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.063 15.361 1.742 1.00 0.00 H new ATOM 999 N SER A 69 75.286 14.990 2.003 1.00 0.00 N ATOM 1000 CA SER A 69 74.236 15.591 1.191 1.00 0.00 C ATOM 1001 C SER A 69 74.759 16.826 0.467 1.00 0.00 C ATOM 1002 O SER A 69 74.335 17.134 -0.647 1.00 0.00 O ATOM 1003 CB SER A 69 73.061 15.984 2.088 1.00 0.00 C ATOM 1004 OG SER A 69 73.388 17.169 2.798 1.00 0.00 O ATOM 0 H SER A 69 75.040 14.851 2.983 1.00 0.00 H new ATOM 0 HA SER A 69 73.908 14.864 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.166 16.142 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.837 15.178 2.787 1.00 0.00 H new ATOM 0 HG SER A 69 72.636 17.424 3.372 1.00 0.00 H new ATOM 1010 N SER A 70 75.657 17.549 1.126 1.00 0.00 N ATOM 1011 CA SER A 70 76.250 18.742 0.533 1.00 0.00 C ATOM 1012 C SER A 70 77.082 18.385 -0.694 1.00 0.00 C ATOM 1013 O SER A 70 76.936 18.991 -1.756 1.00 0.00 O ATOM 1014 CB SER A 70 77.160 19.404 1.566 1.00 0.00 C ATOM 1015 OG SER A 70 76.410 19.710 2.733 1.00 0.00 O ATOM 0 H SER A 70 75.989 17.332 2.066 1.00 0.00 H new ATOM 0 HA SER A 70 75.449 19.416 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.987 18.740 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.596 20.313 1.152 1.00 0.00 H new ATOM 0 HG SER A 70 76.995 20.133 3.396 1.00 0.00 H new ATOM 1021 N SER A 71 77.981 17.419 -0.528 1.00 0.00 N ATOM 1022 CA SER A 71 78.850 16.997 -1.621 1.00 0.00 C ATOM 1023 C SER A 71 78.126 15.997 -2.514 1.00 0.00 C ATOM 1024 O SER A 71 78.609 15.660 -3.594 1.00 0.00 O ATOM 1025 CB SER A 71 80.123 16.357 -1.064 1.00 0.00 C ATOM 1026 OG SER A 71 81.052 16.157 -2.119 1.00 0.00 O ATOM 0 H SER A 71 78.126 16.916 0.348 1.00 0.00 H new ATOM 0 HA SER A 71 79.117 17.874 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.559 16.997 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.886 15.405 -0.588 1.00 0.00 H new ATOM 0 HG SER A 71 80.569 15.930 -2.941 1.00 0.00 H new ATOM 1032 N ASN A 72 76.945 15.567 -2.079 1.00 0.00 N ATOM 1033 CA ASN A 72 76.159 14.635 -2.880 1.00 0.00 C ATOM 1034 C ASN A 72 76.942 13.349 -3.122 1.00 0.00 C ATOM 1035 O ASN A 72 76.957 12.822 -4.234 1.00 0.00 O ATOM 1036 CB ASN A 72 75.787 15.274 -4.220 1.00 0.00 C ATOM 1037 CG ASN A 72 74.724 14.440 -4.925 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.530 14.675 -4.739 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.086 13.489 -5.743 1.00 0.00 N ATOM 0 H ASN A 72 76.518 15.842 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 72 75.247 14.395 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.417 16.286 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.673 15.356 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.379 12.938 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.076 13.297 -5.895 1.00 0.00 H new ATOM 1046 N SER A 73 77.696 12.930 -2.110 1.00 0.00 N ATOM 1047 CA SER A 73 78.535 11.741 -2.225 1.00 0.00 C ATOM 1048 C SER A 73 78.677 11.063 -0.866 1.00 0.00 C ATOM 1049 O SER A 73 78.435 11.678 0.171 1.00 0.00 O ATOM 1050 CB SER A 73 79.921 12.134 -2.740 1.00 0.00 C ATOM 1051 OG SER A 73 80.724 12.558 -1.648 1.00 0.00 O ATOM 0 H SER A 73 77.743 13.395 -1.203 1.00 0.00 H new ATOM 0 HA SER A 73 78.066 11.049 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.388 11.287 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.835 12.934 -3.475 1.00 0.00 H new ATOM 0 HG SER A 73 81.613 12.809 -1.974 1.00 0.00 H new ATOM 1057 N ALA A 74 78.929 9.758 -0.879 1.00 0.00 N ATOM 1058 CA ALA A 74 78.985 8.977 0.353 1.00 0.00 C ATOM 1059 C ALA A 74 80.438 8.625 0.646 1.00 0.00 C ATOM 1060 O ALA A 74 81.278 8.700 -0.249 1.00 0.00 O ATOM 1061 CB ALA A 74 78.142 7.704 0.199 1.00 0.00 C ATOM 0 H ALA A 74 79.098 9.219 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 74 78.581 9.557 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 74 78.187 7.124 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 74 77.107 7.976 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.533 7.106 -0.625 1.00 0.00 H new ATOM 1067 N SER A 75 80.759 8.510 1.931 1.00 0.00 N ATOM 1068 CA SER A 75 82.130 8.236 2.352 1.00 0.00 C ATOM 1069 C SER A 75 82.153 7.273 3.533 1.00 0.00 C ATOM 1070 O SER A 75 81.549 7.545 4.570 1.00 0.00 O ATOM 1071 CB SER A 75 82.838 9.531 2.753 1.00 0.00 C ATOM 1072 OG SER A 75 82.928 10.394 1.629 1.00 0.00 O ATOM 0 H SER A 75 80.092 8.602 2.697 1.00 0.00 H new ATOM 0 HA SER A 75 82.650 7.782 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.291 10.022 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.835 9.309 3.134 1.00 0.00 H new ATOM 0 HG SER A 75 83.380 11.224 1.889 1.00 0.00 H new ATOM 1078 N LEU A 76 82.741 6.097 3.330 1.00 0.00 N ATOM 1079 CA LEU A 76 82.831 5.106 4.397 1.00 0.00 C ATOM 1080 C LEU A 76 84.200 5.177 5.070 1.00 0.00 C ATOM 1081 O LEU A 76 85.232 5.207 4.401 1.00 0.00 O ATOM 1082 CB LEU A 76 82.520 3.710 3.837 1.00 0.00 C ATOM 1083 CG LEU A 76 83.335 2.600 4.513 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.654 1.252 4.256 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.784 2.576 4.007 1.00 0.00 C ATOM 0 H LEU A 76 83.159 5.809 2.445 1.00 0.00 H new ATOM 0 HA LEU A 76 82.089 5.321 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.458 3.502 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.721 3.701 2.766 1.00 0.00 H new ATOM 0 HG LEU A 76 83.371 2.796 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.228 0.458 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.645 1.269 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.604 1.068 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.331 1.777 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.791 2.401 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.260 3.532 4.222 1.00 0.00 H new ATOM 1097 N THR A 77 84.204 5.130 6.400 1.00 0.00 N ATOM 1098 CA THR A 77 85.444 5.110 7.170 1.00 0.00 C ATOM 1099 C THR A 77 85.655 3.740 7.809 1.00 0.00 C ATOM 1100 O THR A 77 84.843 3.283 8.613 1.00 0.00 O ATOM 1101 CB THR A 77 85.391 6.182 8.263 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.935 7.403 7.697 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.782 6.391 8.868 1.00 0.00 C ATOM 0 H THR A 77 83.358 5.105 6.969 1.00 0.00 H new ATOM 0 HA THR A 77 86.276 5.315 6.496 1.00 0.00 H new ATOM 0 HB THR A 77 84.709 5.857 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.898 8.092 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.730 7.155 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 77 87.134 5.456 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.473 6.711 8.089 1.00 0.00 H new ATOM 1111 N ILE A 78 86.740 3.076 7.422 1.00 0.00 N ATOM 1112 CA ILE A 78 87.078 1.756 7.946 1.00 0.00 C ATOM 1113 C ILE A 78 88.206 1.890 8.966 1.00 0.00 C ATOM 1114 O ILE A 78 89.250 2.475 8.679 1.00 0.00 O ATOM 1115 CB ILE A 78 87.487 0.865 6.766 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.279 0.118 6.195 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.561 -0.155 7.160 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.620 -0.441 4.813 1.00 0.00 C ATOM 0 H ILE A 78 87.407 3.435 6.739 1.00 0.00 H new ATOM 0 HA ILE A 78 86.226 1.303 8.453 1.00 0.00 H new ATOM 0 HB ILE A 78 87.899 1.530 6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.992 -0.693 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.424 0.791 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.820 -0.764 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.449 0.370 7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 88.179 -0.797 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.756 -0.972 4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.885 0.378 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.462 -1.129 4.896 1.00 0.00 H new ATOM 1130 N SER A 79 88.023 1.260 10.123 1.00 0.00 N ATOM 1131 CA SER A 79 89.040 1.244 11.170 1.00 0.00 C ATOM 1132 C SER A 79 89.386 -0.195 11.538 1.00 0.00 C ATOM 1133 O SER A 79 88.530 -0.958 11.986 1.00 0.00 O ATOM 1134 CB SER A 79 88.526 2.011 12.392 1.00 0.00 C ATOM 1135 OG SER A 79 89.029 3.338 12.355 1.00 0.00 O ATOM 0 H SER A 79 87.172 0.750 10.360 1.00 0.00 H new ATOM 0 HA SER A 79 89.946 1.730 10.808 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.436 2.022 12.397 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.844 1.514 13.309 1.00 0.00 H new ATOM 0 HG SER A 79 88.701 3.834 13.134 1.00 0.00 H new ATOM 1141 N GLY A 80 90.662 -0.536 11.395 1.00 0.00 N ATOM 1142 CA GLY A 80 91.141 -1.860 11.776 1.00 0.00 C ATOM 1143 C GLY A 80 90.949 -2.856 10.638 1.00 0.00 C ATOM 1144 O GLY A 80 90.236 -3.848 10.784 1.00 0.00 O ATOM 0 H GLY A 80 91.381 0.083 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.196 -1.806 12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.605 -2.204 12.660 1.00 0.00 H new ATOM 1148 N LEU A 81 91.511 -2.535 9.478 1.00 0.00 N ATOM 1149 CA LEU A 81 91.373 -3.393 8.308 1.00 0.00 C ATOM 1150 C LEU A 81 92.259 -4.628 8.434 1.00 0.00 C ATOM 1151 O LEU A 81 93.282 -4.601 9.118 1.00 0.00 O ATOM 1152 CB LEU A 81 91.759 -2.608 7.053 1.00 0.00 C ATOM 1153 CG LEU A 81 93.248 -2.225 7.094 1.00 0.00 C ATOM 1154 CD1 LEU A 81 94.060 -3.128 6.163 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.442 -0.778 6.639 1.00 0.00 C ATOM 0 H LEU A 81 92.063 -1.692 9.323 1.00 0.00 H new ATOM 0 HA LEU A 81 90.336 -3.720 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.556 -3.207 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.148 -1.709 6.977 1.00 0.00 H new ATOM 0 HG LEU A 81 93.590 -2.343 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 95.111 -2.843 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.953 -4.166 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 81 93.695 -3.020 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.501 -0.524 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 81 93.076 -0.665 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 81 92.887 -0.111 7.299 1.00 0.00 H new ATOM 1167 N LYS A 82 91.837 -5.721 7.804 1.00 0.00 N ATOM 1168 CA LYS A 82 92.587 -6.973 7.839 1.00 0.00 C ATOM 1169 C LYS A 82 92.394 -7.727 6.525 1.00 0.00 C ATOM 1170 O LYS A 82 91.600 -7.320 5.679 1.00 0.00 O ATOM 1171 CB LYS A 82 92.096 -7.815 9.025 1.00 0.00 C ATOM 1172 CG LYS A 82 93.030 -7.675 10.232 1.00 0.00 C ATOM 1173 CD LYS A 82 94.232 -8.611 10.073 1.00 0.00 C ATOM 1174 CE LYS A 82 95.093 -8.567 11.338 1.00 0.00 C ATOM 1175 NZ LYS A 82 95.988 -9.758 11.362 1.00 0.00 N ATOM 0 H LYS A 82 90.975 -5.765 7.260 1.00 0.00 H new ATOM 0 HA LYS A 82 93.650 -6.769 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.089 -7.503 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.035 -8.862 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.371 -6.643 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.491 -7.913 11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.890 -9.630 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.825 -8.313 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.685 -7.652 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.458 -8.556 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 96.576 -9.733 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.413 -10.625 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 96.601 -9.749 10.522 1.00 0.00 H new ATOM 1189 N THR A 83 93.124 -8.826 6.360 1.00 0.00 N ATOM 1190 CA THR A 83 92.975 -9.667 5.177 1.00 0.00 C ATOM 1191 C THR A 83 91.562 -10.224 5.085 1.00 0.00 C ATOM 1192 O THR A 83 91.021 -10.418 3.996 1.00 0.00 O ATOM 1193 CB THR A 83 93.978 -10.821 5.235 1.00 0.00 C ATOM 1194 OG1 THR A 83 93.762 -11.581 6.415 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.403 -10.261 5.252 1.00 0.00 C ATOM 0 H THR A 83 93.822 -9.154 7.028 1.00 0.00 H new ATOM 0 HA THR A 83 93.167 -9.058 4.294 1.00 0.00 H new ATOM 0 HB THR A 83 93.844 -11.457 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.404 -12.321 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.117 -11.084 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.575 -9.676 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.533 -9.624 6.127 1.00 0.00 H new ATOM 1203 N GLU A 84 90.958 -10.420 6.249 1.00 0.00 N ATOM 1204 CA GLU A 84 89.585 -10.904 6.302 1.00 0.00 C ATOM 1205 C GLU A 84 88.679 -9.994 5.481 1.00 0.00 C ATOM 1206 O GLU A 84 87.514 -10.315 5.246 1.00 0.00 O ATOM 1207 CB GLU A 84 89.092 -10.945 7.749 1.00 0.00 C ATOM 1208 CG GLU A 84 89.787 -12.090 8.487 1.00 0.00 C ATOM 1209 CD GLU A 84 89.497 -11.998 9.981 1.00 0.00 C ATOM 1210 OE1 GLU A 84 88.880 -11.026 10.385 1.00 0.00 O ATOM 1211 OE2 GLU A 84 89.898 -12.899 10.700 1.00 0.00 O ATOM 0 H GLU A 84 91.390 -10.254 7.158 1.00 0.00 H new ATOM 0 HA GLU A 84 89.556 -11.912 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 84 89.303 -9.997 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.011 -11.084 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 84 89.440 -13.048 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 84 90.862 -12.046 8.313 1.00 0.00 H new ATOM 1218 N ASP A 85 89.224 -8.865 5.036 1.00 0.00 N ATOM 1219 CA ASP A 85 88.472 -7.929 4.206 1.00 0.00 C ATOM 1220 C ASP A 85 88.984 -7.939 2.770 1.00 0.00 C ATOM 1221 O ASP A 85 88.251 -7.578 1.850 1.00 0.00 O ATOM 1222 CB ASP A 85 88.592 -6.513 4.773 1.00 0.00 C ATOM 1223 CG ASP A 85 87.838 -6.415 6.095 1.00 0.00 C ATOM 1224 OD1 ASP A 85 87.128 -7.353 6.420 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.968 -5.397 6.755 1.00 0.00 O ATOM 0 H ASP A 85 90.182 -8.577 5.236 1.00 0.00 H new ATOM 0 HA ASP A 85 87.428 -8.241 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.642 -6.261 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.190 -5.792 4.061 1.00 0.00 H new ATOM 1230 N GLU A 86 90.228 -8.369 2.574 1.00 0.00 N ATOM 1231 CA GLU A 86 90.790 -8.441 1.229 1.00 0.00 C ATOM 1232 C GLU A 86 89.763 -8.952 0.223 1.00 0.00 C ATOM 1233 O GLU A 86 89.509 -10.154 0.143 1.00 0.00 O ATOM 1234 CB GLU A 86 92.002 -9.375 1.228 1.00 0.00 C ATOM 1235 CG GLU A 86 92.678 -9.332 -0.143 1.00 0.00 C ATOM 1236 CD GLU A 86 93.972 -10.138 -0.111 1.00 0.00 C ATOM 1237 OE1 GLU A 86 93.942 -11.247 0.396 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.980 -9.617 -0.557 1.00 0.00 O ATOM 0 H GLU A 86 90.858 -8.669 3.318 1.00 0.00 H new ATOM 0 HA GLU A 86 91.089 -7.435 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.707 -9.074 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.690 -10.393 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.007 -9.735 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.890 -8.300 -0.421 1.00 0.00 H new ATOM 1245 N ALA A 87 89.117 -8.030 -0.484 1.00 0.00 N ATOM 1246 CA ALA A 87 88.055 -8.406 -1.409 1.00 0.00 C ATOM 1247 C ALA A 87 87.485 -7.182 -2.119 1.00 0.00 C ATOM 1248 O ALA A 87 88.092 -6.111 -2.120 1.00 0.00 O ATOM 1249 CB ALA A 87 86.945 -9.124 -0.636 1.00 0.00 C ATOM 0 H ALA A 87 89.307 -7.029 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 87 88.471 -9.071 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.148 -9.408 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.351 -10.018 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.545 -8.458 0.129 1.00 0.00 H new ATOM 1255 N ASP A 88 86.387 -7.396 -2.838 1.00 0.00 N ATOM 1256 CA ASP A 88 85.732 -6.323 -3.579 1.00 0.00 C ATOM 1257 C ASP A 88 84.619 -5.681 -2.760 1.00 0.00 C ATOM 1258 O ASP A 88 83.903 -6.356 -2.022 1.00 0.00 O ATOM 1259 CB ASP A 88 85.170 -6.873 -4.892 1.00 0.00 C ATOM 1260 CG ASP A 88 86.202 -7.781 -5.553 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.269 -8.939 -5.176 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.893 -7.315 -6.444 1.00 0.00 O ATOM 0 H ASP A 88 85.931 -8.305 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 88 86.474 -5.553 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.252 -7.429 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.913 -6.052 -5.561 1.00 0.00 H new ATOM 1267 N TYR A 89 84.412 -4.387 -2.987 1.00 0.00 N ATOM 1268 CA TYR A 89 83.361 -3.628 -2.314 1.00 0.00 C ATOM 1269 C TYR A 89 82.329 -3.163 -3.337 1.00 0.00 C ATOM 1270 O TYR A 89 82.681 -2.686 -4.415 1.00 0.00 O ATOM 1271 CB TYR A 89 83.972 -2.424 -1.584 1.00 0.00 C ATOM 1272 CG TYR A 89 84.201 -2.735 -0.122 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.174 -2.515 0.805 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.431 -3.253 0.301 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.390 -2.787 2.161 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.652 -3.499 1.661 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.601 -3.355 2.574 1.00 0.00 C ATOM 1278 OH TYR A 89 84.813 -3.624 3.911 1.00 0.00 O ATOM 0 H TYR A 89 84.967 -3.835 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 89 82.867 -4.265 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.917 -2.151 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.309 -1.563 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.218 -2.137 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.207 -3.462 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.624 -2.559 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.631 -3.799 2.005 1.00 0.00 H new ATOM 0 HH TYR A 89 84.156 -3.137 4.451 1.00 0.00 H new ATOM 1288 N TYR A 90 81.057 -3.227 -2.953 1.00 0.00 N ATOM 1289 CA TYR A 90 79.958 -2.807 -3.818 1.00 0.00 C ATOM 1290 C TYR A 90 79.129 -1.721 -3.131 1.00 0.00 C ATOM 1291 O TYR A 90 79.115 -1.631 -1.903 1.00 0.00 O ATOM 1292 CB TYR A 90 79.088 -4.027 -4.144 1.00 0.00 C ATOM 1293 CG TYR A 90 79.696 -4.826 -5.276 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.905 -5.507 -5.086 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.036 -4.915 -6.509 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.489 -6.211 -6.147 1.00 0.00 C ATOM 1297 CE2 TYR A 90 79.619 -5.617 -7.570 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.843 -6.271 -7.388 1.00 0.00 C ATOM 1299 OH TYR A 90 81.383 -7.023 -8.412 1.00 0.00 O ATOM 0 H TYR A 90 80.760 -3.569 -2.039 1.00 0.00 H new ATOM 0 HA TYR A 90 80.356 -2.391 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 90 78.988 -4.656 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.084 -3.702 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.388 -5.489 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.075 -4.441 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.438 -6.708 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 90 79.124 -5.654 -8.529 1.00 0.00 H new ATOM 0 HH TYR A 90 80.809 -6.957 -9.204 1.00 0.00 H new ATOM 1309 N CYS A 91 78.467 -0.879 -3.924 1.00 0.00 N ATOM 1310 CA CYS A 91 77.611 0.193 -3.411 1.00 0.00 C ATOM 1311 C CYS A 91 76.185 -0.082 -3.900 1.00 0.00 C ATOM 1312 O CYS A 91 75.993 -0.600 -5.001 1.00 0.00 O ATOM 1313 CB CYS A 91 78.086 1.567 -3.927 1.00 0.00 C ATOM 1314 SG CYS A 91 79.336 2.420 -2.915 1.00 0.00 S ATOM 0 H CYS A 91 78.509 -0.920 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 91 77.652 0.215 -2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.490 1.435 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.216 2.218 -4.017 1.00 0.00 H new ATOM 1319 N GLN A 92 75.175 0.262 -3.103 1.00 0.00 N ATOM 1320 CA GLN A 92 73.779 0.138 -3.525 1.00 0.00 C ATOM 1321 C GLN A 92 73.020 1.434 -3.254 1.00 0.00 C ATOM 1322 O GLN A 92 72.999 1.922 -2.124 1.00 0.00 O ATOM 1323 CB GLN A 92 73.081 -1.007 -2.785 1.00 0.00 C ATOM 1324 CG GLN A 92 73.986 -2.239 -2.749 1.00 0.00 C ATOM 1325 CD GLN A 92 73.195 -3.462 -2.294 1.00 0.00 C ATOM 1326 OE1 GLN A 92 73.442 -4.573 -2.763 1.00 0.00 O ATOM 1327 NE2 GLN A 92 72.258 -3.329 -1.396 1.00 0.00 N ATOM 0 H GLN A 92 75.297 0.630 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 92 73.778 -0.072 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.835 -0.697 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.141 -1.251 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.409 -2.418 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.822 -2.065 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.052 -2.409 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 92 71.731 -4.145 -1.084 1.00 0.00 H new ATOM 1336 N SER A 93 72.345 1.956 -4.276 1.00 0.00 N ATOM 1337 CA SER A 93 71.585 3.196 -4.144 1.00 0.00 C ATOM 1338 C SER A 93 70.157 3.010 -4.644 1.00 0.00 C ATOM 1339 O SER A 93 69.879 2.098 -5.422 1.00 0.00 O ATOM 1340 CB SER A 93 72.258 4.309 -4.950 1.00 0.00 C ATOM 1341 OG SER A 93 71.874 4.203 -6.313 1.00 0.00 O ATOM 0 H SER A 93 72.309 1.538 -5.206 1.00 0.00 H new ATOM 0 HA SER A 93 71.559 3.468 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.971 5.284 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.342 4.234 -4.859 1.00 0.00 H new ATOM 0 HG SER A 93 72.303 4.916 -6.830 1.00 0.00 H new ATOM 1347 N TYR A 94 69.256 3.879 -4.195 1.00 0.00 N ATOM 1348 CA TYR A 94 67.858 3.823 -4.611 1.00 0.00 C ATOM 1349 C TYR A 94 67.421 5.155 -5.211 1.00 0.00 C ATOM 1350 O TYR A 94 67.926 6.212 -4.834 1.00 0.00 O ATOM 1351 CB TYR A 94 66.969 3.493 -3.411 1.00 0.00 C ATOM 1352 CG TYR A 94 67.157 2.045 -3.024 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.356 1.632 -2.430 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.138 1.114 -3.261 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.546 0.286 -2.095 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.326 -0.232 -2.921 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.519 -0.640 -2.314 1.00 0.00 C ATOM 1358 OH TYR A 94 67.701 -1.966 -1.975 1.00 0.00 O ATOM 0 H TYR A 94 69.470 4.632 -3.541 1.00 0.00 H new ATOM 0 HA TYR A 94 67.757 3.044 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.220 4.140 -2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.924 3.681 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.135 2.353 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.207 1.434 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.484 -0.038 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.550 -0.955 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 94 66.891 -2.473 -2.192 1.00 0.00 H new ATOM 1368 N ASP A 95 66.495 5.096 -6.165 1.00 0.00 N ATOM 1369 CA ASP A 95 65.989 6.298 -6.822 1.00 0.00 C ATOM 1370 C ASP A 95 64.549 6.569 -6.396 1.00 0.00 C ATOM 1371 O ASP A 95 63.940 5.769 -5.686 1.00 0.00 O ATOM 1372 CB ASP A 95 66.044 6.119 -8.341 1.00 0.00 C ATOM 1373 CG ASP A 95 67.439 5.668 -8.762 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.388 6.363 -8.438 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.538 4.622 -9.381 1.00 0.00 O ATOM 0 H ASP A 95 66.079 4.227 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 95 66.612 7.144 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.304 5.383 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.791 7.057 -8.836 1.00 0.00 H new ATOM 1380 N SER A 96 64.002 7.691 -6.854 1.00 0.00 N ATOM 1381 CA SER A 96 62.633 8.054 -6.507 1.00 0.00 C ATOM 1382 C SER A 96 61.650 7.030 -7.063 1.00 0.00 C ATOM 1383 O SER A 96 60.490 6.986 -6.654 1.00 0.00 O ATOM 1384 CB SER A 96 62.303 9.440 -7.065 1.00 0.00 C ATOM 1385 OG SER A 96 63.362 10.335 -6.759 1.00 0.00 O ATOM 0 H SER A 96 64.480 8.358 -7.460 1.00 0.00 H new ATOM 0 HA SER A 96 62.545 8.071 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.159 9.385 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 96 61.369 9.804 -6.637 1.00 0.00 H new ATOM 0 HG SER A 96 63.153 11.223 -7.117 1.00 0.00 H new ATOM 1391 N SER A 97 62.103 6.240 -8.031 1.00 0.00 N ATOM 1392 CA SER A 97 61.248 5.237 -8.656 1.00 0.00 C ATOM 1393 C SER A 97 61.257 3.939 -7.857 1.00 0.00 C ATOM 1394 O SER A 97 60.936 2.874 -8.384 1.00 0.00 O ATOM 1395 CB SER A 97 61.723 4.958 -10.083 1.00 0.00 C ATOM 1396 OG SER A 97 62.970 4.279 -10.047 1.00 0.00 O ATOM 0 H SER A 97 63.054 6.274 -8.399 1.00 0.00 H new ATOM 0 HA SER A 97 60.231 5.627 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.984 4.355 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.823 5.894 -10.633 1.00 0.00 H new ATOM 0 HG SER A 97 63.271 4.100 -10.962 1.00 0.00 H new ATOM 1402 N ASN A 98 61.716 4.012 -6.611 1.00 0.00 N ATOM 1403 CA ASN A 98 61.784 2.827 -5.763 1.00 0.00 C ATOM 1404 C ASN A 98 62.520 1.698 -6.476 1.00 0.00 C ATOM 1405 O ASN A 98 62.125 0.536 -6.383 1.00 0.00 O ATOM 1406 CB ASN A 98 60.374 2.363 -5.390 1.00 0.00 C ATOM 1407 CG ASN A 98 59.721 3.378 -4.458 1.00 0.00 C ATOM 1408 OD1 ASN A 98 59.328 4.460 -4.896 1.00 0.00 O ATOM 1409 ND2 ASN A 98 59.531 3.071 -3.203 1.00 0.00 N ATOM 0 H ASN A 98 62.044 4.871 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 98 62.330 3.087 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.771 2.243 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.419 1.388 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.056 3.728 -2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 98 59.857 2.174 -2.842 1.00 0.00 H new ATOM 1416 N HIS A 99 63.588 2.043 -7.190 1.00 0.00 N ATOM 1417 CA HIS A 99 64.372 1.057 -7.930 1.00 0.00 C ATOM 1418 C HIS A 99 65.763 0.932 -7.317 1.00 0.00 C ATOM 1419 O HIS A 99 66.324 1.913 -6.831 1.00 0.00 O ATOM 1420 CB HIS A 99 64.495 1.498 -9.390 1.00 0.00 C ATOM 1421 CG HIS A 99 63.212 1.226 -10.127 1.00 0.00 C ATOM 1422 ND1 HIS A 99 63.078 1.483 -11.482 1.00 0.00 N ATOM 1423 CD2 HIS A 99 61.982 0.779 -9.709 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.829 1.142 -11.839 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.111 0.722 -10.795 1.00 0.00 N ATOM 0 H HIS A 99 63.931 3.000 -7.272 1.00 0.00 H new ATOM 0 HA HIS A 99 63.872 0.090 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 99 64.731 2.561 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.317 0.967 -9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 99 61.729 0.512 -8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 99 61.451 1.201 -12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 99 60.136 0.424 -10.793 1.00 0.00 H new ATOM 1433 N VAL A 100 66.306 -0.282 -7.330 1.00 0.00 N ATOM 1434 CA VAL A 100 67.644 -0.532 -6.803 1.00 0.00 C ATOM 1435 C VAL A 100 68.680 -0.346 -7.909 1.00 0.00 C ATOM 1436 O VAL A 100 68.499 -0.819 -9.032 1.00 0.00 O ATOM 1437 CB VAL A 100 67.705 -1.948 -6.221 1.00 0.00 C ATOM 1438 CG1 VAL A 100 66.927 -2.902 -7.130 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.154 -2.426 -6.089 1.00 0.00 C ATOM 0 H VAL A 100 65.839 -1.110 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 100 67.868 0.179 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 100 67.259 -1.935 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 100 66.968 -3.911 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 100 65.888 -2.578 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.370 -2.898 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.168 -3.434 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.626 -2.432 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.700 -1.753 -5.428 1.00 0.00 H new ATOM 1449 N VAL A 101 69.799 0.284 -7.563 1.00 0.00 N ATOM 1450 CA VAL A 101 70.884 0.502 -8.514 1.00 0.00 C ATOM 1451 C VAL A 101 72.186 -0.056 -7.952 1.00 0.00 C ATOM 1452 O VAL A 101 72.421 -0.015 -6.745 1.00 0.00 O ATOM 1453 CB VAL A 101 71.035 2.000 -8.788 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.292 2.264 -9.620 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.808 2.501 -9.552 1.00 0.00 C ATOM 0 H VAL A 101 69.978 0.653 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 101 70.652 -0.012 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 101 71.122 2.527 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.386 3.334 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.169 1.912 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.217 1.735 -10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.913 3.568 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.724 1.964 -10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.912 2.328 -8.955 1.00 0.00 H new ATOM 1465 N PHE A 102 73.069 -0.494 -8.844 1.00 0.00 N ATOM 1466 CA PHE A 102 74.366 -1.030 -8.444 1.00 0.00 C ATOM 1467 C PHE A 102 75.482 -0.146 -8.990 1.00 0.00 C ATOM 1468 O PHE A 102 75.471 0.238 -10.159 1.00 0.00 O ATOM 1469 CB PHE A 102 74.529 -2.455 -8.983 1.00 0.00 C ATOM 1470 CG PHE A 102 73.749 -3.420 -8.121 1.00 0.00 C ATOM 1471 CD1 PHE A 102 74.236 -3.775 -6.857 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.535 -3.950 -8.577 1.00 0.00 C ATOM 1473 CE1 PHE A 102 73.520 -4.673 -6.058 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.809 -4.832 -7.768 1.00 0.00 C ATOM 1475 CZ PHE A 102 72.317 -5.218 -6.522 1.00 0.00 C ATOM 0 H PHE A 102 72.909 -0.488 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 102 74.422 -1.049 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.177 -2.507 -10.013 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.583 -2.732 -8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 102 75.165 -3.356 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 102 72.159 -3.678 -9.552 1.00 0.00 H new ATOM 0 HE1 PHE A 102 73.896 -4.946 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 102 70.857 -5.215 -8.105 1.00 0.00 H new ATOM 0 HZ PHE A 102 71.781 -5.936 -5.919 1.00 0.00 H new ATOM 1485 N GLY A 103 76.467 0.141 -8.145 1.00 0.00 N ATOM 1486 CA GLY A 103 77.582 0.988 -8.553 1.00 0.00 C ATOM 1487 C GLY A 103 78.686 0.159 -9.202 1.00 0.00 C ATOM 1488 O GLY A 103 78.613 -1.070 -9.239 1.00 0.00 O ATOM 0 H GLY A 103 76.516 -0.196 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.231 1.746 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 103 77.980 1.515 -7.686 1.00 0.00 H new ATOM 1492 N GLY A 104 79.708 0.840 -9.708 1.00 0.00 N ATOM 1493 CA GLY A 104 80.838 0.162 -10.332 1.00 0.00 C ATOM 1494 C GLY A 104 81.571 -0.719 -9.326 1.00 0.00 C ATOM 1495 O GLY A 104 82.319 -1.618 -9.709 1.00 0.00 O ATOM 0 H GLY A 104 79.777 1.858 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.486 -0.447 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.527 0.900 -10.744 1.00 0.00 H new ATOM 1499 N GLY A 105 81.487 -0.347 -8.053 1.00 0.00 N ATOM 1500 CA GLY A 105 82.192 -1.075 -7.006 1.00 0.00 C ATOM 1501 C GLY A 105 83.699 -0.890 -7.141 1.00 0.00 C ATOM 1502 O GLY A 105 84.201 -0.631 -8.234 1.00 0.00 O ATOM 0 H GLY A 105 80.941 0.449 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.864 -0.723 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 105 81.944 -2.135 -7.063 1.00 0.00 H new ATOM 1506 N THR A 106 84.414 -1.006 -6.026 1.00 0.00 N ATOM 1507 CA THR A 106 85.866 -0.848 -6.022 1.00 0.00 C ATOM 1508 C THR A 106 86.536 -2.077 -5.415 1.00 0.00 C ATOM 1509 O THR A 106 85.956 -2.756 -4.567 1.00 0.00 O ATOM 1510 CB THR A 106 86.249 0.392 -5.212 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.614 1.533 -5.770 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.767 0.579 -5.249 1.00 0.00 C ATOM 0 H THR A 106 84.011 -1.209 -5.111 1.00 0.00 H new ATOM 0 HA THR A 106 86.205 -0.733 -7.051 1.00 0.00 H new ATOM 0 HB THR A 106 85.927 0.266 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.219 1.964 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.039 1.463 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.252 -0.298 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.093 0.706 -6.281 1.00 0.00 H new ATOM 1520 N LYS A 107 87.761 -2.356 -5.851 1.00 0.00 N ATOM 1521 CA LYS A 107 88.525 -3.481 -5.318 1.00 0.00 C ATOM 1522 C LYS A 107 89.409 -3.030 -4.161 1.00 0.00 C ATOM 1523 O LYS A 107 90.200 -2.098 -4.305 1.00 0.00 O ATOM 1524 CB LYS A 107 89.388 -4.104 -6.416 1.00 0.00 C ATOM 1525 CG LYS A 107 90.133 -5.319 -5.858 1.00 0.00 C ATOM 1526 CD LYS A 107 90.968 -5.963 -6.966 1.00 0.00 C ATOM 1527 CE LYS A 107 91.744 -7.157 -6.406 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.897 -7.453 -7.301 1.00 0.00 N ATOM 0 H LYS A 107 88.246 -1.820 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 107 87.821 -4.228 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.763 -4.403 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.100 -3.370 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 107 90.777 -5.016 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.422 -6.042 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.320 -6.289 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.660 -5.232 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.097 -6.937 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.092 -8.028 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.429 -8.264 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.548 -7.679 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.521 -6.622 -7.349 1.00 0.00 H new ATOM 1542 N LEU A 108 89.313 -3.733 -3.035 1.00 0.00 N ATOM 1543 CA LEU A 108 90.167 -3.466 -1.885 1.00 0.00 C ATOM 1544 C LEU A 108 91.188 -4.583 -1.701 1.00 0.00 C ATOM 1545 O LEU A 108 90.824 -5.749 -1.546 1.00 0.00 O ATOM 1546 CB LEU A 108 89.295 -3.349 -0.632 1.00 0.00 C ATOM 1547 CG LEU A 108 90.127 -2.897 0.571 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.545 -1.436 0.395 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.292 -3.022 1.846 1.00 0.00 C ATOM 0 H LEU A 108 88.649 -4.495 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 108 90.707 -2.534 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.489 -2.637 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.829 -4.311 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 108 91.015 -3.526 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.137 -1.121 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.140 -1.335 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.656 -0.810 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.885 -2.700 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.405 -2.395 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.991 -4.060 1.983 1.00 0.00 H new ATOM 1561 N THR A 109 92.454 -4.198 -1.565 1.00 0.00 N ATOM 1562 CA THR A 109 93.532 -5.164 -1.363 1.00 0.00 C ATOM 1563 C THR A 109 94.263 -4.879 -0.055 1.00 0.00 C ATOM 1564 O THR A 109 94.449 -3.722 0.323 1.00 0.00 O ATOM 1565 CB THR A 109 94.528 -5.082 -2.522 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.846 -5.299 -3.748 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.613 -6.148 -2.348 1.00 0.00 C ATOM 0 H THR A 109 92.759 -3.225 -1.591 1.00 0.00 H new ATOM 0 HA THR A 109 93.097 -6.163 -1.321 1.00 0.00 H new ATOM 0 HB THR A 109 94.990 -4.095 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.483 -5.245 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.320 -6.086 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.139 -5.982 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.154 -7.136 -2.337 1.00 0.00 H new ATOM 1575 N VAL A 110 94.575 -5.941 0.684 1.00 0.00 N ATOM 1576 CA VAL A 110 95.254 -5.817 1.970 1.00 0.00 C ATOM 1577 C VAL A 110 96.611 -6.512 1.918 1.00 0.00 C ATOM 1578 O VAL A 110 96.748 -7.596 1.350 1.00 0.00 O ATOM 1579 CB VAL A 110 94.388 -6.427 3.076 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.165 -6.402 4.396 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.065 -5.658 3.216 1.00 0.00 C ATOM 0 H VAL A 110 94.367 -6.902 0.412 1.00 0.00 H new ATOM 0 HA VAL A 110 95.413 -4.761 2.187 1.00 0.00 H new ATOM 0 HB VAL A 110 94.149 -7.458 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.553 -6.835 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.082 -6.981 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.413 -5.372 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.465 -6.108 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.274 -4.618 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.517 -5.703 2.275 1.00 0.00 H new ATOM 1591 N LEU A 111 97.614 -5.868 2.503 1.00 0.00 N ATOM 1592 CA LEU A 111 98.973 -6.396 2.498 1.00 0.00 C ATOM 1593 C LEU A 111 99.232 -7.209 3.761 1.00 0.00 C ATOM 1594 O LEU A 111 100.223 -6.949 4.426 1.00 0.00 O ATOM 1595 CB LEU A 111 99.962 -5.230 2.432 1.00 0.00 C ATOM 1596 CG LEU A 111 99.663 -4.349 1.211 1.00 0.00 C ATOM 1597 CD1 LEU A 111 100.088 -2.907 1.493 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.434 -4.851 -0.012 1.00 0.00 C ATOM 1599 OXT LEU A 111 98.406 -8.060 4.097 1.00 0.00 O ATOM 0 H LEU A 111 97.511 -4.977 2.988 1.00 0.00 H new ATOM 0 HA LEU A 111 99.100 -7.045 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 111 99.896 -4.636 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 111 100.981 -5.611 2.373 1.00 0.00 H new ATOM 0 HG LEU A 111 98.592 -4.394 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.873 -2.287 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.537 -2.527 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 111 101.157 -2.877 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.211 -4.215 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.504 -4.820 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.137 -5.876 -0.234 1.00 0.00 H new TER 1611 LEU A 111