USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1038 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 85 SER OG : rot -140:sc= -1.27 USER MOD Set 1.2: A 87 ASN : amide:sc= -1.27 K(o=-2.5,f=-0.81) USER MOD Set 2.1: A 63 SER OG : rot -56:sc= 1.11 USER MOD Set 2.2: A 66 ASN : amide:sc= 1.46 K(o=2.6,f=-4!) USER MOD Set 3.1: A 1 SER OG : rot 180:sc= -0.225 USER MOD Set 3.2: A -1 HIS : no HD1:sc= -0.206 X(o=-0.43,f=0.0031) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.041) USER MOD Single : A -5 HIS N :NH3+ -120:sc= 0.133 (180deg=-0.0101) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.101 (180deg=-0.799) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.83) USER MOD Single : A 23 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.13) USER MOD Single : A 24 MET CE :methyl -155:sc= -0.183 (180deg=-1.43) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0065 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0266 (180deg=-0.257) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.0947 X(o=-0.095,f=-0.15) USER MOD Single : A 48 SER OG : rot 49:sc= 1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 57 SER OG : rot 3:sc= 0.637! USER MOD Single : A 58 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= -2.13 (180deg=-3.51!) USER MOD Single : A 60 GLN : amide:sc= -0.855 K(o=-0.85,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.736 USER MOD Single : A 77 HIS : no HD1:sc= -2.03 K(o=-2,f=-4.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 164:sc= 0.0224 USER MOD Single : A 101 ASN : amide:sc= -2.56 K(o=-2.6,f=-5.7!) USER MOD Single : A 106 LYS NZ :NH3+ -121:sc= -0.995 (180deg=-3.24!) USER MOD Single : A 109 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.26) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc=-0.000767 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 76:sc= 0.351 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.442 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 140 LYS NZ :NH3+ 153:sc= -0.188 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -5 72.719 -21.684 32.531 1.00 0.00 N ATOM 2 CA HIS A -5 72.368 -20.791 31.392 1.00 0.00 C ATOM 3 C HIS A -5 71.459 -21.539 30.423 1.00 0.00 C ATOM 4 O HIS A -5 71.292 -22.755 30.527 1.00 0.00 O ATOM 5 CB HIS A -5 73.648 -20.356 30.675 1.00 0.00 C ATOM 6 CG HIS A -5 74.563 -19.527 31.535 1.00 0.00 C ATOM 7 ND1 HIS A -5 75.572 -20.090 32.298 1.00 0.00 N ATOM 8 CD2 HIS A -5 74.632 -18.174 31.762 1.00 0.00 C ATOM 9 CE1 HIS A -5 76.200 -19.090 32.942 1.00 0.00 C ATOM 10 NE2 HIS A -5 75.668 -17.901 32.652 1.00 0.00 N ATOM 0 H1 HIS A -5 72.389 -21.258 33.421 1.00 0.00 H new ATOM 0 H2 HIS A -5 72.263 -22.609 32.400 1.00 0.00 H new ATOM 0 H3 HIS A -5 73.751 -21.809 32.569 1.00 0.00 H new ATOM 0 HA HIS A -5 71.847 -19.909 31.763 1.00 0.00 H new ATOM 0 HB2 HIS A -5 74.185 -21.242 30.336 1.00 0.00 H new ATOM 0 HB3 HIS A -5 73.381 -19.785 29.786 1.00 0.00 H new ATOM 0 HD2 HIS A -5 73.982 -17.435 31.318 1.00 0.00 H new ATOM 0 HE1 HIS A -5 77.034 -19.232 33.613 1.00 0.00 H new ATOM 0 HE2 HIS A -5 75.958 -16.989 33.006 1.00 0.00 H new ATOM 20 N HIS A -4 70.873 -20.805 29.481 1.00 0.00 N ATOM 21 CA HIS A -4 69.977 -21.401 28.493 1.00 0.00 C ATOM 22 C HIS A -4 70.532 -21.208 27.085 1.00 0.00 C ATOM 23 O HIS A -4 71.066 -20.148 26.759 1.00 0.00 O ATOM 24 CB HIS A -4 68.594 -20.755 28.588 1.00 0.00 C ATOM 25 CG HIS A -4 67.906 -21.006 29.902 1.00 0.00 C ATOM 26 ND1 HIS A -4 68.023 -20.136 30.975 1.00 0.00 N ATOM 27 CD2 HIS A -4 67.088 -22.023 30.330 1.00 0.00 C ATOM 28 CE1 HIS A -4 67.296 -20.641 31.987 1.00 0.00 C ATOM 29 NE2 HIS A -4 66.705 -21.790 31.649 1.00 0.00 N ATOM 0 H HIS A -4 71.002 -19.798 29.381 1.00 0.00 H new ATOM 0 HA HIS A -4 69.896 -22.468 28.699 1.00 0.00 H new ATOM 0 HB2 HIS A -4 68.692 -19.680 28.437 1.00 0.00 H new ATOM 0 HB3 HIS A -4 67.968 -21.134 27.780 1.00 0.00 H new ATOM 0 HD2 HIS A -4 66.788 -22.873 29.735 1.00 0.00 H new ATOM 0 HE1 HIS A -4 67.201 -20.174 32.956 1.00 0.00 H new ATOM 0 HE2 HIS A -4 66.103 -22.372 32.231 1.00 0.00 H new ATOM 37 N HIS A -3 70.402 -22.239 26.255 1.00 0.00 N ATOM 38 CA HIS A -3 70.892 -22.180 24.879 1.00 0.00 C ATOM 39 C HIS A -3 69.736 -22.325 23.895 1.00 0.00 C ATOM 40 O HIS A -3 68.832 -23.135 24.099 1.00 0.00 O ATOM 41 CB HIS A -3 71.905 -23.301 24.642 1.00 0.00 C ATOM 42 CG HIS A -3 73.150 -23.169 25.477 1.00 0.00 C ATOM 43 ND1 HIS A -3 73.273 -23.770 26.720 1.00 0.00 N ATOM 44 CD2 HIS A -3 74.335 -22.508 25.262 1.00 0.00 C ATOM 45 CE1 HIS A -3 74.490 -23.463 27.201 1.00 0.00 C ATOM 46 NE2 HIS A -3 75.180 -22.695 26.353 1.00 0.00 N ATOM 0 H HIS A -3 69.963 -23.124 26.509 1.00 0.00 H new ATOM 0 HA HIS A -3 71.371 -21.214 24.722 1.00 0.00 H new ATOM 0 HB2 HIS A -3 71.432 -24.259 24.857 1.00 0.00 H new ATOM 0 HB3 HIS A -3 72.183 -23.312 23.588 1.00 0.00 H new ATOM 0 HD2 HIS A -3 74.575 -21.931 24.381 1.00 0.00 H new ATOM 0 HE1 HIS A -3 74.865 -23.797 28.157 1.00 0.00 H new ATOM 0 HE2 HIS A -3 76.122 -22.325 26.478 1.00 0.00 H new ATOM 54 N HIS A -2 69.772 -21.533 22.826 1.00 0.00 N ATOM 55 CA HIS A -2 68.725 -21.572 21.808 1.00 0.00 C ATOM 56 C HIS A -2 69.317 -21.914 20.446 1.00 0.00 C ATOM 57 O HIS A -2 70.411 -21.463 20.104 1.00 0.00 O ATOM 58 CB HIS A -2 68.024 -20.215 21.733 1.00 0.00 C ATOM 59 CG HIS A -2 67.350 -19.818 23.018 1.00 0.00 C ATOM 60 ND1 HIS A -2 66.212 -20.456 23.485 1.00 0.00 N ATOM 61 CD2 HIS A -2 67.642 -18.847 23.946 1.00 0.00 C ATOM 62 CE1 HIS A -2 65.864 -19.869 24.644 1.00 0.00 C ATOM 63 NE2 HIS A -2 66.702 -18.882 24.972 1.00 0.00 N ATOM 0 H HIS A -2 70.514 -20.857 22.642 1.00 0.00 H new ATOM 0 HA HIS A -2 68.003 -22.341 22.082 1.00 0.00 H new ATOM 0 HB2 HIS A -2 68.754 -19.452 21.464 1.00 0.00 H new ATOM 0 HB3 HIS A -2 67.282 -20.242 20.935 1.00 0.00 H new ATOM 0 HD2 HIS A -2 68.474 -18.161 23.888 1.00 0.00 H new ATOM 0 HE1 HIS A -2 65.010 -20.160 25.238 1.00 0.00 H new ATOM 0 HE2 HIS A -2 66.662 -18.283 25.797 1.00 0.00 H new ATOM 71 N HIS A -1 68.589 -22.713 19.672 1.00 0.00 N ATOM 72 CA HIS A -1 69.044 -23.116 18.343 1.00 0.00 C ATOM 73 C HIS A -1 68.013 -22.731 17.286 1.00 0.00 C ATOM 74 O HIS A -1 66.817 -22.963 17.460 1.00 0.00 O ATOM 75 CB HIS A -1 69.270 -24.628 18.307 1.00 0.00 C ATOM 76 CG HIS A -1 69.775 -25.126 16.980 1.00 0.00 C ATOM 77 ND1 HIS A -1 68.923 -25.612 16.001 1.00 0.00 N ATOM 78 CD2 HIS A -1 71.041 -25.220 16.456 1.00 0.00 C ATOM 79 CE1 HIS A -1 69.679 -25.973 14.949 1.00 0.00 C ATOM 80 NE2 HIS A -1 70.977 -25.755 15.172 1.00 0.00 N ATOM 0 H HIS A -1 67.682 -23.095 19.941 1.00 0.00 H new ATOM 0 HA HIS A -1 69.981 -22.602 18.127 1.00 0.00 H new ATOM 0 HB2 HIS A -1 69.984 -24.900 19.084 1.00 0.00 H new ATOM 0 HB3 HIS A -1 68.334 -25.133 18.544 1.00 0.00 H new ATOM 0 HD2 HIS A -1 71.948 -24.924 16.963 1.00 0.00 H new ATOM 0 HE1 HIS A -1 69.284 -26.389 14.034 1.00 0.00 H new ATOM 0 HE2 HIS A -1 71.754 -25.940 14.538 1.00 0.00 H new ATOM 88 N HIS A 0 68.486 -22.140 16.192 1.00 0.00 N ATOM 89 CA HIS A 0 67.602 -21.721 15.108 1.00 0.00 C ATOM 90 C HIS A 0 68.062 -22.321 13.783 1.00 0.00 C ATOM 91 O HIS A 0 69.253 -22.331 13.475 1.00 0.00 O ATOM 92 CB HIS A 0 67.598 -20.195 15.002 1.00 0.00 C ATOM 93 CG HIS A 0 66.653 -19.671 13.955 1.00 0.00 C ATOM 94 ND1 HIS A 0 65.278 -19.806 14.066 1.00 0.00 N ATOM 95 CD2 HIS A 0 66.870 -19.008 12.771 1.00 0.00 C ATOM 96 CE1 HIS A 0 64.725 -19.238 12.980 1.00 0.00 C ATOM 97 NE2 HIS A 0 65.650 -18.736 12.157 1.00 0.00 N ATOM 0 H HIS A 0 69.474 -21.941 16.033 1.00 0.00 H new ATOM 0 HA HIS A 0 66.594 -22.075 15.326 1.00 0.00 H new ATOM 0 HB2 HIS A 0 67.328 -19.772 15.969 1.00 0.00 H new ATOM 0 HB3 HIS A 0 68.607 -19.851 14.775 1.00 0.00 H new ATOM 0 HD2 HIS A 0 67.839 -18.739 12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 0 63.662 -19.193 12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 0 65.496 -18.257 11.270 1.00 0.00 H new ATOM 105 N SER A 1 67.107 -22.820 13.001 1.00 0.00 N ATOM 106 CA SER A 1 67.416 -23.423 11.707 1.00 0.00 C ATOM 107 C SER A 1 66.710 -22.669 10.584 1.00 0.00 C ATOM 108 O SER A 1 65.614 -22.141 10.773 1.00 0.00 O ATOM 109 CB SER A 1 66.970 -24.886 11.696 1.00 0.00 C ATOM 110 OG SER A 1 67.627 -25.581 12.747 1.00 0.00 O ATOM 0 H SER A 1 66.115 -22.819 13.240 1.00 0.00 H new ATOM 0 HA SER A 1 68.493 -23.368 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 1 65.889 -24.950 11.821 1.00 0.00 H new ATOM 0 HB3 SER A 1 67.208 -25.344 10.736 1.00 0.00 H new ATOM 0 HG SER A 1 67.344 -26.519 12.746 1.00 0.00 H new ATOM 116 N SER A 2 67.347 -22.622 9.417 1.00 0.00 N ATOM 117 CA SER A 2 66.779 -21.930 8.263 1.00 0.00 C ATOM 118 C SER A 2 66.624 -22.892 7.088 1.00 0.00 C ATOM 119 O SER A 2 67.451 -23.780 6.888 1.00 0.00 O ATOM 120 CB SER A 2 67.688 -20.771 7.854 1.00 0.00 C ATOM 121 OG SER A 2 67.067 -20.037 6.807 1.00 0.00 O ATOM 0 H SER A 2 68.255 -23.054 9.245 1.00 0.00 H new ATOM 0 HA SER A 2 65.797 -21.545 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 67.875 -20.121 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 68.655 -21.150 7.524 1.00 0.00 H new ATOM 0 HG SER A 2 67.645 -19.291 6.542 1.00 0.00 H new ATOM 127 N GLY A 3 65.559 -22.706 6.315 1.00 0.00 N ATOM 128 CA GLY A 3 65.307 -23.564 5.162 1.00 0.00 C ATOM 129 C GLY A 3 64.347 -22.897 4.184 1.00 0.00 C ATOM 130 O GLY A 3 63.921 -21.761 4.393 1.00 0.00 O ATOM 0 H GLY A 3 64.862 -21.976 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 3 66.247 -23.788 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 3 64.890 -24.514 5.496 1.00 0.00 H new ATOM 134 N LEU A 4 64.009 -23.611 3.115 1.00 0.00 N ATOM 135 CA LEU A 4 63.101 -23.079 2.105 1.00 0.00 C ATOM 136 C LEU A 4 61.697 -23.644 2.297 1.00 0.00 C ATOM 137 O LEU A 4 61.520 -24.851 2.454 1.00 0.00 O ATOM 138 CB LEU A 4 63.611 -23.438 0.707 1.00 0.00 C ATOM 139 CG LEU A 4 62.744 -22.749 -0.350 1.00 0.00 C ATOM 140 CD1 LEU A 4 63.030 -21.247 -0.344 1.00 0.00 C ATOM 141 CD2 LEU A 4 63.073 -23.323 -1.729 1.00 0.00 C ATOM 0 H LEU A 4 64.348 -24.554 2.926 1.00 0.00 H new ATOM 0 HA LEU A 4 63.061 -21.995 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 4 64.650 -23.128 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 63.584 -24.518 0.566 1.00 0.00 H new ATOM 0 HG LEU A 4 61.691 -22.920 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 4 62.413 -20.756 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 4 62.799 -20.837 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 4 64.082 -21.076 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 4 62.457 -22.834 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 4 64.126 -23.151 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 4 62.871 -24.394 -1.735 1.00 0.00 H new ATOM 153 N VAL A 5 60.702 -22.760 2.285 1.00 0.00 N ATOM 154 CA VAL A 5 59.310 -23.172 2.457 1.00 0.00 C ATOM 155 C VAL A 5 58.494 -22.835 1.206 1.00 0.00 C ATOM 156 O VAL A 5 58.909 -21.985 0.417 1.00 0.00 O ATOM 157 CB VAL A 5 58.703 -22.466 3.672 1.00 0.00 C ATOM 158 CG1 VAL A 5 59.464 -22.875 4.934 1.00 0.00 C ATOM 159 CG2 VAL A 5 58.802 -20.948 3.491 1.00 0.00 C ATOM 0 H VAL A 5 60.833 -21.756 2.158 1.00 0.00 H new ATOM 0 HA VAL A 5 59.285 -24.250 2.615 1.00 0.00 H new ATOM 0 HB VAL A 5 57.656 -22.752 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 5 59.031 -22.372 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 5 59.392 -23.954 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.512 -22.591 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 5 58.369 -20.449 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.849 -20.661 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.259 -20.652 2.593 1.00 0.00 H new ATOM 169 N PRO A 6 57.358 -23.469 1.000 1.00 0.00 N ATOM 170 CA PRO A 6 56.515 -23.188 -0.198 1.00 0.00 C ATOM 171 C PRO A 6 55.610 -21.976 0.005 1.00 0.00 C ATOM 172 O PRO A 6 55.219 -21.662 1.130 1.00 0.00 O ATOM 173 CB PRO A 6 55.691 -24.464 -0.360 1.00 0.00 C ATOM 174 CG PRO A 6 55.533 -25.007 1.022 1.00 0.00 C ATOM 175 CD PRO A 6 56.730 -24.513 1.840 1.00 0.00 C ATOM 0 HA PRO A 6 57.115 -22.945 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 6 54.722 -24.252 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 6 56.197 -25.179 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 6 54.597 -24.666 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 6 55.500 -26.096 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 6 56.412 -24.109 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 6 57.427 -25.324 2.050 1.00 0.00 H new ATOM 183 N ARG A 7 55.280 -21.300 -1.091 1.00 0.00 N ATOM 184 CA ARG A 7 54.417 -20.127 -1.023 1.00 0.00 C ATOM 185 C ARG A 7 53.610 -19.978 -2.309 1.00 0.00 C ATOM 186 O ARG A 7 53.940 -20.577 -3.332 1.00 0.00 O ATOM 187 CB ARG A 7 55.261 -18.871 -0.786 1.00 0.00 C ATOM 188 CG ARG A 7 56.273 -18.704 -1.922 1.00 0.00 C ATOM 189 CD ARG A 7 57.139 -17.471 -1.657 1.00 0.00 C ATOM 190 NE ARG A 7 58.045 -17.719 -0.532 1.00 0.00 N ATOM 191 CZ ARG A 7 58.523 -16.748 0.262 1.00 0.00 C ATOM 192 NH1 ARG A 7 58.213 -15.486 0.088 1.00 0.00 N ATOM 193 NH2 ARG A 7 59.325 -17.071 1.240 1.00 0.00 N ATOM 0 H ARG A 7 55.595 -21.542 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 7 53.723 -20.255 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 7 54.616 -17.994 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 7 55.781 -18.946 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 7 56.900 -19.592 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 7 55.753 -18.598 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 7 57.715 -17.224 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 7 56.504 -16.612 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 7 58.327 -18.681 -0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 7 57.589 -15.214 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 7 58.596 -14.776 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 7 59.578 -18.048 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 7 59.698 -16.347 1.854 1.00 0.00 H new ATOM 207 N GLY A 8 52.552 -19.177 -2.248 1.00 0.00 N ATOM 208 CA GLY A 8 51.703 -18.960 -3.414 1.00 0.00 C ATOM 209 C GLY A 8 52.280 -17.874 -4.315 1.00 0.00 C ATOM 210 O GLY A 8 53.354 -17.337 -4.047 1.00 0.00 O ATOM 0 H GLY A 8 52.263 -18.671 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 8 51.605 -19.889 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 8 50.701 -18.676 -3.091 1.00 0.00 H new ATOM 214 N SER A 9 51.558 -17.555 -5.385 1.00 0.00 N ATOM 215 CA SER A 9 52.009 -16.532 -6.321 1.00 0.00 C ATOM 216 C SER A 9 52.097 -15.175 -5.630 1.00 0.00 C ATOM 217 O SER A 9 51.407 -14.925 -4.641 1.00 0.00 O ATOM 218 CB SER A 9 51.042 -16.442 -7.502 1.00 0.00 C ATOM 219 OG SER A 9 50.955 -17.714 -8.130 1.00 0.00 O ATOM 0 H SER A 9 50.665 -17.987 -5.624 1.00 0.00 H new ATOM 0 HA SER A 9 52.999 -16.809 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.058 -16.124 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 9 51.388 -15.694 -8.215 1.00 0.00 H new ATOM 0 HG SER A 9 50.335 -17.663 -8.887 1.00 0.00 H new ATOM 225 N GLY A 10 52.951 -14.303 -6.157 1.00 0.00 N ATOM 226 CA GLY A 10 53.123 -12.974 -5.581 1.00 0.00 C ATOM 227 C GLY A 10 54.118 -12.153 -6.393 1.00 0.00 C ATOM 228 O GLY A 10 54.575 -12.584 -7.452 1.00 0.00 O ATOM 0 H GLY A 10 53.530 -14.490 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.162 -12.460 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.472 -13.062 -4.552 1.00 0.00 H new ATOM 232 N MET A 11 54.451 -10.968 -5.889 1.00 0.00 N ATOM 233 CA MET A 11 55.399 -10.086 -6.567 1.00 0.00 C ATOM 234 C MET A 11 56.603 -9.811 -5.672 1.00 0.00 C ATOM 235 O MET A 11 56.503 -9.866 -4.446 1.00 0.00 O ATOM 236 CB MET A 11 54.716 -8.764 -6.923 1.00 0.00 C ATOM 237 CG MET A 11 53.614 -9.019 -7.952 1.00 0.00 C ATOM 238 SD MET A 11 52.885 -7.441 -8.458 1.00 0.00 S ATOM 239 CE MET A 11 51.589 -8.121 -9.522 1.00 0.00 C ATOM 0 H MET A 11 54.080 -10.596 -5.015 1.00 0.00 H new ATOM 0 HA MET A 11 55.740 -10.577 -7.478 1.00 0.00 H new ATOM 0 HB2 MET A 11 54.293 -8.308 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 55.447 -8.061 -7.324 1.00 0.00 H new ATOM 0 HG2 MET A 11 54.024 -9.537 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 11 52.847 -9.666 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 11 51.004 -7.306 -9.949 1.00 0.00 H new ATOM 0 HE2 MET A 11 52.044 -8.701 -10.325 1.00 0.00 H new ATOM 0 HE3 MET A 11 50.937 -8.766 -8.934 1.00 0.00 H new ATOM 249 N LYS A 12 57.740 -9.515 -6.291 1.00 0.00 N ATOM 250 CA LYS A 12 58.959 -9.241 -5.539 1.00 0.00 C ATOM 251 C LYS A 12 59.115 -7.744 -5.292 1.00 0.00 C ATOM 252 O LYS A 12 58.790 -6.926 -6.152 1.00 0.00 O ATOM 253 CB LYS A 12 60.175 -9.763 -6.308 1.00 0.00 C ATOM 254 CG LYS A 12 60.032 -11.270 -6.531 1.00 0.00 C ATOM 255 CD LYS A 12 61.347 -11.843 -7.066 1.00 0.00 C ATOM 256 CE LYS A 12 61.642 -11.258 -8.449 1.00 0.00 C ATOM 257 NZ LYS A 12 60.509 -11.561 -9.369 1.00 0.00 N ATOM 0 H LYS A 12 57.844 -9.459 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 12 58.891 -9.749 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 12 60.260 -9.250 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 12 61.088 -9.552 -5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 12 59.765 -11.761 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 12 59.225 -11.467 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 12 62.162 -11.609 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 12 61.283 -12.929 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 12 61.787 -10.180 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 12 62.567 -11.678 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 60.880 -11.779 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 59.978 -12.379 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 59.878 -10.736 -9.425 1.00 0.00 H new ATOM 271 N GLU A 13 59.615 -7.394 -4.111 1.00 0.00 N ATOM 272 CA GLU A 13 59.825 -5.994 -3.752 1.00 0.00 C ATOM 273 C GLU A 13 61.316 -5.690 -3.650 1.00 0.00 C ATOM 274 O GLU A 13 62.128 -6.589 -3.433 1.00 0.00 O ATOM 275 CB GLU A 13 59.150 -5.693 -2.413 1.00 0.00 C ATOM 276 CG GLU A 13 57.639 -5.924 -2.536 1.00 0.00 C ATOM 277 CD GLU A 13 56.899 -5.554 -1.247 1.00 0.00 C ATOM 278 OE1 GLU A 13 57.543 -5.318 -0.234 1.00 0.00 O ATOM 279 OE2 GLU A 13 55.680 -5.510 -1.292 1.00 0.00 O ATOM 0 H GLU A 13 59.882 -8.060 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 13 59.387 -5.367 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 13 59.564 -6.333 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 13 59.348 -4.663 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 13 57.247 -5.331 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 57.450 -6.970 -2.776 1.00 0.00 H new ATOM 286 N THR A 14 61.669 -4.418 -3.809 1.00 0.00 N ATOM 287 CA THR A 14 63.068 -4.012 -3.734 1.00 0.00 C ATOM 288 C THR A 14 63.523 -3.929 -2.281 1.00 0.00 C ATOM 289 O THR A 14 62.702 -3.816 -1.370 1.00 0.00 O ATOM 290 CB THR A 14 63.262 -2.651 -4.409 1.00 0.00 C ATOM 291 OG1 THR A 14 62.527 -1.664 -3.699 1.00 0.00 O ATOM 292 CG2 THR A 14 62.775 -2.712 -5.858 1.00 0.00 C ATOM 0 H THR A 14 61.013 -3.658 -3.989 1.00 0.00 H new ATOM 0 HA THR A 14 63.669 -4.760 -4.252 1.00 0.00 H new ATOM 0 HB THR A 14 64.321 -2.394 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 14 62.651 -0.792 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 62.917 -1.740 -6.331 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.344 -3.466 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 14 61.717 -2.973 -5.876 1.00 0.00 H new ATOM 300 N ALA A 15 64.833 -3.987 -2.072 1.00 0.00 N ATOM 301 CA ALA A 15 65.385 -3.928 -0.723 1.00 0.00 C ATOM 302 C ALA A 15 66.738 -3.222 -0.726 1.00 0.00 C ATOM 303 O ALA A 15 67.416 -3.166 -1.751 1.00 0.00 O ATOM 304 CB ALA A 15 65.547 -5.342 -0.163 1.00 0.00 C ATOM 0 H ALA A 15 65.529 -4.074 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 15 64.696 -3.364 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 65.960 -5.289 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 64.575 -5.835 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 66.222 -5.911 -0.802 1.00 0.00 H new ATOM 310 N ALA A 16 67.121 -2.686 0.428 1.00 0.00 N ATOM 311 CA ALA A 16 68.398 -1.992 0.552 1.00 0.00 C ATOM 312 C ALA A 16 69.434 -2.895 1.213 1.00 0.00 C ATOM 313 O ALA A 16 69.104 -3.704 2.079 1.00 0.00 O ATOM 314 CB ALA A 16 68.221 -0.721 1.386 1.00 0.00 C ATOM 0 H ALA A 16 66.570 -2.718 1.286 1.00 0.00 H new ATOM 0 HA ALA A 16 68.746 -1.727 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.178 -0.208 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.501 -0.064 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.858 -0.985 2.379 1.00 0.00 H new ATOM 320 N ALA A 17 70.689 -2.751 0.798 1.00 0.00 N ATOM 321 CA ALA A 17 71.763 -3.566 1.351 1.00 0.00 C ATOM 322 C ALA A 17 71.888 -3.342 2.855 1.00 0.00 C ATOM 323 O ALA A 17 71.682 -2.232 3.345 1.00 0.00 O ATOM 324 CB ALA A 17 73.089 -3.217 0.669 1.00 0.00 C ATOM 0 H ALA A 17 70.985 -2.083 0.086 1.00 0.00 H new ATOM 0 HA ALA A 17 71.526 -4.615 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 17 73.886 -3.831 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 17 73.009 -3.408 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 17 73.317 -2.164 0.834 1.00 0.00 H new ATOM 330 N LYS A 18 72.228 -4.404 3.580 1.00 0.00 N ATOM 331 CA LYS A 18 72.378 -4.323 5.032 1.00 0.00 C ATOM 332 C LYS A 18 73.776 -4.768 5.446 1.00 0.00 C ATOM 333 O LYS A 18 74.379 -5.629 4.804 1.00 0.00 O ATOM 334 CB LYS A 18 71.339 -5.212 5.723 1.00 0.00 C ATOM 335 CG LYS A 18 69.926 -4.834 5.266 1.00 0.00 C ATOM 336 CD LYS A 18 69.605 -3.402 5.702 1.00 0.00 C ATOM 337 CE LYS A 18 68.135 -3.097 5.407 1.00 0.00 C ATOM 338 NZ LYS A 18 67.697 -1.926 6.219 1.00 0.00 N ATOM 0 H LYS A 18 72.405 -5.329 3.188 1.00 0.00 H new ATOM 0 HA LYS A 18 72.226 -3.287 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 71.535 -6.259 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 18 71.420 -5.104 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 69.850 -4.920 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 18 69.199 -5.525 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 18 69.806 -3.281 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 18 70.247 -2.697 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 18 68.002 -2.887 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 67.519 -3.965 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 66.698 -1.719 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 67.809 -2.143 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 68.278 -1.098 5.976 1.00 0.00 H new ATOM 352 N PHE A 19 74.288 -4.177 6.522 1.00 0.00 N ATOM 353 CA PHE A 19 75.617 -4.521 7.019 1.00 0.00 C ATOM 354 C PHE A 19 75.511 -5.357 8.291 1.00 0.00 C ATOM 355 O PHE A 19 74.745 -5.031 9.197 1.00 0.00 O ATOM 356 CB PHE A 19 76.407 -3.245 7.312 1.00 0.00 C ATOM 357 CG PHE A 19 76.646 -2.392 6.089 1.00 0.00 C ATOM 358 CD1 PHE A 19 77.734 -2.662 5.250 1.00 0.00 C ATOM 359 CD2 PHE A 19 75.781 -1.332 5.794 1.00 0.00 C ATOM 360 CE1 PHE A 19 77.956 -1.872 4.115 1.00 0.00 C ATOM 361 CE2 PHE A 19 76.003 -0.541 4.661 1.00 0.00 C ATOM 362 CZ PHE A 19 77.091 -0.811 3.821 1.00 0.00 C ATOM 0 H PHE A 19 73.805 -3.461 7.065 1.00 0.00 H new ATOM 0 HA PHE A 19 76.133 -5.103 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 75.870 -2.657 8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 19 77.368 -3.514 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 19 78.402 -3.479 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 19 74.942 -1.124 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 19 78.794 -2.081 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 19 75.336 0.277 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 77.263 -0.201 2.947 1.00 0.00 H new ATOM 372 N GLU A 20 76.287 -6.436 8.350 1.00 0.00 N ATOM 373 CA GLU A 20 76.279 -7.320 9.513 1.00 0.00 C ATOM 374 C GLU A 20 77.597 -7.211 10.274 1.00 0.00 C ATOM 375 O GLU A 20 78.636 -6.897 9.693 1.00 0.00 O ATOM 376 CB GLU A 20 76.066 -8.771 9.074 1.00 0.00 C ATOM 377 CG GLU A 20 74.689 -8.920 8.415 1.00 0.00 C ATOM 378 CD GLU A 20 74.690 -8.387 6.980 1.00 0.00 C ATOM 379 OE1 GLU A 20 75.758 -8.257 6.400 1.00 0.00 O ATOM 380 OE2 GLU A 20 73.613 -8.114 6.478 1.00 0.00 O ATOM 0 H GLU A 20 76.928 -6.719 7.609 1.00 0.00 H new ATOM 0 HA GLU A 20 75.462 -7.016 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.848 -9.067 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.141 -9.435 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.398 -9.970 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.944 -8.383 9.002 1.00 0.00 H new ATOM 387 N ARG A 21 77.545 -7.472 11.577 1.00 0.00 N ATOM 388 CA ARG A 21 78.741 -7.405 12.408 1.00 0.00 C ATOM 389 C ARG A 21 79.573 -8.673 12.242 1.00 0.00 C ATOM 390 O ARG A 21 79.030 -9.756 12.024 1.00 0.00 O ATOM 391 CB ARG A 21 78.349 -7.232 13.876 1.00 0.00 C ATOM 392 CG ARG A 21 79.599 -6.958 14.713 1.00 0.00 C ATOM 393 CD ARG A 21 79.211 -6.835 16.188 1.00 0.00 C ATOM 394 NE ARG A 21 80.376 -6.439 16.987 1.00 0.00 N ATOM 395 CZ ARG A 21 81.249 -7.316 17.506 1.00 0.00 C ATOM 396 NH1 ARG A 21 81.127 -8.610 17.337 1.00 0.00 N ATOM 397 NH2 ARG A 21 82.254 -6.863 18.204 1.00 0.00 N ATOM 0 H ARG A 21 76.694 -7.730 12.077 1.00 0.00 H new ATOM 0 HA ARG A 21 79.337 -6.548 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 21 77.642 -6.409 13.979 1.00 0.00 H new ATOM 0 HB3 ARG A 21 77.847 -8.130 14.237 1.00 0.00 H new ATOM 0 HG2 ARG A 21 80.321 -7.764 14.582 1.00 0.00 H new ATOM 0 HG3 ARG A 21 80.081 -6.041 14.375 1.00 0.00 H new ATOM 0 HD2 ARG A 21 78.415 -6.099 16.302 1.00 0.00 H new ATOM 0 HD3 ARG A 21 78.819 -7.786 16.549 1.00 0.00 H new ATOM 0 HE ARG A 21 80.530 -5.445 17.157 1.00 0.00 H new ATOM 0 HH11 ARG A 21 80.347 -8.982 16.795 1.00 0.00 H new ATOM 0 HH12 ARG A 21 81.812 -9.245 17.748 1.00 0.00 H new ATOM 0 HH21 ARG A 21 82.365 -5.859 18.346 1.00 0.00 H new ATOM 0 HH22 ARG A 21 82.929 -7.513 18.607 1.00 0.00 H new ATOM 411 N GLN A 22 80.891 -8.533 12.347 1.00 0.00 N ATOM 412 CA GLN A 22 81.791 -9.669 12.175 1.00 0.00 C ATOM 413 C GLN A 22 82.909 -9.649 13.216 1.00 0.00 C ATOM 414 O GLN A 22 83.139 -8.636 13.877 1.00 0.00 O ATOM 415 CB GLN A 22 82.370 -9.660 10.753 1.00 0.00 C ATOM 416 CG GLN A 22 83.259 -8.430 10.536 1.00 0.00 C ATOM 417 CD GLN A 22 83.592 -8.282 9.055 1.00 0.00 C ATOM 418 OE1 GLN A 22 82.727 -8.474 8.201 1.00 0.00 O ATOM 419 NE2 GLN A 22 84.803 -7.949 8.698 1.00 0.00 N ATOM 0 H GLN A 22 81.358 -7.649 12.549 1.00 0.00 H new ATOM 0 HA GLN A 22 81.224 -10.588 12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 22 82.950 -10.568 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 22 81.559 -9.661 10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 22 82.750 -7.535 10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 22 84.177 -8.528 11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 22 85.518 -7.790 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 22 85.034 -7.848 7.710 1.00 0.00 H new ATOM 428 N HIS A 23 83.599 -10.778 13.354 1.00 0.00 N ATOM 429 CA HIS A 23 84.686 -10.896 14.322 1.00 0.00 C ATOM 430 C HIS A 23 86.032 -10.952 13.607 1.00 0.00 C ATOM 431 O HIS A 23 86.159 -11.566 12.549 1.00 0.00 O ATOM 432 CB HIS A 23 84.503 -12.165 15.156 1.00 0.00 C ATOM 433 CG HIS A 23 83.207 -12.201 15.919 1.00 0.00 C ATOM 434 ND1 HIS A 23 82.989 -11.422 17.045 1.00 0.00 N ATOM 435 CD2 HIS A 23 82.051 -12.920 15.732 1.00 0.00 C ATOM 436 CE1 HIS A 23 81.748 -11.687 17.488 1.00 0.00 C ATOM 437 NE2 HIS A 23 81.131 -12.593 16.724 1.00 0.00 N ATOM 0 H HIS A 23 83.425 -11.623 12.809 1.00 0.00 H new ATOM 0 HA HIS A 23 84.665 -10.023 14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 23 84.552 -13.033 14.498 1.00 0.00 H new ATOM 0 HB3 HIS A 23 85.332 -12.251 15.859 1.00 0.00 H new ATOM 0 HD2 HIS A 23 81.882 -13.631 14.936 1.00 0.00 H new ATOM 0 HE1 HIS A 23 81.303 -11.224 18.356 1.00 0.00 H new ATOM 0 HE2 HIS A 23 80.189 -12.965 16.842 1.00 0.00 H new ATOM 445 N MET A 24 87.035 -10.305 14.193 1.00 0.00 N ATOM 446 CA MET A 24 88.367 -10.286 13.601 1.00 0.00 C ATOM 447 C MET A 24 89.231 -11.397 14.190 1.00 0.00 C ATOM 448 O MET A 24 89.125 -11.719 15.373 1.00 0.00 O ATOM 449 CB MET A 24 89.033 -8.932 13.853 1.00 0.00 C ATOM 450 CG MET A 24 88.246 -7.835 13.133 1.00 0.00 C ATOM 451 SD MET A 24 89.146 -6.267 13.236 1.00 0.00 S ATOM 452 CE MET A 24 89.167 -6.122 15.040 1.00 0.00 C ATOM 0 H MET A 24 86.952 -9.791 15.070 1.00 0.00 H new ATOM 0 HA MET A 24 88.268 -10.447 12.528 1.00 0.00 H new ATOM 0 HB2 MET A 24 89.069 -8.726 14.923 1.00 0.00 H new ATOM 0 HB3 MET A 24 90.063 -8.949 13.497 1.00 0.00 H new ATOM 0 HG2 MET A 24 88.093 -8.109 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 24 87.259 -7.728 13.582 1.00 0.00 H new ATOM 0 HE1 MET A 24 89.261 -5.073 15.320 1.00 0.00 H new ATOM 0 HE2 MET A 24 88.240 -6.525 15.448 1.00 0.00 H new ATOM 0 HE3 MET A 24 90.013 -6.681 15.440 1.00 0.00 H new ATOM 462 N ASP A 25 90.086 -11.981 13.354 1.00 0.00 N ATOM 463 CA ASP A 25 90.958 -13.060 13.800 1.00 0.00 C ATOM 464 C ASP A 25 92.285 -13.027 13.045 1.00 0.00 C ATOM 465 O ASP A 25 92.460 -12.243 12.113 1.00 0.00 O ATOM 466 CB ASP A 25 90.270 -14.414 13.590 1.00 0.00 C ATOM 467 CG ASP A 25 90.013 -14.672 12.105 1.00 0.00 C ATOM 468 OD1 ASP A 25 89.848 -13.713 11.368 1.00 0.00 O ATOM 469 OD2 ASP A 25 89.978 -15.832 11.728 1.00 0.00 O ATOM 0 H ASP A 25 90.192 -11.727 12.372 1.00 0.00 H new ATOM 0 HA ASP A 25 91.160 -12.923 14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 25 90.893 -15.210 13.999 1.00 0.00 H new ATOM 0 HB3 ASP A 25 89.326 -14.435 14.135 1.00 0.00 H new ATOM 474 N SER A 26 93.215 -13.882 13.455 1.00 0.00 N ATOM 475 CA SER A 26 94.524 -13.937 12.816 1.00 0.00 C ATOM 476 C SER A 26 94.388 -14.348 11.347 1.00 0.00 C ATOM 477 O SER A 26 93.430 -15.037 10.993 1.00 0.00 O ATOM 478 CB SER A 26 95.421 -14.937 13.545 1.00 0.00 C ATOM 479 OG SER A 26 95.245 -14.787 14.948 1.00 0.00 O ATOM 0 H SER A 26 93.088 -14.542 14.222 1.00 0.00 H new ATOM 0 HA SER A 26 94.972 -12.945 12.865 1.00 0.00 H new ATOM 0 HB2 SER A 26 95.173 -15.954 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 26 96.464 -14.770 13.277 1.00 0.00 H new ATOM 0 HG SER A 26 95.817 -15.428 15.420 1.00 0.00 H new ATOM 485 N PRO A 27 95.305 -13.952 10.489 1.00 0.00 N ATOM 486 CA PRO A 27 95.225 -14.307 9.042 1.00 0.00 C ATOM 487 C PRO A 27 95.788 -15.696 8.756 1.00 0.00 C ATOM 488 O PRO A 27 96.605 -16.215 9.518 1.00 0.00 O ATOM 489 CB PRO A 27 96.066 -13.226 8.363 1.00 0.00 C ATOM 490 CG PRO A 27 97.101 -12.849 9.370 1.00 0.00 C ATOM 491 CD PRO A 27 96.512 -13.139 10.753 1.00 0.00 C ATOM 0 HA PRO A 27 94.196 -14.344 8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 27 96.524 -13.600 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 27 95.455 -12.367 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 27 98.016 -13.420 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 27 97.363 -11.795 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 27 97.222 -13.678 11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 27 96.261 -12.217 11.277 1.00 0.00 H new ATOM 499 N ASP A 28 95.346 -16.292 7.654 1.00 0.00 N ATOM 500 CA ASP A 28 95.817 -17.618 7.272 1.00 0.00 C ATOM 501 C ASP A 28 97.287 -17.570 6.870 1.00 0.00 C ATOM 502 O ASP A 28 97.751 -16.584 6.296 1.00 0.00 O ATOM 503 CB ASP A 28 94.984 -18.153 6.103 1.00 0.00 C ATOM 504 CG ASP A 28 93.525 -18.330 6.522 1.00 0.00 C ATOM 505 OD1 ASP A 28 93.285 -18.607 7.686 1.00 0.00 O ATOM 506 OD2 ASP A 28 92.667 -18.187 5.667 1.00 0.00 O ATOM 0 H ASP A 28 94.667 -15.881 7.013 1.00 0.00 H new ATOM 0 HA ASP A 28 95.708 -18.282 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 28 95.045 -17.465 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 95.390 -19.107 5.766 1.00 0.00 H new ATOM 511 N LEU A 29 98.014 -18.639 7.175 1.00 0.00 N ATOM 512 CA LEU A 29 99.433 -18.708 6.841 1.00 0.00 C ATOM 513 C LEU A 29 99.624 -19.281 5.441 1.00 0.00 C ATOM 514 O LEU A 29 98.878 -20.160 5.012 1.00 0.00 O ATOM 515 CB LEU A 29 100.173 -19.583 7.858 1.00 0.00 C ATOM 516 CG LEU A 29 99.959 -19.040 9.274 1.00 0.00 C ATOM 517 CD1 LEU A 29 100.626 -19.977 10.282 1.00 0.00 C ATOM 518 CD2 LEU A 29 100.583 -17.647 9.395 1.00 0.00 C ATOM 0 H LEU A 29 97.648 -19.465 7.650 1.00 0.00 H new ATOM 0 HA LEU A 29 99.842 -17.698 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 99.813 -20.610 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 29 101.238 -19.604 7.625 1.00 0.00 H new ATOM 0 HG LEU A 29 98.890 -18.978 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 29 100.475 -19.593 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 29 100.185 -20.971 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 29 101.694 -20.036 10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 29 100.428 -17.265 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 29 101.652 -17.708 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 29 100.114 -16.975 8.677 1.00 0.00 H new ATOM 530 N GLY A 30 100.630 -18.777 4.733 1.00 0.00 N ATOM 531 CA GLY A 30 100.905 -19.239 3.377 1.00 0.00 C ATOM 532 C GLY A 30 101.192 -20.736 3.358 1.00 0.00 C ATOM 533 O GLY A 30 101.768 -21.281 4.300 1.00 0.00 O ATOM 0 H GLY A 30 101.264 -18.054 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.052 -19.020 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.758 -18.696 2.970 1.00 0.00 H new ATOM 537 N THR A 31 100.787 -21.396 2.277 1.00 0.00 N ATOM 538 CA THR A 31 100.997 -22.834 2.139 1.00 0.00 C ATOM 539 C THR A 31 101.478 -23.178 0.730 1.00 0.00 C ATOM 540 O THR A 31 101.335 -22.382 -0.196 1.00 0.00 O ATOM 541 CB THR A 31 99.698 -23.583 2.460 1.00 0.00 C ATOM 542 OG1 THR A 31 99.935 -24.982 2.404 1.00 0.00 O ATOM 543 CG2 THR A 31 98.599 -23.202 1.463 1.00 0.00 C ATOM 0 H THR A 31 100.313 -20.960 1.486 1.00 0.00 H new ATOM 0 HA THR A 31 101.768 -23.144 2.844 1.00 0.00 H new ATOM 0 HB THR A 31 99.368 -23.307 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 31 99.106 -25.463 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 31 97.684 -23.743 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 31 98.412 -22.130 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.917 -23.462 0.454 1.00 0.00 H new ATOM 551 N ASP A 32 102.047 -24.370 0.579 1.00 0.00 N ATOM 552 CA ASP A 32 102.541 -24.810 -0.720 1.00 0.00 C ATOM 553 C ASP A 32 101.381 -25.073 -1.677 1.00 0.00 C ATOM 554 O ASP A 32 100.218 -24.888 -1.321 1.00 0.00 O ATOM 555 CB ASP A 32 103.385 -26.080 -0.558 1.00 0.00 C ATOM 556 CG ASP A 32 102.584 -27.213 0.091 1.00 0.00 C ATOM 557 OD1 ASP A 32 101.365 -27.144 0.107 1.00 0.00 O ATOM 558 OD2 ASP A 32 103.212 -28.144 0.567 1.00 0.00 O ATOM 0 H ASP A 32 102.177 -25.044 1.334 1.00 0.00 H new ATOM 0 HA ASP A 32 103.162 -24.018 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 103.747 -26.403 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.262 -25.859 0.051 1.00 0.00 H new ATOM 563 N ASP A 33 101.705 -25.506 -2.891 1.00 0.00 N ATOM 564 CA ASP A 33 100.679 -25.775 -3.891 1.00 0.00 C ATOM 565 C ASP A 33 99.796 -26.940 -3.456 1.00 0.00 C ATOM 566 O ASP A 33 100.292 -28.016 -3.118 1.00 0.00 O ATOM 567 CB ASP A 33 101.331 -26.089 -5.243 1.00 0.00 C ATOM 568 CG ASP A 33 102.178 -27.359 -5.160 1.00 0.00 C ATOM 569 OD1 ASP A 33 102.676 -27.658 -4.086 1.00 0.00 O ATOM 570 OD2 ASP A 33 102.316 -28.018 -6.178 1.00 0.00 O ATOM 0 H ASP A 33 102.661 -25.677 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 33 100.056 -24.887 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 33 100.560 -26.211 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 33 101.955 -25.251 -5.553 1.00 0.00 H new ATOM 575 N ASP A 34 98.486 -26.718 -3.466 1.00 0.00 N ATOM 576 CA ASP A 34 97.541 -27.750 -3.059 1.00 0.00 C ATOM 577 C ASP A 34 96.216 -27.595 -3.801 1.00 0.00 C ATOM 578 O ASP A 34 96.056 -26.693 -4.623 1.00 0.00 O ATOM 579 CB ASP A 34 97.304 -27.679 -1.546 1.00 0.00 C ATOM 580 CG ASP A 34 96.770 -26.308 -1.121 1.00 0.00 C ATOM 581 OD1 ASP A 34 96.288 -25.569 -1.967 1.00 0.00 O ATOM 582 OD2 ASP A 34 96.853 -26.014 0.060 1.00 0.00 O ATOM 0 H ASP A 34 98.057 -25.837 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 34 97.966 -28.722 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 34 96.595 -28.453 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 34 98.237 -27.885 -1.021 1.00 0.00 H new ATOM 587 N ASP A 35 95.271 -28.481 -3.504 1.00 0.00 N ATOM 588 CA ASP A 35 93.960 -28.428 -4.140 1.00 0.00 C ATOM 589 C ASP A 35 93.266 -27.108 -3.822 1.00 0.00 C ATOM 590 O ASP A 35 93.497 -26.513 -2.770 1.00 0.00 O ATOM 591 CB ASP A 35 93.094 -29.593 -3.655 1.00 0.00 C ATOM 592 CG ASP A 35 93.709 -30.928 -4.069 1.00 0.00 C ATOM 593 OD1 ASP A 35 94.358 -30.973 -5.104 1.00 0.00 O ATOM 594 OD2 ASP A 35 93.523 -31.891 -3.344 1.00 0.00 O ATOM 0 H ASP A 35 95.387 -29.239 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 35 94.097 -28.504 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 92.995 -29.553 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 35 92.090 -29.505 -4.070 1.00 0.00 H new ATOM 599 N LYS A 36 92.415 -26.655 -4.738 1.00 0.00 N ATOM 600 CA LYS A 36 91.711 -25.392 -4.550 1.00 0.00 C ATOM 601 C LYS A 36 90.645 -25.529 -3.467 1.00 0.00 C ATOM 602 O LYS A 36 90.025 -26.582 -3.322 1.00 0.00 O ATOM 603 CB LYS A 36 91.053 -24.961 -5.863 1.00 0.00 C ATOM 604 CG LYS A 36 92.133 -24.685 -6.910 1.00 0.00 C ATOM 605 CD LYS A 36 91.481 -24.152 -8.188 1.00 0.00 C ATOM 606 CE LYS A 36 92.545 -23.991 -9.275 1.00 0.00 C ATOM 607 NZ LYS A 36 92.975 -25.335 -9.753 1.00 0.00 N ATOM 0 H LYS A 36 92.198 -27.139 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 36 92.434 -24.637 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 90.379 -25.741 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.450 -24.067 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 36 92.850 -23.960 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 36 92.687 -25.598 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 36 90.703 -24.837 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 90.999 -23.194 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 36 92.146 -23.408 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 36 93.401 -23.442 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 93.451 -25.240 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 93.632 -25.754 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 92.142 -25.950 -9.856 1.00 0.00 H new ATOM 621 N THR A 37 90.441 -24.456 -2.709 1.00 0.00 N ATOM 622 CA THR A 37 89.465 -24.460 -1.620 1.00 0.00 C ATOM 623 C THR A 37 88.434 -23.354 -1.824 1.00 0.00 C ATOM 624 O THR A 37 88.625 -22.455 -2.643 1.00 0.00 O ATOM 625 CB THR A 37 90.171 -24.254 -0.278 1.00 0.00 C ATOM 626 OG1 THR A 37 90.784 -22.972 -0.259 1.00 0.00 O ATOM 627 CG2 THR A 37 91.235 -25.336 -0.076 1.00 0.00 C ATOM 0 H THR A 37 90.937 -23.573 -2.827 1.00 0.00 H new ATOM 0 HA THR A 37 88.958 -25.425 -1.618 1.00 0.00 H new ATOM 0 HB THR A 37 89.439 -24.321 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 37 91.235 -22.838 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.733 -25.182 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 37 90.762 -26.318 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.969 -25.279 -0.880 1.00 0.00 H new ATOM 635 N GLY A 38 87.341 -23.429 -1.072 1.00 0.00 N ATOM 636 CA GLY A 38 86.283 -22.431 -1.174 1.00 0.00 C ATOM 637 C GLY A 38 86.650 -21.171 -0.397 1.00 0.00 C ATOM 638 O GLY A 38 87.785 -21.016 0.051 1.00 0.00 O ATOM 0 H GLY A 38 87.165 -24.166 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 38 86.112 -22.181 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 85.350 -22.843 -0.788 1.00 0.00 H new ATOM 642 N GLY A 39 85.682 -20.274 -0.243 1.00 0.00 N ATOM 643 CA GLY A 39 85.922 -19.022 0.467 1.00 0.00 C ATOM 644 C GLY A 39 85.937 -19.246 1.975 1.00 0.00 C ATOM 645 O GLY A 39 85.830 -20.378 2.446 1.00 0.00 O ATOM 0 H GLY A 39 84.732 -20.388 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 86.873 -18.596 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 39 85.147 -18.299 0.210 1.00 0.00 H new ATOM 649 N GLY A 40 86.073 -18.158 2.728 1.00 0.00 N ATOM 650 CA GLY A 40 86.126 -18.249 4.182 1.00 0.00 C ATOM 651 C GLY A 40 85.719 -16.930 4.828 1.00 0.00 C ATOM 652 O GLY A 40 85.207 -16.032 4.159 1.00 0.00 O ATOM 0 H GLY A 40 86.148 -17.210 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 85.464 -19.045 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 40 87.135 -18.516 4.497 1.00 0.00 H new ATOM 656 N ARG A 41 85.951 -16.820 6.132 1.00 0.00 N ATOM 657 CA ARG A 41 85.592 -15.609 6.863 1.00 0.00 C ATOM 658 C ARG A 41 86.266 -14.388 6.246 1.00 0.00 C ATOM 659 O ARG A 41 87.384 -14.473 5.739 1.00 0.00 O ATOM 660 CB ARG A 41 86.017 -15.741 8.327 1.00 0.00 C ATOM 661 CG ARG A 41 85.260 -16.901 8.978 1.00 0.00 C ATOM 662 CD ARG A 41 85.612 -16.971 10.465 1.00 0.00 C ATOM 663 NE ARG A 41 85.062 -18.193 11.058 1.00 0.00 N ATOM 664 CZ ARG A 41 83.749 -18.397 11.250 1.00 0.00 C ATOM 665 NH1 ARG A 41 82.847 -17.506 10.916 1.00 0.00 N ATOM 666 NH2 ARG A 41 83.358 -19.521 11.786 1.00 0.00 N ATOM 0 H ARG A 41 86.383 -17.548 6.701 1.00 0.00 H new ATOM 0 HA ARG A 41 84.511 -15.480 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 41 87.091 -15.913 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 41 85.811 -14.813 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 41 84.186 -16.763 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 85.520 -17.839 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 41 86.694 -16.952 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.216 -16.097 10.982 1.00 0.00 H new ATOM 0 HE ARG A 41 85.711 -18.928 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 41 83.134 -16.623 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 41 81.858 -17.696 11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 41 84.046 -20.226 12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 41 82.365 -19.694 11.940 1.00 0.00 H new ATOM 680 N ALA A 42 85.576 -13.253 6.292 1.00 0.00 N ATOM 681 CA ALA A 42 86.112 -12.020 5.727 1.00 0.00 C ATOM 682 C ALA A 42 87.394 -11.612 6.446 1.00 0.00 C ATOM 683 O ALA A 42 87.542 -11.839 7.647 1.00 0.00 O ATOM 684 CB ALA A 42 85.078 -10.898 5.847 1.00 0.00 C ATOM 0 H ALA A 42 84.651 -13.161 6.712 1.00 0.00 H new ATOM 0 HA ALA A 42 86.339 -12.194 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 42 85.486 -9.980 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 42 84.174 -11.177 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 42 84.837 -10.736 6.898 1.00 0.00 H new ATOM 690 N ASP A 43 88.315 -11.007 5.705 1.00 0.00 N ATOM 691 CA ASP A 43 89.579 -10.567 6.281 1.00 0.00 C ATOM 692 C ASP A 43 89.340 -9.484 7.335 1.00 0.00 C ATOM 693 O ASP A 43 88.335 -8.774 7.263 1.00 0.00 O ATOM 694 CB ASP A 43 90.494 -10.021 5.183 1.00 0.00 C ATOM 695 CG ASP A 43 89.797 -8.882 4.445 1.00 0.00 C ATOM 696 OD1 ASP A 43 88.760 -9.133 3.854 1.00 0.00 O ATOM 697 OD2 ASP A 43 90.312 -7.777 4.481 1.00 0.00 O ATOM 0 H ASP A 43 88.211 -10.811 4.709 1.00 0.00 H new ATOM 0 HA ASP A 43 90.057 -11.423 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 43 91.428 -9.666 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 90.751 -10.816 4.483 1.00 0.00 H new ATOM 702 N PRO A 44 90.221 -9.332 8.304 1.00 0.00 N ATOM 703 CA PRO A 44 90.037 -8.297 9.367 1.00 0.00 C ATOM 704 C PRO A 44 90.213 -6.882 8.822 1.00 0.00 C ATOM 705 O PRO A 44 90.704 -6.692 7.709 1.00 0.00 O ATOM 706 CB PRO A 44 91.115 -8.621 10.404 1.00 0.00 C ATOM 707 CG PRO A 44 92.178 -9.345 9.653 1.00 0.00 C ATOM 708 CD PRO A 44 91.476 -10.087 8.517 1.00 0.00 C ATOM 0 HA PRO A 44 89.030 -8.322 9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 44 91.506 -7.712 10.862 1.00 0.00 H new ATOM 0 HB3 PRO A 44 90.714 -9.236 11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 44 92.920 -8.649 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 44 92.707 -10.042 10.303 1.00 0.00 H new ATOM 0 HD2 PRO A 44 92.088 -10.103 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 44 91.275 -11.124 8.784 1.00 0.00 H new ATOM 716 N ALA A 45 89.809 -5.894 9.613 1.00 0.00 N ATOM 717 CA ALA A 45 89.921 -4.501 9.196 1.00 0.00 C ATOM 718 C ALA A 45 91.382 -4.123 8.976 1.00 0.00 C ATOM 719 O ALA A 45 92.268 -4.586 9.695 1.00 0.00 O ATOM 720 CB ALA A 45 89.309 -3.587 10.259 1.00 0.00 C ATOM 0 H ALA A 45 89.404 -6.030 10.539 1.00 0.00 H new ATOM 0 HA ALA A 45 89.381 -4.378 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 89.397 -2.548 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 88.257 -3.838 10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 45 89.837 -3.722 11.203 1.00 0.00 H new ATOM 726 N HIS A 46 91.625 -3.278 7.978 1.00 0.00 N ATOM 727 CA HIS A 46 92.981 -2.834 7.664 1.00 0.00 C ATOM 728 C HIS A 46 93.051 -1.311 7.647 1.00 0.00 C ATOM 729 O HIS A 46 92.088 -0.640 7.276 1.00 0.00 O ATOM 730 CB HIS A 46 93.404 -3.380 6.300 1.00 0.00 C ATOM 731 CG HIS A 46 93.424 -4.883 6.236 1.00 0.00 C ATOM 732 ND1 HIS A 46 94.364 -5.639 6.917 1.00 0.00 N ATOM 733 CD2 HIS A 46 92.623 -5.784 5.576 1.00 0.00 C ATOM 734 CE1 HIS A 46 94.111 -6.934 6.655 1.00 0.00 C ATOM 735 NE2 HIS A 46 93.060 -7.079 5.843 1.00 0.00 N ATOM 0 H HIS A 46 90.902 -2.887 7.373 1.00 0.00 H new ATOM 0 HA HIS A 46 93.657 -3.211 8.432 1.00 0.00 H new ATOM 0 HB2 HIS A 46 92.723 -3.001 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 46 94.397 -3.001 6.057 1.00 0.00 H new ATOM 0 HD1 HIS A 46 95.112 -5.279 7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 46 91.784 -5.527 4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 46 94.687 -7.756 7.053 1.00 0.00 H new ATOM 743 N ARG A 47 94.198 -0.771 8.050 1.00 0.00 N ATOM 744 CA ARG A 47 94.380 0.674 8.076 1.00 0.00 C ATOM 745 C ARG A 47 94.418 1.234 6.657 1.00 0.00 C ATOM 746 O ARG A 47 94.893 0.576 5.732 1.00 0.00 O ATOM 747 CB ARG A 47 95.682 1.028 8.800 1.00 0.00 C ATOM 748 CG ARG A 47 95.762 2.543 8.992 1.00 0.00 C ATOM 749 CD ARG A 47 97.021 2.893 9.786 1.00 0.00 C ATOM 750 NE ARG A 47 98.217 2.640 8.980 1.00 0.00 N ATOM 751 CZ ARG A 47 98.674 3.489 8.046 1.00 0.00 C ATOM 752 NH1 ARG A 47 98.074 4.625 7.781 1.00 0.00 N ATOM 753 NH2 ARG A 47 99.751 3.175 7.380 1.00 0.00 N ATOM 0 H ARG A 47 95.008 -1.308 8.360 1.00 0.00 H new ATOM 0 HA ARG A 47 93.538 1.116 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 95.722 0.525 9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 47 96.538 0.678 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 95.780 3.042 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 94.877 2.900 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 47 96.991 3.941 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 47 97.059 2.301 10.701 1.00 0.00 H new ATOM 0 HE ARG A 47 98.730 1.773 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 47 97.231 4.888 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 47 98.450 5.245 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 47 100.232 2.296 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 47 100.112 3.808 6.667 1.00 0.00 H new ATOM 767 N SER A 48 93.913 2.453 6.496 1.00 0.00 N ATOM 768 CA SER A 48 93.877 3.089 5.183 1.00 0.00 C ATOM 769 C SER A 48 94.962 4.168 5.081 1.00 0.00 C ATOM 770 O SER A 48 94.759 5.274 5.585 1.00 0.00 O ATOM 771 CB SER A 48 92.510 3.744 4.978 1.00 0.00 C ATOM 772 OG SER A 48 92.303 4.720 5.990 1.00 0.00 O ATOM 0 H SER A 48 93.526 3.017 7.252 1.00 0.00 H new ATOM 0 HA SER A 48 94.053 2.330 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 48 92.460 4.208 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 48 91.723 2.991 5.016 1.00 0.00 H new ATOM 0 HG SER A 48 93.094 5.295 6.057 1.00 0.00 H new ATOM 778 N PRO A 49 96.094 3.898 4.460 1.00 0.00 N ATOM 779 CA PRO A 49 97.156 4.936 4.289 1.00 0.00 C ATOM 780 C PRO A 49 96.593 6.253 3.761 1.00 0.00 C ATOM 781 O PRO A 49 95.487 6.293 3.222 1.00 0.00 O ATOM 782 CB PRO A 49 98.127 4.321 3.282 1.00 0.00 C ATOM 783 CG PRO A 49 97.976 2.848 3.445 1.00 0.00 C ATOM 784 CD PRO A 49 96.534 2.605 3.892 1.00 0.00 C ATOM 0 HA PRO A 49 97.629 5.186 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 49 97.888 4.631 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 49 99.152 4.636 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 49 98.184 2.331 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 49 98.681 2.465 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 49 95.905 2.306 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 49 96.478 1.807 4.633 1.00 0.00 H new ATOM 792 N VAL A 50 97.359 7.328 3.920 1.00 0.00 N ATOM 793 CA VAL A 50 96.895 8.647 3.501 1.00 0.00 C ATOM 794 C VAL A 50 97.276 8.876 2.034 1.00 0.00 C ATOM 795 O VAL A 50 98.369 8.471 1.636 1.00 0.00 O ATOM 796 CB VAL A 50 97.545 9.719 4.386 1.00 0.00 C ATOM 797 CG1 VAL A 50 97.049 11.110 3.986 1.00 0.00 C ATOM 798 CG2 VAL A 50 97.185 9.464 5.852 1.00 0.00 C ATOM 0 H VAL A 50 98.293 7.314 4.331 1.00 0.00 H new ATOM 0 HA VAL A 50 95.812 8.708 3.603 1.00 0.00 H new ATOM 0 HB VAL A 50 98.626 9.671 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.518 11.860 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.308 11.303 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 50 95.967 11.159 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.648 10.227 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.102 9.503 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 50 97.548 8.480 6.150 1.00 0.00 H new ATOM 808 N PRO A 51 96.449 9.518 1.233 1.00 0.00 N ATOM 809 CA PRO A 51 96.810 9.786 -0.194 1.00 0.00 C ATOM 810 C PRO A 51 98.173 10.463 -0.302 1.00 0.00 C ATOM 811 O PRO A 51 98.622 11.119 0.638 1.00 0.00 O ATOM 812 CB PRO A 51 95.701 10.710 -0.702 1.00 0.00 C ATOM 813 CG PRO A 51 94.531 10.443 0.182 1.00 0.00 C ATOM 814 CD PRO A 51 95.100 10.035 1.540 1.00 0.00 C ATOM 0 HA PRO A 51 96.887 8.868 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 51 96.004 11.755 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 51 95.462 10.501 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 51 93.904 11.330 0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 51 93.905 9.652 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 51 95.146 10.883 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 51 94.482 9.274 2.017 1.00 0.00 H new ATOM 822 N LEU A 52 98.826 10.302 -1.448 1.00 0.00 N ATOM 823 CA LEU A 52 100.164 10.853 -1.630 1.00 0.00 C ATOM 824 C LEU A 52 100.123 12.381 -1.558 1.00 0.00 C ATOM 825 O LEU A 52 99.103 12.976 -1.913 1.00 0.00 O ATOM 826 CB LEU A 52 100.726 10.432 -2.990 1.00 0.00 C ATOM 827 CG LEU A 52 101.175 8.972 -2.943 1.00 0.00 C ATOM 828 CD1 LEU A 52 101.466 8.487 -4.365 1.00 0.00 C ATOM 829 CD2 LEU A 52 102.447 8.854 -2.098 1.00 0.00 C ATOM 0 H LEU A 52 98.456 9.801 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 52 100.804 10.470 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 52 99.968 10.563 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 101.567 11.071 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 52 100.387 8.363 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 52 101.787 7.446 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 52 100.563 8.572 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 52 102.255 9.098 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 52 102.767 7.812 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 52 103.236 9.462 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 102.245 9.204 -1.086 1.00 0.00 H new ATOM 841 N PRO A 53 101.181 13.033 -1.116 1.00 0.00 N ATOM 842 CA PRO A 53 101.218 14.527 -1.103 1.00 0.00 C ATOM 843 C PRO A 53 101.052 15.094 -2.509 1.00 0.00 C ATOM 844 O PRO A 53 101.542 14.514 -3.482 1.00 0.00 O ATOM 845 CB PRO A 53 102.593 14.882 -0.523 1.00 0.00 C ATOM 846 CG PRO A 53 103.069 13.650 0.165 1.00 0.00 C ATOM 847 CD PRO A 53 102.437 12.476 -0.577 1.00 0.00 C ATOM 0 HA PRO A 53 100.404 14.950 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 53 103.284 15.183 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.520 15.717 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 53 104.157 13.586 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.774 13.652 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 53 103.086 12.110 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 53 102.247 11.636 0.091 1.00 0.00 H new ATOM 855 N SER A 54 100.398 16.250 -2.607 1.00 0.00 N ATOM 856 CA SER A 54 100.121 16.853 -3.908 1.00 0.00 C ATOM 857 C SER A 54 101.424 17.044 -4.688 1.00 0.00 C ATOM 858 O SER A 54 102.429 17.448 -4.099 1.00 0.00 O ATOM 859 CB SER A 54 99.433 18.206 -3.721 1.00 0.00 C ATOM 860 OG SER A 54 100.160 18.973 -2.771 1.00 0.00 O ATOM 0 H SER A 54 100.053 16.783 -1.809 1.00 0.00 H new ATOM 0 HA SER A 54 99.463 16.189 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 54 99.382 18.736 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 54 98.407 18.062 -3.381 1.00 0.00 H new ATOM 0 HG SER A 54 99.724 19.842 -2.649 1.00 0.00 H new ATOM 866 N PRO A 55 101.445 16.777 -5.975 1.00 0.00 N ATOM 867 CA PRO A 55 102.727 16.728 -6.732 1.00 0.00 C ATOM 868 C PRO A 55 103.250 18.105 -7.116 1.00 0.00 C ATOM 869 O PRO A 55 102.589 18.860 -7.830 1.00 0.00 O ATOM 870 CB PRO A 55 102.372 15.915 -7.976 1.00 0.00 C ATOM 871 CG PRO A 55 100.929 16.195 -8.228 1.00 0.00 C ATOM 872 CD PRO A 55 100.299 16.551 -6.880 1.00 0.00 C ATOM 0 HA PRO A 55 103.529 16.294 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 55 102.985 16.210 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 55 102.544 14.851 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 55 100.814 17.016 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 55 100.438 15.325 -8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 55 99.675 17.441 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 55 99.661 15.745 -6.517 1.00 0.00 H new ATOM 880 N THR A 56 104.447 18.423 -6.634 1.00 0.00 N ATOM 881 CA THR A 56 105.175 19.580 -7.137 1.00 0.00 C ATOM 882 C THR A 56 105.977 19.133 -8.352 1.00 0.00 C ATOM 883 O THR A 56 106.274 17.944 -8.484 1.00 0.00 O ATOM 884 CB THR A 56 106.116 20.135 -6.064 1.00 0.00 C ATOM 885 OG1 THR A 56 107.111 19.168 -5.762 1.00 0.00 O ATOM 886 CG2 THR A 56 105.324 20.472 -4.798 1.00 0.00 C ATOM 0 H THR A 56 104.929 17.901 -5.902 1.00 0.00 H new ATOM 0 HA THR A 56 104.476 20.371 -7.408 1.00 0.00 H new ATOM 0 HB THR A 56 106.591 21.042 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A 56 107.715 19.523 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 56 106.001 20.866 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 56 104.566 21.219 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 56 104.841 19.571 -4.420 1.00 0.00 H new ATOM 894 N SER A 57 106.361 20.067 -9.220 1.00 0.00 N ATOM 895 CA SER A 57 106.999 19.680 -10.476 1.00 0.00 C ATOM 896 C SER A 57 108.250 18.842 -10.215 1.00 0.00 C ATOM 897 O SER A 57 109.150 19.253 -9.483 1.00 0.00 O ATOM 898 CB SER A 57 107.377 20.929 -11.274 1.00 0.00 C ATOM 899 OG SER A 57 108.532 21.522 -10.696 1.00 0.00 O ATOM 0 H SER A 57 106.246 21.071 -9.083 1.00 0.00 H new ATOM 0 HA SER A 57 106.291 19.080 -11.048 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.571 20.666 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 57 106.550 21.639 -11.274 1.00 0.00 H new ATOM 0 HG SER A 57 108.844 20.970 -9.949 1.00 0.00 H new ATOM 905 N ASN A 58 108.288 17.662 -10.828 1.00 0.00 N ATOM 906 CA ASN A 58 109.469 16.803 -10.787 1.00 0.00 C ATOM 907 C ASN A 58 109.813 16.318 -9.375 1.00 0.00 C ATOM 908 O ASN A 58 110.921 15.826 -9.163 1.00 0.00 O ATOM 909 CB ASN A 58 110.674 17.549 -11.367 1.00 0.00 C ATOM 910 CG ASN A 58 110.362 18.033 -12.779 1.00 0.00 C ATOM 911 OD1 ASN A 58 110.638 19.183 -13.118 1.00 0.00 O ATOM 912 ND2 ASN A 58 109.801 17.217 -13.630 1.00 0.00 N ATOM 0 H ASN A 58 107.509 17.277 -11.362 1.00 0.00 H new ATOM 0 HA ASN A 58 109.233 15.922 -11.385 1.00 0.00 H new ATOM 0 HB2 ASN A 58 110.927 18.397 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 58 111.544 16.893 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 58 109.591 17.533 -14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 58 109.573 16.264 -13.348 1.00 0.00 H new ATOM 919 N LYS A 59 108.892 16.442 -8.414 1.00 0.00 N ATOM 920 CA LYS A 59 109.207 16.080 -7.031 1.00 0.00 C ATOM 921 C LYS A 59 107.977 15.586 -6.266 1.00 0.00 C ATOM 922 O LYS A 59 106.856 16.026 -6.521 1.00 0.00 O ATOM 923 CB LYS A 59 109.779 17.295 -6.293 1.00 0.00 C ATOM 924 CG LYS A 59 111.090 17.744 -6.945 1.00 0.00 C ATOM 925 CD LYS A 59 111.700 18.880 -6.123 1.00 0.00 C ATOM 926 CE LYS A 59 112.936 19.426 -6.839 1.00 0.00 C ATOM 927 NZ LYS A 59 114.039 18.428 -6.759 1.00 0.00 N ATOM 0 H LYS A 59 107.942 16.783 -8.564 1.00 0.00 H new ATOM 0 HA LYS A 59 109.936 15.270 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.058 18.112 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.952 17.045 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.786 16.907 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.906 18.077 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.968 19.675 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.972 18.519 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.700 19.640 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.248 20.366 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.618 18.481 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 114.632 18.632 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.637 17.473 -6.670 1.00 0.00 H new ATOM 941 N GLN A 60 108.202 14.670 -5.325 1.00 0.00 N ATOM 942 CA GLN A 60 107.166 14.277 -4.368 1.00 0.00 C ATOM 943 C GLN A 60 107.786 13.822 -3.051 1.00 0.00 C ATOM 944 O GLN A 60 108.912 13.327 -3.021 1.00 0.00 O ATOM 945 CB GLN A 60 106.288 13.141 -4.897 1.00 0.00 C ATOM 946 CG GLN A 60 105.385 13.649 -6.019 1.00 0.00 C ATOM 947 CD GLN A 60 104.348 12.585 -6.369 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.635 11.671 -7.141 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.156 12.631 -5.830 1.00 0.00 N ATOM 0 H GLN A 60 109.092 14.186 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 60 106.548 15.161 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.915 12.329 -5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.681 12.734 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.887 14.568 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.982 13.891 -6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.915 13.387 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.468 11.911 -6.050 1.00 0.00 H new ATOM 958 N ASP A 61 107.037 13.979 -1.965 1.00 0.00 N ATOM 959 CA ASP A 61 107.461 13.449 -0.674 1.00 0.00 C ATOM 960 C ASP A 61 106.815 12.086 -0.445 1.00 0.00 C ATOM 961 O ASP A 61 105.599 11.941 -0.577 1.00 0.00 O ATOM 962 CB ASP A 61 107.057 14.408 0.449 1.00 0.00 C ATOM 963 CG ASP A 61 107.760 15.754 0.284 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.865 15.772 -0.234 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.180 16.751 0.681 1.00 0.00 O ATOM 0 H ASP A 61 106.140 14.465 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 61 108.546 13.342 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.977 14.552 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.313 13.974 1.415 1.00 0.00 H new ATOM 970 N ILE A 62 107.624 11.084 -0.106 1.00 0.00 N ATOM 971 CA ILE A 62 107.111 9.726 0.082 1.00 0.00 C ATOM 972 C ILE A 62 107.555 9.172 1.439 1.00 0.00 C ATOM 973 O ILE A 62 108.663 9.459 1.890 1.00 0.00 O ATOM 974 CB ILE A 62 107.593 8.848 -1.084 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.856 7.508 -1.060 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.107 8.611 -1.020 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.466 7.678 -1.684 1.00 0.00 C ATOM 0 H ILE A 62 108.628 11.184 0.043 1.00 0.00 H new ATOM 0 HA ILE A 62 106.021 9.732 0.083 1.00 0.00 H new ATOM 0 HB ILE A 62 107.374 9.372 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.424 6.758 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.765 7.149 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.413 7.987 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.627 9.567 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.358 8.110 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.940 6.723 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.899 8.414 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.569 8.017 -2.715 1.00 0.00 H new ATOM 989 N SER A 63 106.704 8.372 2.084 1.00 0.00 N ATOM 990 CA SER A 63 107.006 7.907 3.437 1.00 0.00 C ATOM 991 C SER A 63 106.400 6.536 3.732 1.00 0.00 C ATOM 992 O SER A 63 105.465 6.084 3.067 1.00 0.00 O ATOM 993 CB SER A 63 106.491 8.918 4.461 1.00 0.00 C ATOM 994 OG SER A 63 105.072 8.859 4.505 1.00 0.00 O ATOM 0 H SER A 63 105.819 8.039 1.701 1.00 0.00 H new ATOM 0 HA SER A 63 108.090 7.812 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.906 8.700 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.817 9.923 4.193 1.00 0.00 H new ATOM 0 HG SER A 63 104.710 9.013 3.607 1.00 0.00 H new ATOM 1000 N GLU A 64 106.934 5.892 4.766 1.00 0.00 N ATOM 1001 CA GLU A 64 106.463 4.574 5.171 1.00 0.00 C ATOM 1002 C GLU A 64 104.961 4.576 5.449 1.00 0.00 C ATOM 1003 O GLU A 64 104.277 3.597 5.161 1.00 0.00 O ATOM 1004 CB GLU A 64 107.219 4.122 6.426 1.00 0.00 C ATOM 1005 CG GLU A 64 106.979 5.114 7.571 1.00 0.00 C ATOM 1006 CD GLU A 64 107.800 4.761 8.815 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.439 3.718 8.836 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.774 5.549 9.746 1.00 0.00 O ATOM 0 H GLU A 64 107.693 6.263 5.338 1.00 0.00 H new ATOM 0 HA GLU A 64 106.652 3.881 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.887 3.127 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.286 4.052 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.237 6.120 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.919 5.124 7.826 1.00 0.00 H new ATOM 1015 N ALA A 65 104.445 5.682 5.978 1.00 0.00 N ATOM 1016 CA ALA A 65 103.033 5.748 6.345 1.00 0.00 C ATOM 1017 C ALA A 65 102.139 5.484 5.138 1.00 0.00 C ATOM 1018 O ALA A 65 101.164 4.738 5.232 1.00 0.00 O ATOM 1019 CB ALA A 65 102.707 7.127 6.923 1.00 0.00 C ATOM 0 H ALA A 65 104.975 6.534 6.160 1.00 0.00 H new ATOM 0 HA ALA A 65 102.844 4.979 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.652 7.168 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.316 7.303 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.920 7.893 6.178 1.00 0.00 H new ATOM 1025 N ASN A 66 102.473 6.097 4.008 1.00 0.00 N ATOM 1026 CA ASN A 66 101.633 5.984 2.818 1.00 0.00 C ATOM 1027 C ASN A 66 101.696 4.573 2.237 1.00 0.00 C ATOM 1028 O ASN A 66 100.669 3.981 1.904 1.00 0.00 O ATOM 1029 CB ASN A 66 102.076 6.978 1.739 1.00 0.00 C ATOM 1030 CG ASN A 66 102.243 8.385 2.311 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.344 8.770 2.700 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.213 9.181 2.373 1.00 0.00 N ATOM 0 H ASN A 66 103.308 6.671 3.889 1.00 0.00 H new ATOM 0 HA ASN A 66 100.611 6.208 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.018 6.647 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.341 6.996 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.320 10.125 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.300 8.860 2.050 1.00 0.00 H new ATOM 1039 N LEU A 67 102.909 4.044 2.110 1.00 0.00 N ATOM 1040 CA LEU A 67 103.100 2.732 1.492 1.00 0.00 C ATOM 1041 C LEU A 67 102.640 1.579 2.385 1.00 0.00 C ATOM 1042 O LEU A 67 102.301 0.509 1.880 1.00 0.00 O ATOM 1043 CB LEU A 67 104.570 2.541 1.110 1.00 0.00 C ATOM 1044 CG LEU A 67 104.859 3.297 -0.191 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.955 4.795 0.102 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.173 2.803 -0.810 1.00 0.00 C ATOM 0 H LEU A 67 103.768 4.497 2.423 1.00 0.00 H new ATOM 0 HA LEU A 67 102.476 2.711 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.215 2.908 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.790 1.481 0.984 1.00 0.00 H new ATOM 0 HG LEU A 67 104.049 3.115 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.161 5.334 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.013 5.144 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.760 4.976 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.367 3.348 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.991 2.972 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.095 1.738 -1.027 1.00 0.00 H new ATOM 1058 N ALA A 68 102.636 1.783 3.703 1.00 0.00 N ATOM 1059 CA ALA A 68 102.281 0.724 4.650 1.00 0.00 C ATOM 1060 C ALA A 68 103.395 -0.335 4.656 1.00 0.00 C ATOM 1061 O ALA A 68 104.552 0.016 4.437 1.00 0.00 O ATOM 1062 CB ALA A 68 100.897 0.140 4.303 1.00 0.00 C ATOM 0 H ALA A 68 102.875 2.673 4.140 1.00 0.00 H new ATOM 0 HA ALA A 68 102.200 1.125 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.645 -0.646 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.146 0.929 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.920 -0.276 3.296 1.00 0.00 H new ATOM 1068 N TYR A 69 103.080 -1.616 4.874 1.00 0.00 N ATOM 1069 CA TYR A 69 104.116 -2.651 4.941 1.00 0.00 C ATOM 1070 C TYR A 69 104.989 -2.684 3.678 1.00 0.00 C ATOM 1071 O TYR A 69 106.110 -3.192 3.712 1.00 0.00 O ATOM 1072 CB TYR A 69 103.465 -4.020 5.138 1.00 0.00 C ATOM 1073 CG TYR A 69 102.705 -4.142 6.439 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.392 -4.425 7.626 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.317 -3.971 6.458 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.689 -4.538 8.831 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.613 -4.084 7.664 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.300 -4.367 8.850 1.00 0.00 C ATOM 1079 OH TYR A 69 100.607 -4.479 10.038 1.00 0.00 O ATOM 0 H TYR A 69 102.128 -1.958 5.006 1.00 0.00 H new ATOM 0 HA TYR A 69 104.761 -2.410 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.784 -4.213 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.236 -4.789 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.464 -4.556 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.788 -3.752 5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.219 -4.757 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.541 -3.953 7.678 1.00 0.00 H new ATOM 0 HH TYR A 69 99.652 -4.331 9.875 1.00 0.00 H new ATOM 1089 N LEU A 70 104.481 -2.145 2.572 1.00 0.00 N ATOM 1090 CA LEU A 70 105.219 -2.135 1.308 1.00 0.00 C ATOM 1091 C LEU A 70 106.553 -1.386 1.418 1.00 0.00 C ATOM 1092 O LEU A 70 107.467 -1.631 0.631 1.00 0.00 O ATOM 1093 CB LEU A 70 104.365 -1.487 0.215 1.00 0.00 C ATOM 1094 CG LEU A 70 103.037 -2.239 0.069 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.156 -1.517 -0.951 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.301 -3.666 -0.416 1.00 0.00 C ATOM 0 H LEU A 70 103.560 -1.709 2.524 1.00 0.00 H new ATOM 0 HA LEU A 70 105.439 -3.172 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.175 -0.443 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.904 -1.497 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 70 102.534 -2.272 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.211 -2.050 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.963 -0.500 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.665 -1.486 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.354 -4.197 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.806 -3.635 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.932 -4.185 0.306 1.00 0.00 H new ATOM 1108 N TRP A 71 106.669 -0.476 2.385 1.00 0.00 N ATOM 1109 CA TRP A 71 107.872 0.339 2.528 1.00 0.00 C ATOM 1110 C TRP A 71 109.112 -0.559 2.657 1.00 0.00 C ATOM 1111 O TRP A 71 109.242 -1.260 3.663 1.00 0.00 O ATOM 1112 CB TRP A 71 107.743 1.194 3.787 1.00 0.00 C ATOM 1113 CG TRP A 71 108.731 2.315 3.856 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.708 2.427 4.782 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.856 3.478 2.986 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.413 3.591 4.547 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.933 4.271 3.447 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.145 3.920 1.858 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.294 5.461 2.808 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.504 5.112 1.212 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.576 5.881 1.686 1.00 0.00 C ATOM 0 H TRP A 71 105.946 -0.286 3.079 1.00 0.00 H new ATOM 0 HA TRP A 71 107.982 0.972 1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.735 1.606 3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.868 0.557 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.905 1.722 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.195 3.910 5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.315 3.337 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.120 6.050 3.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.951 5.439 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.847 6.798 1.184 1.00 0.00 H new ATOM 1132 N PRO A 72 110.022 -0.571 1.701 1.00 0.00 N ATOM 1133 CA PRO A 72 111.168 -1.528 1.719 1.00 0.00 C ATOM 1134 C PRO A 72 112.409 -1.010 2.446 1.00 0.00 C ATOM 1135 O PRO A 72 113.338 -1.776 2.704 1.00 0.00 O ATOM 1136 CB PRO A 72 111.457 -1.720 0.233 1.00 0.00 C ATOM 1137 CG PRO A 72 111.159 -0.396 -0.386 1.00 0.00 C ATOM 1138 CD PRO A 72 110.124 0.292 0.507 1.00 0.00 C ATOM 0 HA PRO A 72 110.919 -2.439 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.494 -2.011 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.833 -2.506 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.064 0.207 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.773 -0.521 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.440 1.301 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.163 0.382 0.001 1.00 0.00 H new ATOM 1146 N LEU A 73 112.451 0.287 2.737 1.00 0.00 N ATOM 1147 CA LEU A 73 113.643 0.890 3.332 1.00 0.00 C ATOM 1148 C LEU A 73 113.555 0.943 4.853 1.00 0.00 C ATOM 1149 O LEU A 73 112.475 1.098 5.424 1.00 0.00 O ATOM 1150 CB LEU A 73 113.827 2.312 2.806 1.00 0.00 C ATOM 1151 CG LEU A 73 113.924 2.302 1.281 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.928 3.747 0.784 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.222 1.607 0.856 1.00 0.00 C ATOM 0 H LEU A 73 111.682 0.937 2.573 1.00 0.00 H new ATOM 0 HA LEU A 73 114.492 0.265 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.990 2.935 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.729 2.751 3.232 1.00 0.00 H new ATOM 0 HG LEU A 73 113.077 1.765 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.997 3.757 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 73 113.007 4.241 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.783 4.275 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.291 1.600 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 116.075 2.144 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.224 0.582 1.227 1.00 0.00 H new ATOM 1165 N THR A 74 114.711 0.813 5.496 1.00 0.00 N ATOM 1166 CA THR A 74 114.806 0.969 6.943 1.00 0.00 C ATOM 1167 C THR A 74 114.586 2.425 7.345 1.00 0.00 C ATOM 1168 O THR A 74 113.983 2.696 8.383 1.00 0.00 O ATOM 1169 CB THR A 74 116.181 0.506 7.431 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.188 1.321 6.849 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.407 -0.954 7.031 1.00 0.00 C ATOM 0 H THR A 74 115.596 0.600 5.037 1.00 0.00 H new ATOM 0 HA THR A 74 114.031 0.357 7.404 1.00 0.00 H new ATOM 0 HB THR A 74 116.227 0.591 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.309 1.071 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.387 -1.279 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.635 -1.578 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.360 -1.045 5.946 1.00 0.00 H new ATOM 1179 N VAL A 75 115.072 3.364 6.527 1.00 0.00 N ATOM 1180 CA VAL A 75 114.814 4.777 6.786 1.00 0.00 C ATOM 1181 C VAL A 75 113.316 5.017 6.677 1.00 0.00 C ATOM 1182 O VAL A 75 112.694 4.627 5.693 1.00 0.00 O ATOM 1183 CB VAL A 75 115.574 5.686 5.811 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.072 5.614 6.117 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.341 5.251 4.359 1.00 0.00 C ATOM 0 H VAL A 75 115.634 3.174 5.698 1.00 0.00 H new ATOM 0 HA VAL A 75 115.168 5.024 7.787 1.00 0.00 H new ATOM 0 HB VAL A 75 115.208 6.705 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.616 6.259 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.251 5.946 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.418 4.587 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.891 5.912 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.690 4.227 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.277 5.305 4.129 1.00 0.00 H new ATOM 1195 N ASP A 76 112.733 5.636 7.694 1.00 0.00 N ATOM 1196 CA ASP A 76 111.278 5.698 7.796 1.00 0.00 C ATOM 1197 C ASP A 76 110.655 6.441 6.622 1.00 0.00 C ATOM 1198 O ASP A 76 109.544 6.109 6.206 1.00 0.00 O ATOM 1199 CB ASP A 76 110.868 6.365 9.111 1.00 0.00 C ATOM 1200 CG ASP A 76 111.311 5.519 10.303 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.372 4.307 10.165 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.585 6.098 11.342 1.00 0.00 O ATOM 0 H ASP A 76 113.235 6.098 8.452 1.00 0.00 H new ATOM 0 HA ASP A 76 110.906 4.673 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.314 7.357 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.787 6.500 9.135 1.00 0.00 H new ATOM 1207 N HIS A 77 111.345 7.453 6.107 1.00 0.00 N ATOM 1208 CA HIS A 77 110.814 8.207 4.979 1.00 0.00 C ATOM 1209 C HIS A 77 111.944 8.721 4.101 1.00 0.00 C ATOM 1210 O HIS A 77 113.118 8.512 4.400 1.00 0.00 O ATOM 1211 CB HIS A 77 109.955 9.372 5.476 1.00 0.00 C ATOM 1212 CG HIS A 77 110.655 10.272 6.456 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.146 9.808 7.666 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.937 11.616 6.427 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.692 10.854 8.311 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.593 11.981 7.601 1.00 0.00 N ATOM 0 H HIS A 77 112.255 7.765 6.445 1.00 0.00 H new ATOM 0 HA HIS A 77 110.189 7.542 4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.634 9.965 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.055 8.973 5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.688 12.287 5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.154 10.791 9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.926 12.909 7.862 1.00 0.00 H new ATOM 1224 N GLY A 78 111.571 9.334 2.985 1.00 0.00 N ATOM 1225 CA GLY A 78 112.540 9.946 2.090 1.00 0.00 C ATOM 1226 C GLY A 78 111.819 10.742 1.009 1.00 0.00 C ATOM 1227 O GLY A 78 110.622 10.569 0.781 1.00 0.00 O ATOM 0 H GLY A 78 110.602 9.420 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.205 10.601 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.162 9.177 1.633 1.00 0.00 H new ATOM 1231 N THR A 79 112.548 11.637 0.358 1.00 0.00 N ATOM 1232 CA THR A 79 111.972 12.449 -0.708 1.00 0.00 C ATOM 1233 C THR A 79 112.517 12.001 -2.060 1.00 0.00 C ATOM 1234 O THR A 79 113.695 11.685 -2.183 1.00 0.00 O ATOM 1235 CB THR A 79 112.307 13.924 -0.478 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.153 14.229 0.901 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.340 14.779 -1.298 1.00 0.00 C ATOM 0 H THR A 79 113.534 11.820 0.546 1.00 0.00 H new ATOM 0 HA THR A 79 110.889 12.322 -0.702 1.00 0.00 H new ATOM 0 HB THR A 79 113.334 14.128 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.368 15.173 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.567 15.834 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.446 14.536 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.317 14.578 -0.980 1.00 0.00 H new ATOM 1245 N ILE A 80 111.658 11.974 -3.073 1.00 0.00 N ATOM 1246 CA ILE A 80 112.069 11.542 -4.407 1.00 0.00 C ATOM 1247 C ILE A 80 112.124 12.737 -5.350 1.00 0.00 C ATOM 1248 O ILE A 80 111.241 13.594 -5.330 1.00 0.00 O ATOM 1249 CB ILE A 80 111.093 10.490 -4.944 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.665 11.047 -4.948 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.160 9.250 -4.051 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.714 10.038 -5.594 1.00 0.00 C ATOM 0 H ILE A 80 110.677 12.244 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 80 113.063 11.099 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 80 111.368 10.228 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.345 11.259 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.635 11.990 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.469 8.495 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.174 8.850 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.885 9.521 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.701 10.441 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.028 9.847 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.734 9.106 -5.029 1.00 0.00 H new ATOM 1264 N GLU A 81 113.177 12.799 -6.162 1.00 0.00 N ATOM 1265 CA GLU A 81 113.357 13.934 -7.059 1.00 0.00 C ATOM 1266 C GLU A 81 113.949 13.513 -8.398 1.00 0.00 C ATOM 1267 O GLU A 81 114.785 12.611 -8.475 1.00 0.00 O ATOM 1268 CB GLU A 81 114.275 14.967 -6.402 1.00 0.00 C ATOM 1269 CG GLU A 81 113.628 15.481 -5.111 1.00 0.00 C ATOM 1270 CD GLU A 81 114.467 16.583 -4.454 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.596 16.801 -4.868 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.957 17.202 -3.534 1.00 0.00 O ATOM 0 H GLU A 81 113.907 12.088 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 81 112.374 14.366 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.244 14.520 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.455 15.796 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.632 15.865 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.503 14.654 -4.412 1.00 0.00 H new ATOM 1279 N CYS A 82 113.487 14.177 -9.453 1.00 0.00 N ATOM 1280 CA CYS A 82 114.055 14.002 -10.785 1.00 0.00 C ATOM 1281 C CYS A 82 114.808 15.264 -11.194 1.00 0.00 C ATOM 1282 O CYS A 82 114.237 16.354 -11.226 1.00 0.00 O ATOM 1283 CB CYS A 82 112.941 13.719 -11.795 1.00 0.00 C ATOM 1284 SG CYS A 82 112.494 11.966 -11.722 1.00 0.00 S ATOM 0 H CYS A 82 112.717 14.844 -9.410 1.00 0.00 H new ATOM 0 HA CYS A 82 114.745 13.159 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.070 14.337 -11.575 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.272 13.980 -12.800 1.00 0.00 H new ATOM 1289 N LEU A 83 116.090 15.114 -11.507 1.00 0.00 N ATOM 1290 CA LEU A 83 116.916 16.261 -11.871 1.00 0.00 C ATOM 1291 C LEU A 83 116.737 16.620 -13.348 1.00 0.00 C ATOM 1292 O LEU A 83 116.333 15.768 -14.138 1.00 0.00 O ATOM 1293 CB LEU A 83 118.389 15.951 -11.596 1.00 0.00 C ATOM 1294 CG LEU A 83 118.642 15.964 -10.088 1.00 0.00 C ATOM 1295 CD1 LEU A 83 119.941 15.218 -9.779 1.00 0.00 C ATOM 1296 CD2 LEU A 83 118.760 17.412 -9.605 1.00 0.00 C ATOM 0 H LEU A 83 116.577 14.218 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 83 116.600 17.111 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 118.650 14.977 -12.010 1.00 0.00 H new ATOM 0 HB3 LEU A 83 119.024 16.687 -12.088 1.00 0.00 H new ATOM 0 HG LEU A 83 117.813 15.474 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 83 120.120 15.228 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 83 119.859 14.187 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 83 120.771 15.706 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 83 118.940 17.423 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 83 119.589 17.900 -10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 83 117.835 17.945 -9.823 1.00 0.00 H new ATOM 1308 N PRO A 84 117.030 17.840 -13.750 1.00 0.00 N ATOM 1309 CA PRO A 84 116.913 18.238 -15.192 1.00 0.00 C ATOM 1310 C PRO A 84 117.659 17.291 -16.137 1.00 0.00 C ATOM 1311 O PRO A 84 117.344 17.218 -17.325 1.00 0.00 O ATOM 1312 CB PRO A 84 117.523 19.641 -15.249 1.00 0.00 C ATOM 1313 CG PRO A 84 117.406 20.181 -13.866 1.00 0.00 C ATOM 1314 CD PRO A 84 117.486 18.981 -12.926 1.00 0.00 C ATOM 0 HA PRO A 84 115.875 18.202 -15.523 1.00 0.00 H new ATOM 0 HB2 PRO A 84 118.564 19.604 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 84 116.992 20.271 -15.963 1.00 0.00 H new ATOM 0 HG2 PRO A 84 118.206 20.891 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 84 116.464 20.714 -13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 84 118.502 18.828 -12.562 1.00 0.00 H new ATOM 0 HD3 PRO A 84 116.851 19.118 -12.051 1.00 0.00 H new ATOM 1322 N SER A 85 118.642 16.568 -15.608 1.00 0.00 N ATOM 1323 CA SER A 85 119.441 15.641 -16.413 1.00 0.00 C ATOM 1324 C SER A 85 118.734 14.302 -16.678 1.00 0.00 C ATOM 1325 O SER A 85 119.337 13.402 -17.265 1.00 0.00 O ATOM 1326 CB SER A 85 120.771 15.373 -15.711 1.00 0.00 C ATOM 1327 OG SER A 85 120.548 14.518 -14.599 1.00 0.00 O ATOM 0 H SER A 85 118.907 16.604 -14.624 1.00 0.00 H new ATOM 0 HA SER A 85 119.597 16.119 -17.380 1.00 0.00 H new ATOM 0 HB2 SER A 85 121.475 14.912 -16.404 1.00 0.00 H new ATOM 0 HB3 SER A 85 121.217 16.311 -15.380 1.00 0.00 H new ATOM 0 HG SER A 85 121.101 14.811 -13.845 1.00 0.00 H new ATOM 1333 N ASP A 86 117.490 14.155 -16.219 1.00 0.00 N ATOM 1334 CA ASP A 86 116.749 12.901 -16.327 1.00 0.00 C ATOM 1335 C ASP A 86 117.429 11.798 -15.520 1.00 0.00 C ATOM 1336 O ASP A 86 117.487 10.643 -15.940 1.00 0.00 O ATOM 1337 CB ASP A 86 116.599 12.475 -17.793 1.00 0.00 C ATOM 1338 CG ASP A 86 115.869 13.554 -18.588 1.00 0.00 C ATOM 1339 OD1 ASP A 86 115.026 14.225 -18.015 1.00 0.00 O ATOM 1340 OD2 ASP A 86 116.165 13.693 -19.765 1.00 0.00 O ATOM 0 H ASP A 86 116.969 14.904 -15.762 1.00 0.00 H new ATOM 0 HA ASP A 86 115.753 13.066 -15.916 1.00 0.00 H new ATOM 0 HB2 ASP A 86 117.582 12.296 -18.229 1.00 0.00 H new ATOM 0 HB3 ASP A 86 116.048 11.536 -17.851 1.00 0.00 H new ATOM 1345 N ASN A 87 117.924 12.162 -14.339 1.00 0.00 N ATOM 1346 CA ASN A 87 118.488 11.191 -13.409 1.00 0.00 C ATOM 1347 C ASN A 87 117.568 11.061 -12.203 1.00 0.00 C ATOM 1348 O ASN A 87 117.185 12.063 -11.599 1.00 0.00 O ATOM 1349 CB ASN A 87 119.878 11.643 -12.952 1.00 0.00 C ATOM 1350 CG ASN A 87 120.852 11.652 -14.128 1.00 0.00 C ATOM 1351 OD1 ASN A 87 120.613 11.002 -15.147 1.00 0.00 O ATOM 1352 ND2 ASN A 87 121.949 12.354 -14.044 1.00 0.00 N ATOM 0 H ASN A 87 117.945 13.125 -14.004 1.00 0.00 H new ATOM 0 HA ASN A 87 118.580 10.226 -13.908 1.00 0.00 H new ATOM 0 HB2 ASN A 87 119.817 12.640 -12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 87 120.246 10.975 -12.173 1.00 0.00 H new ATOM 0 HD21 ASN A 87 122.609 12.365 -14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 87 122.147 12.892 -13.200 1.00 0.00 H new ATOM 1359 N ALA A 88 117.196 9.828 -11.875 1.00 0.00 N ATOM 1360 CA ALA A 88 116.289 9.589 -10.760 1.00 0.00 C ATOM 1361 C ALA A 88 117.073 9.260 -9.495 1.00 0.00 C ATOM 1362 O ALA A 88 117.843 8.298 -9.467 1.00 0.00 O ATOM 1363 CB ALA A 88 115.350 8.430 -11.102 1.00 0.00 C ATOM 0 H ALA A 88 117.506 8.986 -12.361 1.00 0.00 H new ATOM 0 HA ALA A 88 115.705 10.492 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.672 8.252 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.772 8.680 -11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.936 7.531 -11.291 1.00 0.00 H new ATOM 1369 N VAL A 89 116.861 10.047 -8.441 1.00 0.00 N ATOM 1370 CA VAL A 89 117.551 9.810 -7.173 1.00 0.00 C ATOM 1371 C VAL A 89 116.587 9.875 -5.991 1.00 0.00 C ATOM 1372 O VAL A 89 115.548 10.536 -6.043 1.00 0.00 O ATOM 1373 CB VAL A 89 118.659 10.845 -6.971 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.708 10.702 -8.075 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.062 12.254 -7.014 1.00 0.00 C ATOM 0 H VAL A 89 116.225 10.845 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 89 117.981 8.809 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 89 119.130 10.680 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.495 11.441 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.139 9.701 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.239 10.861 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.854 12.989 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.586 12.418 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.320 12.359 -6.222 1.00 0.00 H new ATOM 1385 N PHE A 90 116.969 9.184 -4.923 1.00 0.00 N ATOM 1386 CA PHE A 90 116.202 9.148 -3.682 1.00 0.00 C ATOM 1387 C PHE A 90 116.993 9.826 -2.565 1.00 0.00 C ATOM 1388 O PHE A 90 118.150 9.493 -2.331 1.00 0.00 O ATOM 1389 CB PHE A 90 115.934 7.685 -3.321 1.00 0.00 C ATOM 1390 CG PHE A 90 115.244 7.467 -1.994 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.865 7.673 -1.872 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.989 7.034 -0.890 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.232 7.445 -0.643 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.356 6.808 0.337 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.977 7.011 0.460 1.00 0.00 C ATOM 0 H PHE A 90 117.825 8.629 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 90 115.258 9.678 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.325 7.239 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.883 7.150 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.290 8.007 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.053 6.874 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.168 7.604 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.931 6.477 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.487 6.833 1.406 1.00 0.00 H new ATOM 1405 N VAL A 91 116.369 10.775 -1.880 1.00 0.00 N ATOM 1406 CA VAL A 91 117.032 11.496 -0.793 1.00 0.00 C ATOM 1407 C VAL A 91 116.461 11.036 0.540 1.00 0.00 C ATOM 1408 O VAL A 91 115.246 10.987 0.710 1.00 0.00 O ATOM 1409 CB VAL A 91 116.807 13.006 -0.956 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.521 13.801 0.149 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.339 13.457 -2.320 1.00 0.00 C ATOM 0 H VAL A 91 115.407 11.066 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 91 118.102 11.289 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 91 115.737 13.198 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.342 14.866 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.136 13.497 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.592 13.604 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.180 14.529 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.405 13.240 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.811 12.924 -3.111 1.00 0.00 H new ATOM 1421 N ALA A 92 117.335 10.719 1.491 1.00 0.00 N ATOM 1422 CA ALA A 92 116.878 10.295 2.814 1.00 0.00 C ATOM 1423 C ALA A 92 116.969 11.450 3.818 1.00 0.00 C ATOM 1424 O ALA A 92 117.769 12.361 3.623 1.00 0.00 O ATOM 1425 CB ALA A 92 117.726 9.122 3.308 1.00 0.00 C ATOM 0 H ALA A 92 118.348 10.746 1.376 1.00 0.00 H new ATOM 0 HA ALA A 92 115.836 9.984 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.379 8.812 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.634 8.288 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.770 9.429 3.370 1.00 0.00 H new ATOM 1431 N PRO A 93 116.184 11.444 4.876 1.00 0.00 N ATOM 1432 CA PRO A 93 116.240 12.533 5.901 1.00 0.00 C ATOM 1433 C PRO A 93 117.662 12.845 6.364 1.00 0.00 C ATOM 1434 O PRO A 93 117.951 13.965 6.787 1.00 0.00 O ATOM 1435 CB PRO A 93 115.408 12.003 7.070 1.00 0.00 C ATOM 1436 CG PRO A 93 114.476 10.999 6.484 1.00 0.00 C ATOM 1437 CD PRO A 93 115.139 10.456 5.219 1.00 0.00 C ATOM 0 HA PRO A 93 115.864 13.470 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.045 11.549 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.859 12.809 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.281 10.194 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.515 11.456 6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.571 9.470 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.416 10.350 4.410 1.00 0.00 H new ATOM 1445 N ASP A 94 118.543 11.857 6.283 1.00 0.00 N ATOM 1446 CA ASP A 94 119.920 12.037 6.740 1.00 0.00 C ATOM 1447 C ASP A 94 120.688 13.086 5.920 1.00 0.00 C ATOM 1448 O ASP A 94 121.773 13.505 6.321 1.00 0.00 O ATOM 1449 CB ASP A 94 120.654 10.688 6.692 1.00 0.00 C ATOM 1450 CG ASP A 94 120.543 10.022 5.315 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.108 10.671 4.378 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.907 8.861 5.212 1.00 0.00 O ATOM 0 H ASP A 94 118.335 10.931 5.910 1.00 0.00 H new ATOM 0 HA ASP A 94 119.879 12.409 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.705 10.838 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.241 10.023 7.451 1.00 0.00 H new ATOM 1457 N GLY A 95 120.139 13.511 4.781 1.00 0.00 N ATOM 1458 CA GLY A 95 120.833 14.457 3.903 1.00 0.00 C ATOM 1459 C GLY A 95 121.739 13.761 2.873 1.00 0.00 C ATOM 1460 O GLY A 95 122.528 14.421 2.197 1.00 0.00 O ATOM 0 H GLY A 95 119.221 13.218 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.097 15.066 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.434 15.135 4.509 1.00 0.00 H new ATOM 1464 N THR A 96 121.627 12.440 2.755 1.00 0.00 N ATOM 1465 CA THR A 96 122.425 11.669 1.818 1.00 0.00 C ATOM 1466 C THR A 96 121.598 11.381 0.576 1.00 0.00 C ATOM 1467 O THR A 96 120.411 11.068 0.678 1.00 0.00 O ATOM 1468 CB THR A 96 122.840 10.349 2.472 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.542 10.619 3.676 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.736 9.543 1.526 1.00 0.00 C ATOM 0 H THR A 96 120.979 11.879 3.308 1.00 0.00 H new ATOM 0 HA THR A 96 123.316 12.233 1.542 1.00 0.00 H new ATOM 0 HB THR A 96 121.945 9.766 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.807 9.774 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.023 8.607 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.193 9.328 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.631 10.120 1.293 1.00 0.00 H new ATOM 1478 N THR A 97 122.219 11.494 -0.591 1.00 0.00 N ATOM 1479 CA THR A 97 121.526 11.195 -1.837 1.00 0.00 C ATOM 1480 C THR A 97 121.930 9.813 -2.338 1.00 0.00 C ATOM 1481 O THR A 97 123.113 9.486 -2.425 1.00 0.00 O ATOM 1482 CB THR A 97 121.866 12.248 -2.893 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.584 13.541 -2.378 1.00 0.00 O ATOM 1484 CG2 THR A 97 121.028 12.003 -4.149 1.00 0.00 C ATOM 0 H THR A 97 123.190 11.787 -0.701 1.00 0.00 H new ATOM 0 HA THR A 97 120.452 11.209 -1.654 1.00 0.00 H new ATOM 0 HB THR A 97 122.924 12.180 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.803 14.217 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.271 12.754 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.246 11.011 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.969 12.070 -3.899 1.00 0.00 H new ATOM 1492 N TYR A 98 120.925 9.015 -2.667 1.00 0.00 N ATOM 1493 CA TYR A 98 121.136 7.670 -3.182 1.00 0.00 C ATOM 1494 C TYR A 98 120.614 7.604 -4.614 1.00 0.00 C ATOM 1495 O TYR A 98 119.640 8.273 -4.946 1.00 0.00 O ATOM 1496 CB TYR A 98 120.380 6.657 -2.318 1.00 0.00 C ATOM 1497 CG TYR A 98 120.804 6.626 -0.865 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.874 5.817 -0.461 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.121 7.400 0.082 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.258 5.783 0.887 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.506 7.368 1.427 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.574 6.558 1.832 1.00 0.00 C ATOM 1503 OH TYR A 98 121.954 6.527 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.943 9.280 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 98 122.200 7.432 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.314 6.881 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.516 5.663 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.403 5.219 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.295 8.023 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.083 5.158 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.979 7.969 2.153 1.00 0.00 H new ATOM 0 HH TYR A 98 121.563 7.293 3.630 1.00 0.00 H new ATOM 1513 N ALA A 99 121.250 6.797 -5.453 1.00 0.00 N ATOM 1514 CA ALA A 99 120.840 6.689 -6.849 1.00 0.00 C ATOM 1515 C ALA A 99 119.750 5.636 -7.013 1.00 0.00 C ATOM 1516 O ALA A 99 119.922 4.483 -6.614 1.00 0.00 O ATOM 1517 CB ALA A 99 122.044 6.318 -7.717 1.00 0.00 C ATOM 0 H ALA A 99 122.045 6.212 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 99 120.444 7.654 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.731 6.239 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.810 7.088 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.450 5.362 -7.386 1.00 0.00 H new ATOM 1523 N LEU A 100 118.629 6.039 -7.600 1.00 0.00 N ATOM 1524 CA LEU A 100 117.525 5.117 -7.834 1.00 0.00 C ATOM 1525 C LEU A 100 117.777 4.308 -9.097 1.00 0.00 C ATOM 1526 O LEU A 100 117.640 3.084 -9.103 1.00 0.00 O ATOM 1527 CB LEU A 100 116.211 5.883 -7.998 1.00 0.00 C ATOM 1528 CG LEU A 100 115.686 6.336 -6.636 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.728 7.512 -6.836 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.934 5.180 -5.976 1.00 0.00 C ATOM 0 H LEU A 100 118.461 6.993 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 100 117.454 4.451 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.365 6.749 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.472 5.249 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 100 116.518 6.641 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.349 7.841 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.257 8.335 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.894 7.199 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.558 5.499 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.098 4.881 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.609 4.335 -5.844 1.00 0.00 H new ATOM 1542 N ASN A 101 118.146 5.005 -10.169 1.00 0.00 N ATOM 1543 CA ASN A 101 118.342 4.355 -11.469 1.00 0.00 C ATOM 1544 C ASN A 101 119.808 4.369 -11.901 1.00 0.00 C ATOM 1545 O ASN A 101 120.645 5.066 -11.324 1.00 0.00 O ATOM 1546 CB ASN A 101 117.453 5.020 -12.527 1.00 0.00 C ATOM 1547 CG ASN A 101 117.910 6.444 -12.834 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.908 6.918 -12.296 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.226 7.163 -13.681 1.00 0.00 N ATOM 0 H ASN A 101 118.315 6.011 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 101 118.052 3.309 -11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.470 4.427 -13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.421 5.036 -12.177 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.520 8.116 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.397 6.772 -14.129 1.00 0.00 H new ATOM 1556 N ASP A 102 120.109 3.584 -12.930 1.00 0.00 N ATOM 1557 CA ASP A 102 121.489 3.379 -13.354 1.00 0.00 C ATOM 1558 C ASP A 102 122.212 4.697 -13.617 1.00 0.00 C ATOM 1559 O ASP A 102 123.378 4.846 -13.255 1.00 0.00 O ATOM 1560 CB ASP A 102 121.514 2.526 -14.625 1.00 0.00 C ATOM 1561 CG ASP A 102 122.951 2.150 -14.971 1.00 0.00 C ATOM 1562 OD1 ASP A 102 123.439 1.180 -14.417 1.00 0.00 O ATOM 1563 OD2 ASP A 102 123.542 2.838 -15.787 1.00 0.00 O ATOM 0 H ASP A 102 119.417 3.080 -13.485 1.00 0.00 H new ATOM 0 HA ASP A 102 122.009 2.870 -12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.918 1.625 -14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.064 3.076 -15.451 1.00 0.00 H new ATOM 1568 N ARG A 103 121.529 5.652 -14.240 1.00 0.00 N ATOM 1569 CA ARG A 103 122.171 6.912 -14.604 1.00 0.00 C ATOM 1570 C ARG A 103 122.629 7.678 -13.365 1.00 0.00 C ATOM 1571 O ARG A 103 123.734 8.221 -13.336 1.00 0.00 O ATOM 1572 CB ARG A 103 121.219 7.752 -15.456 1.00 0.00 C ATOM 1573 CG ARG A 103 121.015 7.042 -16.797 1.00 0.00 C ATOM 1574 CD ARG A 103 120.159 7.902 -17.727 1.00 0.00 C ATOM 1575 NE ARG A 103 118.862 8.180 -17.109 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.909 7.253 -16.936 1.00 0.00 C ATOM 1577 NH1 ARG A 103 118.073 6.002 -17.292 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.784 7.619 -16.391 1.00 0.00 N ATOM 0 H ARG A 103 120.545 5.581 -14.501 1.00 0.00 H new ATOM 0 HA ARG A 103 123.062 6.692 -15.192 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.265 7.879 -14.945 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.631 8.749 -15.614 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.981 6.842 -17.261 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.533 6.078 -16.636 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.674 8.838 -17.945 1.00 0.00 H new ATOM 0 HD3 ARG A 103 120.014 7.389 -18.678 1.00 0.00 H new ATOM 0 HE ARG A 103 118.673 9.131 -16.793 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.951 5.704 -17.718 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.323 5.327 -17.143 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.646 8.589 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 103 116.041 6.935 -16.247 1.00 0.00 H new ATOM 1592 N ALA A 104 121.801 7.687 -12.325 1.00 0.00 N ATOM 1593 CA ALA A 104 122.185 8.322 -11.066 1.00 0.00 C ATOM 1594 C ALA A 104 123.462 7.691 -10.510 1.00 0.00 C ATOM 1595 O ALA A 104 124.316 8.382 -9.948 1.00 0.00 O ATOM 1596 CB ALA A 104 121.053 8.179 -10.046 1.00 0.00 C ATOM 0 H ALA A 104 120.871 7.268 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 104 122.373 9.379 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.345 8.654 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.153 8.659 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.853 7.122 -9.870 1.00 0.00 H new ATOM 1602 N GLU A 105 123.584 6.372 -10.648 1.00 0.00 N ATOM 1603 CA GLU A 105 124.802 5.687 -10.219 1.00 0.00 C ATOM 1604 C GLU A 105 126.000 6.170 -11.034 1.00 0.00 C ATOM 1605 O GLU A 105 127.077 6.409 -10.492 1.00 0.00 O ATOM 1606 CB GLU A 105 124.645 4.173 -10.379 1.00 0.00 C ATOM 1607 CG GLU A 105 123.518 3.675 -9.467 1.00 0.00 C ATOM 1608 CD GLU A 105 123.370 2.152 -9.524 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.977 1.524 -10.379 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.640 1.628 -8.699 1.00 0.00 O ATOM 0 H GLU A 105 122.868 5.765 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 105 124.973 5.918 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.422 3.928 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.579 3.671 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.719 3.982 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.579 4.143 -9.762 1.00 0.00 H new ATOM 1617 N LYS A 106 125.797 6.356 -12.334 1.00 0.00 N ATOM 1618 CA LYS A 106 126.853 6.881 -13.199 1.00 0.00 C ATOM 1619 C LYS A 106 127.341 8.249 -12.714 1.00 0.00 C ATOM 1620 O LYS A 106 128.521 8.578 -12.844 1.00 0.00 O ATOM 1621 CB LYS A 106 126.330 7.003 -14.634 1.00 0.00 C ATOM 1622 CG LYS A 106 127.472 7.409 -15.568 1.00 0.00 C ATOM 1623 CD LYS A 106 126.972 7.430 -17.015 1.00 0.00 C ATOM 1624 CE LYS A 106 125.971 8.573 -17.207 1.00 0.00 C ATOM 1625 NZ LYS A 106 124.597 8.089 -16.891 1.00 0.00 N ATOM 0 H LYS A 106 124.919 6.153 -12.811 1.00 0.00 H new ATOM 0 HA LYS A 106 127.694 6.188 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.903 6.054 -14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.531 7.743 -14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.850 8.393 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 106 128.302 6.709 -15.470 1.00 0.00 H new ATOM 0 HD2 LYS A 106 127.813 7.554 -17.697 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.501 6.478 -17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 106 126.231 9.411 -16.560 1.00 0.00 H new ATOM 0 HE3 LYS A 106 126.012 8.938 -18.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 123.987 8.207 -17.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 124.635 7.083 -16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 124.209 8.638 -16.098 1.00 0.00 H new ATOM 1639 N ALA A 107 126.428 9.040 -12.154 1.00 0.00 N ATOM 1640 CA ALA A 107 126.764 10.366 -11.630 1.00 0.00 C ATOM 1641 C ALA A 107 127.481 10.314 -10.272 1.00 0.00 C ATOM 1642 O ALA A 107 127.696 11.354 -9.650 1.00 0.00 O ATOM 1643 CB ALA A 107 125.489 11.197 -11.490 1.00 0.00 C ATOM 0 H ALA A 107 125.446 8.786 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 107 127.452 10.822 -12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.739 12.184 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.014 11.302 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.803 10.699 -10.804 1.00 0.00 H new ATOM 1649 N GLY A 108 127.848 9.120 -9.810 1.00 0.00 N ATOM 1650 CA GLY A 108 128.593 8.980 -8.563 1.00 0.00 C ATOM 1651 C GLY A 108 127.712 9.094 -7.318 1.00 0.00 C ATOM 1652 O GLY A 108 128.206 9.428 -6.241 1.00 0.00 O ATOM 0 H GLY A 108 127.642 8.239 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.098 8.014 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.368 9.745 -8.523 1.00 0.00 H new ATOM 1656 N HIS A 109 126.416 8.822 -7.459 1.00 0.00 N ATOM 1657 CA HIS A 109 125.536 8.753 -6.298 1.00 0.00 C ATOM 1658 C HIS A 109 125.423 7.295 -5.831 1.00 0.00 C ATOM 1659 O HIS A 109 124.838 6.488 -6.556 1.00 0.00 O ATOM 1660 CB HIS A 109 124.146 9.263 -6.682 1.00 0.00 C ATOM 1661 CG HIS A 109 124.032 10.764 -6.671 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.541 11.537 -5.639 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.467 11.648 -7.559 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.274 12.824 -5.928 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.621 12.948 -7.086 1.00 0.00 N ATOM 0 H HIS A 109 125.958 8.648 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 109 125.945 9.367 -5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.895 8.895 -7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.412 8.846 -5.993 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.978 11.376 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.554 13.656 -5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.303 13.810 -7.529 1.00 0.00 H new ATOM 1673 N PRO A 110 125.942 6.918 -4.675 1.00 0.00 N ATOM 1674 CA PRO A 110 125.873 5.492 -4.222 1.00 0.00 C ATOM 1675 C PRO A 110 124.430 4.977 -4.218 1.00 0.00 C ATOM 1676 O PRO A 110 123.507 5.770 -4.052 1.00 0.00 O ATOM 1677 CB PRO A 110 126.470 5.494 -2.808 1.00 0.00 C ATOM 1678 CG PRO A 110 126.529 6.923 -2.388 1.00 0.00 C ATOM 1679 CD PRO A 110 126.643 7.740 -3.672 1.00 0.00 C ATOM 0 HA PRO A 110 126.419 4.827 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.853 4.911 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.463 5.045 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 110 125.636 7.201 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 110 127.384 7.102 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 110 126.180 8.721 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.684 7.907 -3.949 1.00 0.00 H new ATOM 1687 N PRO A 111 124.203 3.693 -4.408 1.00 0.00 N ATOM 1688 CA PRO A 111 122.812 3.148 -4.479 1.00 0.00 C ATOM 1689 C PRO A 111 122.132 3.088 -3.113 1.00 0.00 C ATOM 1690 O PRO A 111 122.797 3.088 -2.077 1.00 0.00 O ATOM 1691 CB PRO A 111 122.983 1.749 -5.074 1.00 0.00 C ATOM 1692 CG PRO A 111 124.379 1.338 -4.752 1.00 0.00 C ATOM 1693 CD PRO A 111 125.201 2.614 -4.572 1.00 0.00 C ATOM 0 HA PRO A 111 122.165 3.788 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.262 1.052 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.817 1.759 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.402 0.735 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.793 0.725 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.853 2.544 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.841 2.796 -5.435 1.00 0.00 H new ATOM 1701 N ILE A 112 120.800 3.039 -3.120 1.00 0.00 N ATOM 1702 CA ILE A 112 120.030 2.959 -1.876 1.00 0.00 C ATOM 1703 C ILE A 112 120.379 1.709 -1.052 1.00 0.00 C ATOM 1704 O ILE A 112 120.014 1.646 0.120 1.00 0.00 O ATOM 1705 CB ILE A 112 118.519 2.977 -2.184 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.176 4.264 -2.942 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.705 2.948 -0.880 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.738 4.208 -3.468 1.00 0.00 C ATOM 0 H ILE A 112 120.233 3.053 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 112 120.295 3.831 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 112 118.274 2.100 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.296 5.124 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.869 4.400 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.641 2.961 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.942 2.042 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.954 3.821 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.510 5.130 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.630 3.359 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.049 4.095 -2.631 1.00 0.00 H new ATOM 1720 N THR A 113 121.105 0.743 -1.624 1.00 0.00 N ATOM 1721 CA THR A 113 121.327 -0.546 -0.968 1.00 0.00 C ATOM 1722 C THR A 113 121.664 -0.478 0.533 1.00 0.00 C ATOM 1723 O THR A 113 121.104 -1.285 1.272 1.00 0.00 O ATOM 1724 CB THR A 113 122.348 -1.399 -1.744 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.180 -2.760 -1.376 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.800 -0.990 -1.469 1.00 0.00 C ATOM 0 H THR A 113 121.548 0.831 -2.539 1.00 0.00 H new ATOM 0 HA THR A 113 120.356 -1.040 -0.998 1.00 0.00 H new ATOM 0 HB THR A 113 122.161 -1.243 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.824 -3.313 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.472 -1.627 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.947 0.050 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.014 -1.102 -0.406 1.00 0.00 H new ATOM 1734 N PRO A 114 122.476 0.439 1.040 1.00 0.00 N ATOM 1735 CA PRO A 114 122.888 0.384 2.483 1.00 0.00 C ATOM 1736 C PRO A 114 121.694 0.419 3.440 1.00 0.00 C ATOM 1737 O PRO A 114 121.755 -0.143 4.534 1.00 0.00 O ATOM 1738 CB PRO A 114 123.792 1.604 2.685 1.00 0.00 C ATOM 1739 CG PRO A 114 124.209 2.015 1.316 1.00 0.00 C ATOM 1740 CD PRO A 114 123.044 1.646 0.405 1.00 0.00 C ATOM 0 HA PRO A 114 123.397 -0.554 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.259 2.409 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.656 1.356 3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.416 3.084 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.121 1.501 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.311 2.451 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.379 1.444 -0.612 1.00 0.00 H new ATOM 1748 N ILE A 115 120.612 1.077 3.029 1.00 0.00 N ATOM 1749 CA ILE A 115 119.429 1.226 3.885 1.00 0.00 C ATOM 1750 C ILE A 115 118.313 0.223 3.572 1.00 0.00 C ATOM 1751 O ILE A 115 117.223 0.348 4.125 1.00 0.00 O ATOM 1752 CB ILE A 115 118.856 2.654 3.817 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.734 3.140 2.363 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.754 3.609 4.607 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.962 4.469 2.293 1.00 0.00 C ATOM 0 H ILE A 115 120.526 1.516 2.112 1.00 0.00 H new ATOM 0 HA ILE A 115 119.786 1.018 4.894 1.00 0.00 H new ATOM 0 HB ILE A 115 117.858 2.639 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.728 3.269 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.223 2.386 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.345 4.618 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.800 3.288 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.757 3.602 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.889 4.793 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.961 4.330 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.489 5.227 2.873 1.00 0.00 H new ATOM 1767 N ARG A 116 118.559 -0.760 2.706 1.00 0.00 N ATOM 1768 CA ARG A 116 117.504 -1.695 2.310 1.00 0.00 C ATOM 1769 C ARG A 116 117.109 -2.597 3.482 1.00 0.00 C ATOM 1770 O ARG A 116 117.934 -2.911 4.339 1.00 0.00 O ATOM 1771 CB ARG A 116 117.957 -2.524 1.097 1.00 0.00 C ATOM 1772 CG ARG A 116 119.074 -3.512 1.470 1.00 0.00 C ATOM 1773 CD ARG A 116 119.701 -4.076 0.192 1.00 0.00 C ATOM 1774 NE ARG A 116 120.680 -5.119 0.511 1.00 0.00 N ATOM 1775 CZ ARG A 116 121.840 -4.882 1.141 1.00 0.00 C ATOM 1776 NH1 ARG A 116 122.207 -3.678 1.504 1.00 0.00 N ATOM 1777 NH2 ARG A 116 122.637 -5.886 1.391 1.00 0.00 N ATOM 0 H ARG A 116 119.466 -0.929 2.270 1.00 0.00 H new ATOM 0 HA ARG A 116 116.621 -1.124 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 116 117.106 -3.072 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.309 -1.856 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 116 119.833 -3.010 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 116 118.671 -4.322 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.922 -4.486 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 116 120.185 -3.274 -0.366 1.00 0.00 H new ATOM 0 HE ARG A 116 120.467 -6.079 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 116 121.602 -2.880 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 116 123.097 -3.539 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 116 122.373 -6.830 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 116 123.524 -5.726 1.869 1.00 0.00 H new ATOM 1791 N ALA A 117 115.845 -3.009 3.510 1.00 0.00 N ATOM 1792 CA ALA A 117 115.341 -3.838 4.598 1.00 0.00 C ATOM 1793 C ALA A 117 115.363 -5.319 4.233 1.00 0.00 C ATOM 1794 O ALA A 117 115.089 -5.698 3.093 1.00 0.00 O ATOM 1795 CB ALA A 117 113.904 -3.434 4.924 1.00 0.00 C ATOM 0 H ALA A 117 115.154 -2.783 2.794 1.00 0.00 H new ATOM 0 HA ALA A 117 115.989 -3.684 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.527 -4.054 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.880 -2.387 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.278 -3.573 4.042 1.00 0.00 H new ATOM 1801 N LYS A 118 115.674 -6.151 5.220 1.00 0.00 N ATOM 1802 CA LYS A 118 115.625 -7.596 5.036 1.00 0.00 C ATOM 1803 C LYS A 118 114.296 -8.135 5.553 1.00 0.00 C ATOM 1804 O LYS A 118 113.804 -7.693 6.590 1.00 0.00 O ATOM 1805 CB LYS A 118 116.776 -8.260 5.796 1.00 0.00 C ATOM 1806 CG LYS A 118 118.110 -7.707 5.292 1.00 0.00 C ATOM 1807 CD LYS A 118 119.265 -8.537 5.860 1.00 0.00 C ATOM 1808 CE LYS A 118 119.313 -8.388 7.383 1.00 0.00 C ATOM 1809 NZ LYS A 118 120.687 -8.698 7.868 1.00 0.00 N ATOM 0 H LYS A 118 115.961 -5.852 6.152 1.00 0.00 H new ATOM 0 HA LYS A 118 115.720 -7.821 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 118 116.674 -8.074 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 118 116.742 -9.340 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 118 118.135 -7.730 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 118 118.218 -6.664 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 118 119.137 -9.586 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 118 120.209 -8.210 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 118 119.035 -7.374 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 118 118.591 -9.060 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 120.721 -8.597 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 120.935 -9.674 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 121.365 -8.040 7.434 1.00 0.00 H new ATOM 1823 N GLY A 119 113.719 -9.090 4.830 1.00 0.00 N ATOM 1824 CA GLY A 119 112.443 -9.671 5.235 1.00 0.00 C ATOM 1825 C GLY A 119 112.631 -11.053 5.850 1.00 0.00 C ATOM 1826 O GLY A 119 113.617 -11.736 5.571 1.00 0.00 O ATOM 0 H GLY A 119 114.109 -9.475 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 119 111.955 -9.014 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 119 111.783 -9.743 4.370 1.00 0.00 H new ATOM 1830 N SER A 120 111.683 -11.460 6.688 1.00 0.00 N ATOM 1831 CA SER A 120 111.737 -12.789 7.291 1.00 0.00 C ATOM 1832 C SER A 120 111.750 -13.879 6.217 1.00 0.00 C ATOM 1833 O SER A 120 112.391 -14.916 6.387 1.00 0.00 O ATOM 1834 CB SER A 120 110.532 -12.993 8.209 1.00 0.00 C ATOM 1835 OG SER A 120 109.350 -13.044 7.423 1.00 0.00 O ATOM 0 H SER A 120 110.878 -10.898 6.963 1.00 0.00 H new ATOM 0 HA SER A 120 112.657 -12.861 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 120 110.645 -13.916 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 120 110.468 -12.179 8.931 1.00 0.00 H new ATOM 0 HG SER A 120 108.574 -13.176 8.007 1.00 0.00 H new ATOM 1841 N GLY A 121 111.045 -13.640 5.113 1.00 0.00 N ATOM 1842 CA GLY A 121 111.036 -14.578 3.998 1.00 0.00 C ATOM 1843 C GLY A 121 111.152 -13.830 2.674 1.00 0.00 C ATOM 1844 O GLY A 121 110.841 -12.642 2.593 1.00 0.00 O ATOM 0 H GLY A 121 110.475 -12.807 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 121 111.862 -15.281 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 121 110.116 -15.163 4.014 1.00 0.00 H new ATOM 1848 N GLY A 122 111.601 -14.532 1.640 1.00 0.00 N ATOM 1849 CA GLY A 122 111.756 -13.919 0.323 1.00 0.00 C ATOM 1850 C GLY A 122 113.022 -13.063 0.222 1.00 0.00 C ATOM 1851 O GLY A 122 113.079 -12.134 -0.585 1.00 0.00 O ATOM 0 H GLY A 122 111.862 -15.517 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 122 111.787 -14.700 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 122 110.885 -13.300 0.108 1.00 0.00 H new ATOM 1855 N GLY A 123 114.034 -13.369 1.032 1.00 0.00 N ATOM 1856 CA GLY A 123 115.301 -12.649 0.964 1.00 0.00 C ATOM 1857 C GLY A 123 115.133 -11.177 1.328 1.00 0.00 C ATOM 1858 O GLY A 123 114.715 -10.835 2.433 1.00 0.00 O ATOM 0 H GLY A 123 114.001 -14.105 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.019 -13.112 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 123 115.713 -12.731 -0.042 1.00 0.00 H new ATOM 1862 N TYR A 124 115.473 -10.303 0.386 1.00 0.00 N ATOM 1863 CA TYR A 124 115.422 -8.864 0.624 1.00 0.00 C ATOM 1864 C TYR A 124 114.212 -8.247 -0.066 1.00 0.00 C ATOM 1865 O TYR A 124 113.691 -8.799 -1.035 1.00 0.00 O ATOM 1866 CB TYR A 124 116.703 -8.218 0.102 1.00 0.00 C ATOM 1867 CG TYR A 124 117.886 -8.405 1.021 1.00 0.00 C ATOM 1868 CD1 TYR A 124 118.201 -9.681 1.506 1.00 0.00 C ATOM 1869 CD2 TYR A 124 118.682 -7.309 1.369 1.00 0.00 C ATOM 1870 CE1 TYR A 124 119.310 -9.858 2.341 1.00 0.00 C ATOM 1871 CE2 TYR A 124 119.791 -7.485 2.207 1.00 0.00 C ATOM 1872 CZ TYR A 124 120.105 -8.760 2.692 1.00 0.00 C ATOM 1873 OH TYR A 124 121.199 -8.936 3.514 1.00 0.00 O ATOM 0 H TYR A 124 115.787 -10.565 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 124 115.333 -8.687 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 124 116.941 -8.639 -0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 124 116.530 -7.152 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 124 117.588 -10.528 1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 124 118.442 -6.326 0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 124 119.553 -10.842 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 124 120.403 -6.638 2.479 1.00 0.00 H new ATOM 0 HH TYR A 124 121.642 -8.074 3.658 1.00 0.00 H new ATOM 1883 N ILE A 125 113.769 -7.099 0.438 1.00 0.00 N ATOM 1884 CA ILE A 125 112.572 -6.459 -0.096 1.00 0.00 C ATOM 1885 C ILE A 125 112.932 -5.577 -1.291 1.00 0.00 C ATOM 1886 O ILE A 125 113.873 -4.785 -1.235 1.00 0.00 O ATOM 1887 CB ILE A 125 111.896 -5.636 1.010 1.00 0.00 C ATOM 1888 CG1 ILE A 125 111.540 -6.555 2.187 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.607 -4.999 0.485 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.162 -5.720 3.413 1.00 0.00 C ATOM 0 H ILE A 125 114.215 -6.598 1.206 1.00 0.00 H new ATOM 0 HA ILE A 125 111.875 -7.223 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 125 112.585 -4.855 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 125 110.711 -7.206 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.386 -7.200 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.138 -4.419 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 125 110.841 -4.343 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 125 109.923 -5.781 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 125 110.911 -6.383 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.003 -5.088 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.301 -5.094 3.176 1.00 0.00 H new ATOM 1902 N SER A 126 112.167 -5.728 -2.369 1.00 0.00 N ATOM 1903 CA SER A 126 112.441 -5.016 -3.615 1.00 0.00 C ATOM 1904 C SER A 126 112.180 -3.521 -3.487 1.00 0.00 C ATOM 1905 O SER A 126 111.227 -3.092 -2.837 1.00 0.00 O ATOM 1906 CB SER A 126 111.562 -5.584 -4.731 1.00 0.00 C ATOM 1907 OG SER A 126 111.837 -6.970 -4.881 1.00 0.00 O ATOM 0 H SER A 126 111.351 -6.338 -2.405 1.00 0.00 H new ATOM 0 HA SER A 126 113.496 -5.155 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.509 -5.433 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.756 -5.059 -5.666 1.00 0.00 H new ATOM 0 HG SER A 126 111.275 -7.340 -5.594 1.00 0.00 H new ATOM 1913 N LEU A 127 113.046 -2.737 -4.119 1.00 0.00 N ATOM 1914 CA LEU A 127 112.832 -1.292 -4.236 1.00 0.00 C ATOM 1915 C LEU A 127 112.081 -0.915 -5.525 1.00 0.00 C ATOM 1916 O LEU A 127 111.922 0.268 -5.824 1.00 0.00 O ATOM 1917 CB LEU A 127 114.180 -0.559 -4.223 1.00 0.00 C ATOM 1918 CG LEU A 127 114.996 -0.939 -2.982 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.349 -0.226 -3.026 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.248 -0.516 -1.715 1.00 0.00 C ATOM 0 H LEU A 127 113.903 -3.073 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 127 112.222 -0.993 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.742 -0.807 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 127 114.013 0.518 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 127 115.145 -2.019 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.931 -0.495 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.890 -0.527 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.192 0.852 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.834 -0.790 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.094 0.563 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.282 -1.020 -1.677 1.00 0.00 H new ATOM 1932 N GLY A 128 111.620 -1.904 -6.296 1.00 0.00 N ATOM 1933 CA GLY A 128 110.992 -1.636 -7.587 1.00 0.00 C ATOM 1934 C GLY A 128 109.906 -0.565 -7.499 1.00 0.00 C ATOM 1935 O GLY A 128 109.847 0.331 -8.340 1.00 0.00 O ATOM 0 H GLY A 128 111.671 -2.892 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.754 -1.318 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.558 -2.558 -7.974 1.00 0.00 H new ATOM 1939 N ALA A 129 109.063 -0.641 -6.473 1.00 0.00 N ATOM 1940 CA ALA A 129 107.953 0.300 -6.347 1.00 0.00 C ATOM 1941 C ALA A 129 108.466 1.735 -6.269 1.00 0.00 C ATOM 1942 O ALA A 129 107.980 2.623 -6.972 1.00 0.00 O ATOM 1943 CB ALA A 129 107.136 -0.022 -5.094 1.00 0.00 C ATOM 0 H ALA A 129 109.124 -1.333 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 129 107.320 0.204 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.310 0.684 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.741 -1.035 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.774 0.056 -4.214 1.00 0.00 H new ATOM 1949 N LEU A 130 109.473 1.952 -5.431 1.00 0.00 N ATOM 1950 CA LEU A 130 110.024 3.291 -5.252 1.00 0.00 C ATOM 1951 C LEU A 130 110.553 3.830 -6.577 1.00 0.00 C ATOM 1952 O LEU A 130 110.316 4.987 -6.929 1.00 0.00 O ATOM 1953 CB LEU A 130 111.150 3.240 -4.217 1.00 0.00 C ATOM 1954 CG LEU A 130 111.667 4.653 -3.938 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.597 5.451 -3.191 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.930 4.566 -3.078 1.00 0.00 C ATOM 0 H LEU A 130 109.921 1.227 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 130 109.237 3.958 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.787 2.788 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.963 2.612 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 130 111.897 5.151 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.966 6.457 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.695 5.509 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.367 4.956 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.303 5.570 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.695 4.070 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.693 3.996 -3.608 1.00 0.00 H new ATOM 1968 N LEU A 131 111.243 2.976 -7.325 1.00 0.00 N ATOM 1969 CA LEU A 131 111.808 3.390 -8.603 1.00 0.00 C ATOM 1970 C LEU A 131 110.705 3.851 -9.548 1.00 0.00 C ATOM 1971 O LEU A 131 110.839 4.876 -10.211 1.00 0.00 O ATOM 1972 CB LEU A 131 112.588 2.227 -9.229 1.00 0.00 C ATOM 1973 CG LEU A 131 113.248 2.674 -10.539 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.362 3.677 -10.237 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.845 1.458 -11.251 1.00 0.00 C ATOM 0 H LEU A 131 111.423 2.004 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 131 112.488 4.224 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.348 1.873 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.916 1.390 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 131 112.499 3.142 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.830 3.993 -11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.942 4.545 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.110 3.209 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.314 1.776 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.592 0.991 -10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.055 0.740 -11.469 1.00 0.00 H new ATOM 1987 N SER A 132 109.604 3.111 -9.582 1.00 0.00 N ATOM 1988 CA SER A 132 108.518 3.429 -10.502 1.00 0.00 C ATOM 1989 C SER A 132 107.983 4.831 -10.239 1.00 0.00 C ATOM 1990 O SER A 132 107.773 5.606 -11.173 1.00 0.00 O ATOM 1991 CB SER A 132 107.387 2.410 -10.351 1.00 0.00 C ATOM 1992 OG SER A 132 107.912 1.101 -10.522 1.00 0.00 O ATOM 0 H SER A 132 109.439 2.296 -8.991 1.00 0.00 H new ATOM 0 HA SER A 132 108.908 3.388 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.925 2.504 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.608 2.602 -11.089 1.00 0.00 H new ATOM 0 HG SER A 132 108.405 0.839 -9.717 1.00 0.00 H new ATOM 1998 N THR A 133 107.802 5.169 -8.966 1.00 0.00 N ATOM 1999 CA THR A 133 107.249 6.472 -8.618 1.00 0.00 C ATOM 2000 C THR A 133 108.157 7.591 -9.117 1.00 0.00 C ATOM 2001 O THR A 133 107.701 8.536 -9.768 1.00 0.00 O ATOM 2002 CB THR A 133 107.080 6.583 -7.101 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.315 5.483 -6.631 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.363 7.890 -6.757 1.00 0.00 C ATOM 0 H THR A 133 108.026 4.570 -8.171 1.00 0.00 H new ATOM 0 HA THR A 133 106.275 6.571 -9.097 1.00 0.00 H new ATOM 0 HB THR A 133 108.061 6.575 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.207 5.551 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.244 7.966 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.951 8.734 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.382 7.903 -7.232 1.00 0.00 H new ATOM 2012 N THR A 134 109.451 7.460 -8.846 1.00 0.00 N ATOM 2013 CA THR A 134 110.396 8.503 -9.231 1.00 0.00 C ATOM 2014 C THR A 134 110.451 8.656 -10.748 1.00 0.00 C ATOM 2015 O THR A 134 110.514 9.772 -11.262 1.00 0.00 O ATOM 2016 CB THR A 134 111.787 8.189 -8.676 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.670 7.853 -7.302 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.680 9.423 -8.823 1.00 0.00 C ATOM 0 H THR A 134 109.865 6.658 -8.370 1.00 0.00 H new ATOM 0 HA THR A 134 110.053 9.447 -8.807 1.00 0.00 H new ATOM 0 HB THR A 134 112.226 7.355 -9.224 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.908 8.330 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.672 9.203 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.760 9.691 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.245 10.255 -8.269 1.00 0.00 H new ATOM 2026 N LEU A 135 110.406 7.538 -11.470 1.00 0.00 N ATOM 2027 CA LEU A 135 110.445 7.581 -12.928 1.00 0.00 C ATOM 2028 C LEU A 135 109.251 8.353 -13.483 1.00 0.00 C ATOM 2029 O LEU A 135 109.384 9.095 -14.456 1.00 0.00 O ATOM 2030 CB LEU A 135 110.449 6.163 -13.503 1.00 0.00 C ATOM 2031 CG LEU A 135 111.766 5.467 -13.153 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.668 3.981 -13.508 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.907 6.100 -13.953 1.00 0.00 C ATOM 0 H LEU A 135 110.343 6.601 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 135 111.361 8.093 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.609 5.596 -13.102 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.322 6.199 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 135 111.960 5.578 -12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.606 3.485 -13.259 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.855 3.525 -12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.473 3.874 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.845 5.604 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.710 5.988 -15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.980 7.159 -13.707 1.00 0.00 H new ATOM 2045 N ASN A 136 108.085 8.175 -12.866 1.00 0.00 N ATOM 2046 CA ASN A 136 106.889 8.885 -13.306 1.00 0.00 C ATOM 2047 C ASN A 136 107.118 10.392 -13.245 1.00 0.00 C ATOM 2048 O ASN A 136 106.742 11.126 -14.159 1.00 0.00 O ATOM 2049 CB ASN A 136 105.701 8.509 -12.419 1.00 0.00 C ATOM 2050 CG ASN A 136 104.402 9.002 -13.050 1.00 0.00 C ATOM 2051 OD1 ASN A 136 104.051 8.585 -14.153 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.665 9.869 -12.412 1.00 0.00 N ATOM 0 H ASN A 136 107.944 7.553 -12.070 1.00 0.00 H new ATOM 0 HA ASN A 136 106.673 8.600 -14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.663 7.428 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.823 8.947 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.795 10.203 -12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 136 103.958 10.213 -11.498 1.00 0.00 H new ATOM 2059 N LEU A 137 107.738 10.843 -12.159 1.00 0.00 N ATOM 2060 CA LEU A 137 108.073 12.257 -12.018 1.00 0.00 C ATOM 2061 C LEU A 137 109.055 12.695 -13.103 1.00 0.00 C ATOM 2062 O LEU A 137 108.942 13.794 -13.647 1.00 0.00 O ATOM 2063 CB LEU A 137 108.686 12.517 -10.640 1.00 0.00 C ATOM 2064 CG LEU A 137 107.705 12.099 -9.541 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.375 12.269 -8.175 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.454 12.980 -9.601 1.00 0.00 C ATOM 0 H LEU A 137 108.016 10.258 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 137 107.155 12.835 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.618 11.961 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.932 13.574 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 137 107.421 11.057 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.680 11.973 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.266 11.643 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.657 13.313 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.759 12.679 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.736 14.023 -9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.975 12.866 -10.574 1.00 0.00 H new ATOM 2078 N CYS A 138 110.016 11.830 -13.411 1.00 0.00 N ATOM 2079 CA CYS A 138 110.993 12.122 -14.459 1.00 0.00 C ATOM 2080 C CYS A 138 110.324 12.339 -15.823 1.00 0.00 C ATOM 2081 O CYS A 138 110.880 13.021 -16.683 1.00 0.00 O ATOM 2082 CB CYS A 138 111.995 10.965 -14.567 1.00 0.00 C ATOM 2083 SG CYS A 138 113.344 11.173 -13.375 1.00 0.00 S ATOM 0 H CYS A 138 110.141 10.926 -12.954 1.00 0.00 H new ATOM 0 HA CYS A 138 111.505 13.044 -14.184 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.486 10.018 -14.386 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.400 10.921 -15.578 1.00 0.00 H new ATOM 2088 N GLY A 139 109.139 11.765 -16.025 1.00 0.00 N ATOM 2089 CA GLY A 139 108.435 11.906 -17.298 1.00 0.00 C ATOM 2090 C GLY A 139 108.905 10.893 -18.347 1.00 0.00 C ATOM 2091 O GLY A 139 108.747 11.125 -19.545 1.00 0.00 O ATOM 0 H GLY A 139 108.649 11.202 -15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.365 11.782 -17.133 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.584 12.916 -17.681 1.00 0.00 H new ATOM 2095 N LYS A 140 109.480 9.775 -17.907 1.00 0.00 N ATOM 2096 CA LYS A 140 109.950 8.751 -18.832 1.00 0.00 C ATOM 2097 C LYS A 140 108.808 7.824 -19.233 1.00 0.00 C ATOM 2098 O LYS A 140 108.041 7.367 -18.386 1.00 0.00 O ATOM 2099 CB LYS A 140 111.070 7.934 -18.183 1.00 0.00 C ATOM 2100 CG LYS A 140 111.672 6.979 -19.216 1.00 0.00 C ATOM 2101 CD LYS A 140 112.734 6.105 -18.547 1.00 0.00 C ATOM 2102 CE LYS A 140 113.445 5.262 -19.606 1.00 0.00 C ATOM 2103 NZ LYS A 140 114.060 6.159 -20.625 1.00 0.00 N ATOM 0 H LYS A 140 109.630 9.558 -16.922 1.00 0.00 H new ATOM 0 HA LYS A 140 110.332 9.245 -19.726 1.00 0.00 H new ATOM 0 HB2 LYS A 140 111.841 8.599 -17.795 1.00 0.00 H new ATOM 0 HB3 LYS A 140 110.679 7.370 -17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 140 110.890 6.354 -19.647 1.00 0.00 H new ATOM 0 HG3 LYS A 140 112.115 7.545 -20.035 1.00 0.00 H new ATOM 0 HD2 LYS A 140 113.455 6.730 -18.021 1.00 0.00 H new ATOM 0 HD3 LYS A 140 112.271 5.457 -17.803 1.00 0.00 H new ATOM 0 HE2 LYS A 140 114.212 4.644 -19.139 1.00 0.00 H new ATOM 0 HE3 LYS A 140 112.737 4.584 -20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 114.881 5.686 -21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 113.361 6.376 -21.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 114.367 7.042 -20.170 1.00 0.00 H new ATOM 2117 N GLY A 141 108.699 7.552 -20.529 1.00 0.00 N ATOM 2118 CA GLY A 141 107.647 6.675 -21.029 1.00 0.00 C ATOM 2119 C GLY A 141 106.269 7.187 -20.623 1.00 0.00 C ATOM 2120 O GLY A 141 105.666 6.578 -19.755 1.00 0.00 O ATOM 2121 OXT GLY A 141 105.839 8.180 -21.184 1.00 0.00 O ATOM 0 H GLY A 141 109.321 7.923 -21.247 1.00 0.00 H new ATOM 0 HA2 GLY A 141 107.709 6.610 -22.115 1.00 0.00 H new ATOM 0 HA3 GLY A 141 107.793 5.667 -20.640 1.00 0.00 H new TER 2125 GLY A 141