USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1071 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 Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0069) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.0375) USER MOD Single : A 7 HIS : no HE2:sc= -0.0131 X(o=-0.013,f=-0.47) USER MOD Single : A 11 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.447 K(o=0.45,f=-5.7!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.642 USER MOD Single : A 45 ASN : amide:sc= -0.0461 K(o=-0.046,f=-3.4!) USER MOD Single : A 49 CYS SG : rot 35:sc= 0.815 USER MOD Single : A 52 CYS SG : rot 68:sc= 0.062 USER MOD Single : A 54 TYR OH : rot 40:sc= 0.0805 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 60 MET CE :methyl -178:sc= -0.0769 (180deg=-0.0873) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 170:sc= -1.88 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 68:sc= 0.3 USER MOD Single : A 70 HIS : no HE2:sc= -1.85 X(o=-1.9,f=-2) USER MOD Single : A 74 THR OG1 : rot -94:sc= 1.6 USER MOD Single : A 75 GLN : amide:sc= 0.275 K(o=0.28,f=-7.4!) USER MOD Single : A 81 GLN : amide:sc= 0.788 K(o=0.79,f=-4.1!) USER MOD Single : A 84 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= 1.09 (180deg=0.625) USER MOD Single : A 104 SER OG : rot 180:sc= 0.148 USER MOD Single : A 105 CYS SG : rot 14:sc= -0.03 USER MOD Single : A 108 CYS SG : rot 25:sc= 0.785 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.946 K(o=0.95,f=-3.2!) USER MOD Single : A 124 MET CE :methyl -111:sc= 0 (180deg=-0.0987) USER MOD Single : A 128 ASN : amide:sc= 0.822 K(o=0.82,f=-0.38) USER MOD Single : A 133 MET CE :methyl -169:sc= 0 (180deg=-0.135) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.722 -17.018 -8.185 1.00 0.00 N ATOM 2 CA MET A 1 27.979 -17.715 -7.767 1.00 0.00 C ATOM 3 C MET A 1 28.948 -16.774 -7.016 1.00 0.00 C ATOM 4 O MET A 1 29.009 -16.912 -5.789 1.00 0.00 O ATOM 5 CB MET A 1 28.643 -18.534 -8.904 1.00 0.00 C ATOM 6 CG MET A 1 27.897 -19.846 -9.202 1.00 0.00 C ATOM 7 SD MET A 1 28.624 -20.871 -10.516 1.00 0.00 S ATOM 8 CE MET A 1 30.112 -21.499 -9.684 1.00 0.00 C ATOM 0 H1 MET A 1 25.989 -17.724 -8.402 1.00 0.00 H new ATOM 0 H2 MET A 1 26.393 -16.403 -7.413 1.00 0.00 H new ATOM 0 H3 MET A 1 26.909 -16.442 -9.031 1.00 0.00 H new ATOM 0 HA MET A 1 27.681 -18.470 -7.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.680 -17.928 -9.809 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.673 -18.761 -8.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.853 -20.436 -8.286 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.870 -19.606 -9.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.646 -22.174 -10.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.760 -20.664 -9.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.824 -22.037 -8.781 1.00 0.00 H new ATOM 18 N PRO A 2 29.693 -15.835 -7.656 1.00 0.00 N ATOM 19 CA PRO A 2 30.584 -14.912 -6.941 1.00 0.00 C ATOM 20 C PRO A 2 29.798 -13.856 -6.144 1.00 0.00 C ATOM 21 O PRO A 2 28.644 -13.559 -6.457 1.00 0.00 O ATOM 22 CB PRO A 2 31.464 -14.265 -8.017 1.00 0.00 C ATOM 23 CG PRO A 2 30.552 -14.255 -9.240 1.00 0.00 C ATOM 24 CD PRO A 2 29.786 -15.570 -9.092 1.00 0.00 C ATOM 0 HA PRO A 2 31.184 -15.441 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 2 31.773 -13.259 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 2 32.373 -14.840 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 2 29.884 -13.394 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 2 31.120 -14.219 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 2 28.794 -15.494 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 2 30.304 -16.381 -9.604 1.00 0.00 H new ATOM 32 N VAL A 3 30.437 -13.277 -5.121 1.00 0.00 N ATOM 33 CA VAL A 3 29.833 -12.257 -4.240 1.00 0.00 C ATOM 34 C VAL A 3 30.019 -10.859 -4.845 1.00 0.00 C ATOM 35 O VAL A 3 31.144 -10.436 -5.116 1.00 0.00 O ATOM 36 CB VAL A 3 30.419 -12.323 -2.806 1.00 0.00 C ATOM 37 CG1 VAL A 3 29.854 -11.221 -1.891 1.00 0.00 C ATOM 38 CG2 VAL A 3 30.128 -13.688 -2.157 1.00 0.00 C ATOM 0 H VAL A 3 31.401 -13.503 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 3 28.766 -12.466 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 3 31.494 -12.175 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 3 30.295 -11.310 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 3 30.094 -10.243 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 3 28.772 -11.328 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 3 30.549 -13.710 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 3 29.050 -13.843 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 3 30.578 -14.479 -2.756 1.00 0.00 H new ATOM 48 N ARG A 4 28.909 -10.130 -5.018 1.00 0.00 N ATOM 49 CA ARG A 4 28.891 -8.728 -5.462 1.00 0.00 C ATOM 50 C ARG A 4 29.199 -7.773 -4.294 1.00 0.00 C ATOM 51 O ARG A 4 28.691 -7.960 -3.185 1.00 0.00 O ATOM 52 CB ARG A 4 27.522 -8.386 -6.085 1.00 0.00 C ATOM 53 CG ARG A 4 27.171 -9.187 -7.352 1.00 0.00 C ATOM 54 CD ARG A 4 28.095 -8.879 -8.538 1.00 0.00 C ATOM 55 NE ARG A 4 27.627 -9.555 -9.762 1.00 0.00 N ATOM 56 CZ ARG A 4 28.049 -9.328 -11.002 1.00 0.00 C ATOM 57 NH1 ARG A 4 28.995 -8.450 -11.273 1.00 0.00 N ATOM 58 NH2 ARG A 4 27.515 -9.993 -12.004 1.00 0.00 N ATOM 0 H ARG A 4 27.976 -10.506 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 4 29.667 -8.600 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.746 -8.556 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 4 27.504 -7.323 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.223 -10.252 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 4 26.141 -8.971 -7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 4 28.132 -7.802 -8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 4 29.110 -9.201 -8.306 1.00 0.00 H new ATOM 0 HE ARG A 4 26.907 -10.268 -9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 4 29.429 -7.918 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 4 29.293 -8.303 -12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 4 26.781 -10.679 -11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 4 27.835 -9.823 -12.957 1.00 0.00 H new ATOM 72 N ARG A 5 30.014 -6.742 -4.556 1.00 0.00 N ATOM 73 CA ARG A 5 30.391 -5.690 -3.592 1.00 0.00 C ATOM 74 C ARG A 5 29.678 -4.362 -3.907 1.00 0.00 C ATOM 75 O ARG A 5 29.217 -4.142 -5.032 1.00 0.00 O ATOM 76 CB ARG A 5 31.919 -5.480 -3.571 1.00 0.00 C ATOM 77 CG ARG A 5 32.750 -6.720 -3.182 1.00 0.00 C ATOM 78 CD ARG A 5 33.148 -7.631 -4.358 1.00 0.00 C ATOM 79 NE ARG A 5 33.971 -6.914 -5.354 1.00 0.00 N ATOM 80 CZ ARG A 5 35.292 -6.757 -5.343 1.00 0.00 C ATOM 81 NH1 ARG A 5 36.057 -7.278 -4.405 1.00 0.00 N ATOM 82 NH2 ARG A 5 35.863 -6.055 -6.297 1.00 0.00 N ATOM 0 H ARG A 5 30.444 -6.610 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 5 30.073 -6.024 -2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 5 32.237 -5.145 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 5 32.149 -4.675 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 5 33.657 -6.387 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 5 32.181 -7.309 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 5 33.701 -8.491 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 5 32.249 -8.017 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 5 33.471 -6.493 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 5 35.640 -7.825 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 5 37.067 -7.135 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 5 35.294 -5.638 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 5 36.875 -5.927 -6.300 1.00 0.00 H new ATOM 96 N GLY A 6 29.608 -3.462 -2.919 1.00 0.00 N ATOM 97 CA GLY A 6 29.006 -2.126 -3.048 1.00 0.00 C ATOM 98 C GLY A 6 30.005 -1.108 -3.599 1.00 0.00 C ATOM 99 O GLY A 6 30.848 -0.604 -2.858 1.00 0.00 O ATOM 0 H GLY A 6 29.976 -3.645 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.139 -2.179 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 6 28.646 -1.793 -2.074 1.00 0.00 H new ATOM 103 N HIS A 7 29.885 -0.786 -4.886 1.00 0.00 N ATOM 104 CA HIS A 7 30.696 0.194 -5.625 1.00 0.00 C ATOM 105 C HIS A 7 30.052 0.536 -6.992 1.00 0.00 C ATOM 106 O HIS A 7 29.128 -0.155 -7.432 1.00 0.00 O ATOM 107 CB HIS A 7 32.148 -0.320 -5.781 1.00 0.00 C ATOM 108 CG HIS A 7 32.303 -1.657 -6.477 1.00 0.00 C ATOM 109 ND1 HIS A 7 31.937 -1.970 -7.770 1.00 0.00 N ATOM 110 CD2 HIS A 7 32.914 -2.770 -5.959 1.00 0.00 C ATOM 111 CE1 HIS A 7 32.306 -3.239 -8.015 1.00 0.00 C ATOM 112 NE2 HIS A 7 32.912 -3.775 -6.938 1.00 0.00 N ATOM 0 H HIS A 7 29.180 -1.224 -5.479 1.00 0.00 H new ATOM 0 HA HIS A 7 30.731 1.121 -5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 7 32.720 0.425 -6.335 1.00 0.00 H new ATOM 0 HB3 HIS A 7 32.596 -0.393 -4.790 1.00 0.00 H new ATOM 0 HD1 HIS A 7 31.468 -1.346 -8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 7 33.327 -2.858 -4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 7 32.139 -3.758 -8.947 1.00 0.00 H new ATOM 120 N VAL A 8 30.556 1.564 -7.690 1.00 0.00 N ATOM 121 CA VAL A 8 30.099 1.964 -9.039 1.00 0.00 C ATOM 122 C VAL A 8 31.206 2.711 -9.799 1.00 0.00 C ATOM 123 O VAL A 8 31.863 3.593 -9.249 1.00 0.00 O ATOM 124 CB VAL A 8 28.770 2.768 -8.984 1.00 0.00 C ATOM 125 CG1 VAL A 8 28.876 4.106 -8.227 1.00 0.00 C ATOM 126 CG2 VAL A 8 28.200 3.018 -10.390 1.00 0.00 C ATOM 0 H VAL A 8 31.306 2.154 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 8 29.883 1.055 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 8 28.087 2.134 -8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 8 27.907 4.606 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 8 29.180 3.918 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 8 29.616 4.742 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 8 27.271 3.583 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 8 28.920 3.585 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 8 28.004 2.063 -10.878 1.00 0.00 H new ATOM 136 N ALA A 9 31.417 2.332 -11.064 1.00 0.00 N ATOM 137 CA ALA A 9 32.392 2.945 -11.974 1.00 0.00 C ATOM 138 C ALA A 9 31.764 4.089 -12.806 1.00 0.00 C ATOM 139 O ALA A 9 30.557 4.034 -13.082 1.00 0.00 O ATOM 140 CB ALA A 9 32.947 1.831 -12.875 1.00 0.00 C ATOM 0 H ALA A 9 30.899 1.567 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 9 33.198 3.404 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.677 2.252 -13.566 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.427 1.070 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.131 1.379 -13.439 1.00 0.00 H new ATOM 146 N PRO A 10 32.550 5.094 -13.252 1.00 0.00 N ATOM 147 CA PRO A 10 32.061 6.177 -14.103 1.00 0.00 C ATOM 148 C PRO A 10 31.644 5.630 -15.474 1.00 0.00 C ATOM 149 O PRO A 10 32.455 5.068 -16.211 1.00 0.00 O ATOM 150 CB PRO A 10 33.203 7.197 -14.185 1.00 0.00 C ATOM 151 CG PRO A 10 34.456 6.356 -13.943 1.00 0.00 C ATOM 152 CD PRO A 10 33.970 5.279 -12.972 1.00 0.00 C ATOM 0 HA PRO A 10 31.168 6.655 -13.699 1.00 0.00 H new ATOM 0 HB2 PRO A 10 33.232 7.689 -15.157 1.00 0.00 H new ATOM 0 HB3 PRO A 10 33.095 7.980 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 10 34.835 5.923 -14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 10 35.263 6.950 -13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 10 34.520 4.349 -13.115 1.00 0.00 H new ATOM 0 HD3 PRO A 10 34.127 5.587 -11.938 1.00 0.00 H new ATOM 160 N GLN A 11 30.357 5.788 -15.796 1.00 0.00 N ATOM 161 CA GLN A 11 29.716 5.265 -17.009 1.00 0.00 C ATOM 162 C GLN A 11 28.834 6.346 -17.634 1.00 0.00 C ATOM 163 O GLN A 11 29.122 6.850 -18.721 1.00 0.00 O ATOM 164 CB GLN A 11 28.864 4.037 -16.648 1.00 0.00 C ATOM 165 CG GLN A 11 29.697 2.791 -16.298 1.00 0.00 C ATOM 166 CD GLN A 11 28.888 1.791 -15.475 1.00 0.00 C ATOM 167 OE1 GLN A 11 28.317 0.831 -15.982 1.00 0.00 O ATOM 168 NE2 GLN A 11 28.789 1.991 -14.174 1.00 0.00 N ATOM 0 H GLN A 11 29.709 6.302 -15.199 1.00 0.00 H new ATOM 0 HA GLN A 11 30.482 4.973 -17.728 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.224 4.285 -15.801 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.208 3.802 -17.486 1.00 0.00 H new ATOM 0 HG2 GLN A 11 30.043 2.314 -17.215 1.00 0.00 H new ATOM 0 HG3 GLN A 11 30.584 3.090 -15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 11 29.260 2.786 -13.743 1.00 0.00 H new ATOM 0 HE22 GLN A 11 28.241 1.350 -13.600 1.00 0.00 H new ATOM 177 N ASN A 12 27.771 6.726 -16.923 1.00 0.00 N ATOM 178 CA ASN A 12 26.901 7.832 -17.286 1.00 0.00 C ATOM 179 C ASN A 12 27.666 9.166 -17.257 1.00 0.00 C ATOM 180 O ASN A 12 28.312 9.513 -16.262 1.00 0.00 O ATOM 181 CB ASN A 12 25.706 7.878 -16.323 1.00 0.00 C ATOM 182 CG ASN A 12 24.752 6.709 -16.474 1.00 0.00 C ATOM 183 OD1 ASN A 12 23.971 6.721 -17.538 1.00 0.00 O flip ATOM 184 ND2 ASN A 12 24.677 5.815 -15.642 1.00 0.00 N flip ATOM 0 H ASN A 12 27.490 6.259 -16.061 1.00 0.00 H new ATOM 0 HA ASN A 12 26.540 7.677 -18.303 1.00 0.00 H new ATOM 0 HB2 ASN A 12 26.078 7.901 -15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 12 25.157 8.806 -16.484 1.00 0.00 H new ATOM 0 HD21 ASN A 12 25.290 5.824 -14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 12 24.002 5.060 -15.764 1.00 0.00 H new ATOM 191 N THR A 13 27.525 9.930 -18.345 1.00 0.00 N ATOM 192 CA THR A 13 28.019 11.315 -18.489 1.00 0.00 C ATOM 193 C THR A 13 26.883 12.314 -18.707 1.00 0.00 C ATOM 194 O THR A 13 26.803 13.302 -17.978 1.00 0.00 O ATOM 195 CB THR A 13 29.051 11.404 -19.621 1.00 0.00 C ATOM 196 OG1 THR A 13 28.519 10.823 -20.797 1.00 0.00 O ATOM 197 CG2 THR A 13 30.333 10.661 -19.234 1.00 0.00 C ATOM 0 H THR A 13 27.048 9.595 -19.182 1.00 0.00 H new ATOM 0 HA THR A 13 28.504 11.585 -17.551 1.00 0.00 H new ATOM 0 HB THR A 13 29.284 12.454 -19.797 1.00 0.00 H new ATOM 0 HG1 THR A 13 29.179 10.883 -21.519 1.00 0.00 H new ATOM 0 HG21 THR A 13 31.055 10.733 -20.047 1.00 0.00 H new ATOM 0 HG22 THR A 13 30.755 11.108 -18.334 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.103 9.612 -19.045 1.00 0.00 H new ATOM 205 N PHE A 14 25.987 12.051 -19.666 1.00 0.00 N ATOM 206 CA PHE A 14 24.853 12.925 -19.988 1.00 0.00 C ATOM 207 C PHE A 14 23.636 12.625 -19.106 1.00 0.00 C ATOM 208 O PHE A 14 23.158 13.503 -18.388 1.00 0.00 O ATOM 209 CB PHE A 14 24.509 12.776 -21.475 1.00 0.00 C ATOM 210 CG PHE A 14 23.656 13.910 -22.014 1.00 0.00 C ATOM 211 CD1 PHE A 14 22.252 13.858 -21.902 1.00 0.00 C ATOM 212 CD2 PHE A 14 24.266 15.025 -22.620 1.00 0.00 C ATOM 213 CE1 PHE A 14 21.466 14.918 -22.384 1.00 0.00 C ATOM 214 CE2 PHE A 14 23.478 16.084 -23.108 1.00 0.00 C ATOM 215 CZ PHE A 14 22.079 16.030 -22.990 1.00 0.00 C ATOM 0 H PHE A 14 26.030 11.214 -20.248 1.00 0.00 H new ATOM 0 HA PHE A 14 25.138 13.957 -19.785 1.00 0.00 H new ATOM 0 HB2 PHE A 14 25.433 12.722 -22.050 1.00 0.00 H new ATOM 0 HB3 PHE A 14 23.984 11.833 -21.626 1.00 0.00 H new ATOM 0 HD1 PHE A 14 21.779 13.001 -21.445 1.00 0.00 H new ATOM 0 HD2 PHE A 14 25.341 15.068 -22.711 1.00 0.00 H new ATOM 0 HE1 PHE A 14 20.391 14.879 -22.289 1.00 0.00 H new ATOM 0 HE2 PHE A 14 23.948 16.938 -23.573 1.00 0.00 H new ATOM 0 HZ PHE A 14 21.474 16.842 -23.365 1.00 0.00 H new ATOM 225 N LEU A 15 23.163 11.368 -19.125 1.00 0.00 N ATOM 226 CA LEU A 15 22.032 10.899 -18.315 1.00 0.00 C ATOM 227 C LEU A 15 22.296 11.118 -16.821 1.00 0.00 C ATOM 228 O LEU A 15 21.393 11.502 -16.091 1.00 0.00 O ATOM 229 CB LEU A 15 21.757 9.418 -18.644 1.00 0.00 C ATOM 230 CG LEU A 15 20.558 8.832 -17.869 1.00 0.00 C ATOM 231 CD1 LEU A 15 19.225 9.456 -18.312 1.00 0.00 C ATOM 232 CD2 LEU A 15 20.458 7.314 -18.070 1.00 0.00 C ATOM 0 H LEU A 15 23.564 10.639 -19.714 1.00 0.00 H new ATOM 0 HA LEU A 15 21.142 11.479 -18.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.572 9.319 -19.714 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.648 8.832 -18.419 1.00 0.00 H new ATOM 0 HG LEU A 15 20.735 9.064 -16.819 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.409 9.014 -17.741 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.250 10.531 -18.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.069 9.266 -19.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.604 6.929 -17.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.328 7.095 -19.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.371 6.838 -17.711 1.00 0.00 H new ATOM 244 N ASP A 16 23.550 10.974 -16.394 1.00 0.00 N ATOM 245 CA ASP A 16 24.037 11.324 -15.044 1.00 0.00 C ATOM 246 C ASP A 16 23.552 12.678 -14.513 1.00 0.00 C ATOM 247 O ASP A 16 23.258 12.798 -13.323 1.00 0.00 O ATOM 248 CB ASP A 16 25.567 11.370 -15.063 1.00 0.00 C ATOM 249 CG ASP A 16 26.150 11.353 -13.641 1.00 0.00 C ATOM 250 OD1 ASP A 16 26.158 10.271 -13.008 1.00 0.00 O ATOM 251 OD2 ASP A 16 26.584 12.422 -13.154 1.00 0.00 O ATOM 0 H ASP A 16 24.286 10.599 -16.992 1.00 0.00 H new ATOM 0 HA ASP A 16 23.635 10.555 -14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 16 25.950 10.518 -15.625 1.00 0.00 H new ATOM 0 HB3 ASP A 16 25.898 12.269 -15.582 1.00 0.00 H new ATOM 256 N THR A 17 23.456 13.677 -15.399 1.00 0.00 N ATOM 257 CA THR A 17 22.994 15.039 -15.072 1.00 0.00 C ATOM 258 C THR A 17 21.474 15.079 -14.945 1.00 0.00 C ATOM 259 O THR A 17 20.933 15.825 -14.132 1.00 0.00 O ATOM 260 CB THR A 17 23.493 16.039 -16.129 1.00 0.00 C ATOM 261 OG1 THR A 17 24.908 16.038 -16.124 1.00 0.00 O ATOM 262 CG2 THR A 17 23.054 17.479 -15.846 1.00 0.00 C ATOM 0 H THR A 17 23.701 13.563 -16.383 1.00 0.00 H new ATOM 0 HA THR A 17 23.413 15.328 -14.108 1.00 0.00 H new ATOM 0 HB THR A 17 23.069 15.724 -17.083 1.00 0.00 H new ATOM 0 HG1 THR A 17 25.238 16.671 -16.796 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.437 18.136 -16.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.965 17.531 -15.830 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.447 17.796 -14.880 1.00 0.00 H new ATOM 270 N ILE A 18 20.777 14.237 -15.709 1.00 0.00 N ATOM 271 CA ILE A 18 19.311 14.101 -15.684 1.00 0.00 C ATOM 272 C ILE A 18 18.861 13.329 -14.440 1.00 0.00 C ATOM 273 O ILE A 18 17.862 13.685 -13.824 1.00 0.00 O ATOM 274 CB ILE A 18 18.808 13.416 -16.977 1.00 0.00 C ATOM 275 CG1 ILE A 18 19.494 13.916 -18.271 1.00 0.00 C ATOM 276 CG2 ILE A 18 17.278 13.543 -17.096 1.00 0.00 C ATOM 277 CD1 ILE A 18 19.405 15.426 -18.530 1.00 0.00 C ATOM 0 H ILE A 18 21.223 13.613 -16.381 1.00 0.00 H new ATOM 0 HA ILE A 18 18.872 15.097 -15.637 1.00 0.00 H new ATOM 0 HB ILE A 18 19.087 12.367 -16.881 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.546 13.633 -18.235 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.052 13.394 -19.120 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.943 13.055 -18.011 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.805 13.067 -16.237 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.001 14.597 -17.124 1.00 0.00 H new ATOM 0 HD11 ILE A 18 19.918 15.666 -19.461 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.358 15.721 -18.606 1.00 0.00 H new ATOM 0 HD13 ILE A 18 19.875 15.965 -17.707 1.00 0.00 H new ATOM 289 N ILE A 19 19.633 12.325 -14.007 1.00 0.00 N ATOM 290 CA ILE A 19 19.381 11.584 -12.758 1.00 0.00 C ATOM 291 C ILE A 19 19.289 12.550 -11.568 1.00 0.00 C ATOM 292 O ILE A 19 18.363 12.425 -10.769 1.00 0.00 O ATOM 293 CB ILE A 19 20.448 10.474 -12.568 1.00 0.00 C ATOM 294 CG1 ILE A 19 20.262 9.373 -13.642 1.00 0.00 C ATOM 295 CG2 ILE A 19 20.376 9.854 -11.157 1.00 0.00 C ATOM 296 CD1 ILE A 19 21.434 8.390 -13.733 1.00 0.00 C ATOM 0 H ILE A 19 20.456 11.999 -14.514 1.00 0.00 H new ATOM 0 HA ILE A 19 18.416 11.081 -12.819 1.00 0.00 H new ATOM 0 HB ILE A 19 21.431 10.931 -12.682 1.00 0.00 H new ATOM 0 HG12 ILE A 19 19.350 8.817 -13.424 1.00 0.00 H new ATOM 0 HG13 ILE A 19 20.122 9.847 -14.614 1.00 0.00 H new ATOM 0 HG21 ILE A 19 21.138 9.080 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 19 20.549 10.629 -10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 19 19.391 9.414 -11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 19 21.229 7.650 -14.507 1.00 0.00 H new ATOM 0 HD12 ILE A 19 22.346 8.933 -13.983 1.00 0.00 H new ATOM 0 HD13 ILE A 19 21.562 7.887 -12.775 1.00 0.00 H new ATOM 308 N ARG A 20 20.157 13.569 -11.493 1.00 0.00 N ATOM 309 CA ARG A 20 20.124 14.573 -10.408 1.00 0.00 C ATOM 310 C ARG A 20 18.788 15.333 -10.337 1.00 0.00 C ATOM 311 O ARG A 20 18.335 15.704 -9.254 1.00 0.00 O ATOM 312 CB ARG A 20 21.256 15.609 -10.546 1.00 0.00 C ATOM 313 CG ARG A 20 22.649 15.083 -10.913 1.00 0.00 C ATOM 314 CD ARG A 20 23.153 13.918 -10.053 1.00 0.00 C ATOM 315 NE ARG A 20 24.484 13.483 -10.516 1.00 0.00 N ATOM 316 CZ ARG A 20 25.630 13.521 -9.849 1.00 0.00 C ATOM 317 NH1 ARG A 20 25.711 13.929 -8.598 1.00 0.00 N ATOM 318 NH2 ARG A 20 26.735 13.143 -10.450 1.00 0.00 N ATOM 0 H ARG A 20 20.899 13.724 -12.176 1.00 0.00 H new ATOM 0 HA ARG A 20 20.255 13.998 -9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.959 16.335 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.337 16.148 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 20 22.637 14.766 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.362 15.904 -10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.205 14.224 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.451 13.086 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 20 24.529 13.108 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.871 14.232 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.614 13.942 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 20 26.706 12.825 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 27.623 13.168 -9.948 1.00 0.00 H new ATOM 332 N LYS A 21 18.142 15.557 -11.486 1.00 0.00 N ATOM 333 CA LYS A 21 16.839 16.227 -11.601 1.00 0.00 C ATOM 334 C LYS A 21 15.681 15.289 -11.207 1.00 0.00 C ATOM 335 O LYS A 21 14.733 15.715 -10.544 1.00 0.00 O ATOM 336 CB LYS A 21 16.681 16.739 -13.046 1.00 0.00 C ATOM 337 CG LYS A 21 17.779 17.745 -13.445 1.00 0.00 C ATOM 338 CD LYS A 21 17.730 18.137 -14.928 1.00 0.00 C ATOM 339 CE LYS A 21 16.440 18.894 -15.281 1.00 0.00 C ATOM 340 NZ LYS A 21 16.453 19.405 -16.680 1.00 0.00 N ATOM 0 H LYS A 21 18.521 15.270 -12.388 1.00 0.00 H new ATOM 0 HA LYS A 21 16.801 17.067 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.704 15.892 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.705 17.211 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.679 18.643 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.755 17.315 -13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.592 18.759 -15.167 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.804 17.240 -15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.584 18.233 -15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.310 19.729 -14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.564 19.908 -16.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.254 20.057 -16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.550 18.607 -17.340 1.00 0.00 H new ATOM 354 N PHE A 22 15.790 13.997 -11.548 1.00 0.00 N ATOM 355 CA PHE A 22 14.833 12.950 -11.169 1.00 0.00 C ATOM 356 C PHE A 22 14.959 12.537 -9.691 1.00 0.00 C ATOM 357 O PHE A 22 13.960 12.145 -9.090 1.00 0.00 O ATOM 358 CB PHE A 22 14.993 11.749 -12.117 1.00 0.00 C ATOM 359 CG PHE A 22 14.208 11.872 -13.414 1.00 0.00 C ATOM 360 CD1 PHE A 22 14.554 12.840 -14.377 1.00 0.00 C ATOM 361 CD2 PHE A 22 13.110 11.021 -13.656 1.00 0.00 C ATOM 362 CE1 PHE A 22 13.816 12.955 -15.569 1.00 0.00 C ATOM 363 CE2 PHE A 22 12.373 11.134 -14.850 1.00 0.00 C ATOM 364 CZ PHE A 22 12.725 12.101 -15.806 1.00 0.00 C ATOM 0 H PHE A 22 16.565 13.643 -12.109 1.00 0.00 H new ATOM 0 HA PHE A 22 13.826 13.354 -11.272 1.00 0.00 H new ATOM 0 HB2 PHE A 22 16.050 11.626 -12.355 1.00 0.00 H new ATOM 0 HB3 PHE A 22 14.676 10.845 -11.597 1.00 0.00 H new ATOM 0 HD1 PHE A 22 15.391 13.498 -14.199 1.00 0.00 H new ATOM 0 HD2 PHE A 22 12.833 10.279 -12.922 1.00 0.00 H new ATOM 0 HE1 PHE A 22 14.088 13.700 -16.302 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.536 10.476 -15.031 1.00 0.00 H new ATOM 0 HZ PHE A 22 12.159 12.188 -16.721 1.00 0.00 H new ATOM 374 N GLU A 23 16.136 12.701 -9.069 1.00 0.00 N ATOM 375 CA GLU A 23 16.332 12.478 -7.624 1.00 0.00 C ATOM 376 C GLU A 23 15.461 13.395 -6.738 1.00 0.00 C ATOM 377 O GLU A 23 15.194 13.065 -5.581 1.00 0.00 O ATOM 378 CB GLU A 23 17.814 12.642 -7.236 1.00 0.00 C ATOM 379 CG GLU A 23 18.640 11.392 -7.546 1.00 0.00 C ATOM 380 CD GLU A 23 20.043 11.488 -6.926 1.00 0.00 C ATOM 381 OE1 GLU A 23 20.938 12.141 -7.515 1.00 0.00 O ATOM 382 OE2 GLU A 23 20.264 10.908 -5.835 1.00 0.00 O ATOM 0 H GLU A 23 16.984 12.993 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 23 16.013 11.452 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 23 18.235 13.494 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.885 12.867 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.129 10.510 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.724 11.266 -8.625 1.00 0.00 H new ATOM 389 N GLY A 24 14.965 14.514 -7.284 1.00 0.00 N ATOM 390 CA GLY A 24 14.012 15.417 -6.620 1.00 0.00 C ATOM 391 C GLY A 24 12.572 14.885 -6.551 1.00 0.00 C ATOM 392 O GLY A 24 11.751 15.455 -5.833 1.00 0.00 O ATOM 0 H GLY A 24 15.221 14.824 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.362 15.613 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.008 16.372 -7.146 1.00 0.00 H new ATOM 396 N GLN A 25 12.254 13.792 -7.255 1.00 0.00 N ATOM 397 CA GLN A 25 10.936 13.142 -7.284 1.00 0.00 C ATOM 398 C GLN A 25 10.886 11.969 -6.274 1.00 0.00 C ATOM 399 O GLN A 25 10.447 10.863 -6.582 1.00 0.00 O ATOM 400 CB GLN A 25 10.631 12.733 -8.742 1.00 0.00 C ATOM 401 CG GLN A 25 9.136 12.471 -9.008 1.00 0.00 C ATOM 402 CD GLN A 25 8.833 12.050 -10.453 1.00 0.00 C ATOM 403 OE1 GLN A 25 9.649 12.142 -11.365 1.00 0.00 O ATOM 404 NE2 GLN A 25 7.634 11.573 -10.726 1.00 0.00 N ATOM 0 H GLN A 25 12.936 13.316 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 25 10.150 13.826 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.978 13.520 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.198 11.834 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.786 11.692 -8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.571 13.373 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.938 11.487 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.402 11.290 -11.678 1.00 0.00 H new ATOM 413 N SER A 26 11.373 12.190 -5.049 1.00 0.00 N ATOM 414 CA SER A 26 11.569 11.153 -4.017 1.00 0.00 C ATOM 415 C SER A 26 10.287 10.897 -3.193 1.00 0.00 C ATOM 416 O SER A 26 10.293 10.833 -1.957 1.00 0.00 O ATOM 417 CB SER A 26 12.793 11.505 -3.154 1.00 0.00 C ATOM 418 OG SER A 26 13.311 10.354 -2.495 1.00 0.00 O ATOM 0 H SER A 26 11.651 13.119 -4.734 1.00 0.00 H new ATOM 0 HA SER A 26 11.776 10.202 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 26 13.567 11.947 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.515 12.256 -2.414 1.00 0.00 H new ATOM 0 HG SER A 26 14.089 10.608 -1.956 1.00 0.00 H new ATOM 424 N ARG A 27 9.148 10.792 -3.894 1.00 0.00 N ATOM 425 CA ARG A 27 7.837 10.479 -3.310 1.00 0.00 C ATOM 426 C ARG A 27 7.783 9.027 -2.809 1.00 0.00 C ATOM 427 O ARG A 27 8.606 8.182 -3.161 1.00 0.00 O ATOM 428 CB ARG A 27 6.693 10.768 -4.302 1.00 0.00 C ATOM 429 CG ARG A 27 6.768 12.119 -5.041 1.00 0.00 C ATOM 430 CD ARG A 27 6.845 13.361 -4.139 1.00 0.00 C ATOM 431 NE ARG A 27 5.567 13.638 -3.455 1.00 0.00 N ATOM 432 CZ ARG A 27 5.333 14.643 -2.615 1.00 0.00 C ATOM 433 NH1 ARG A 27 6.285 15.468 -2.229 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.122 14.838 -2.147 1.00 0.00 N ATOM 0 H ARG A 27 9.113 10.925 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 27 7.698 11.134 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.672 9.970 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.748 10.724 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.642 12.109 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.892 12.211 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.629 13.219 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.128 14.226 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 27 4.793 13.001 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.237 15.347 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.070 16.228 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.361 14.219 -2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.942 15.608 -1.503 1.00 0.00 H new ATOM 448 N LYS A 28 6.796 8.719 -1.969 1.00 0.00 N ATOM 449 CA LYS A 28 6.719 7.439 -1.252 1.00 0.00 C ATOM 450 C LYS A 28 5.881 6.418 -2.039 1.00 0.00 C ATOM 451 O LYS A 28 4.713 6.664 -2.328 1.00 0.00 O ATOM 452 CB LYS A 28 6.156 7.682 0.164 1.00 0.00 C ATOM 453 CG LYS A 28 6.897 8.791 0.939 1.00 0.00 C ATOM 454 CD LYS A 28 6.009 10.033 1.151 1.00 0.00 C ATOM 455 CE LYS A 28 6.888 11.213 1.597 1.00 0.00 C ATOM 456 NZ LYS A 28 6.135 12.496 1.709 1.00 0.00 N ATOM 0 H LYS A 28 6.022 9.351 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 28 7.718 7.014 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.101 7.946 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.211 6.754 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.219 8.405 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.797 9.076 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.486 10.282 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.248 9.826 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.339 10.978 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.704 11.339 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.781 13.252 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.726 12.740 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.372 12.391 2.408 1.00 0.00 H new ATOM 470 N PHE A 29 6.461 5.259 -2.354 1.00 0.00 N ATOM 471 CA PHE A 29 5.783 4.161 -3.047 1.00 0.00 C ATOM 472 C PHE A 29 6.477 2.809 -2.854 1.00 0.00 C ATOM 473 O PHE A 29 7.648 2.733 -2.478 1.00 0.00 O ATOM 474 CB PHE A 29 5.628 4.493 -4.545 1.00 0.00 C ATOM 475 CG PHE A 29 6.937 4.634 -5.304 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.569 3.496 -5.846 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.532 5.901 -5.457 1.00 0.00 C ATOM 478 CE1 PHE A 29 8.796 3.624 -6.521 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.756 6.028 -6.136 1.00 0.00 C ATOM 480 CZ PHE A 29 9.391 4.890 -6.665 1.00 0.00 C ATOM 0 H PHE A 29 7.435 5.053 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 29 4.796 4.061 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.033 3.711 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.066 5.422 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.110 2.524 -5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.047 6.777 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.282 2.750 -6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.210 7.001 -6.252 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.335 4.988 -7.181 1.00 0.00 H new ATOM 490 N ILE A 30 5.742 1.743 -3.168 1.00 0.00 N ATOM 491 CA ILE A 30 6.199 0.345 -3.205 1.00 0.00 C ATOM 492 C ILE A 30 5.566 -0.383 -4.399 1.00 0.00 C ATOM 493 O ILE A 30 4.512 0.025 -4.877 1.00 0.00 O ATOM 494 CB ILE A 30 5.872 -0.370 -1.870 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.359 -0.370 -1.564 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.633 0.262 -0.698 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.999 -1.104 -0.272 1.00 0.00 C ATOM 0 H ILE A 30 4.757 1.831 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 30 7.282 0.328 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 30 6.195 -1.404 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.010 0.660 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.828 -0.833 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.382 -0.262 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.705 0.187 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.353 1.312 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.920 -1.064 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.317 -2.144 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.502 -0.628 0.569 1.00 0.00 H new ATOM 509 N ILE A 31 6.193 -1.456 -4.882 1.00 0.00 N ATOM 510 CA ILE A 31 5.735 -2.272 -6.017 1.00 0.00 C ATOM 511 C ILE A 31 5.471 -3.694 -5.532 1.00 0.00 C ATOM 512 O ILE A 31 6.326 -4.296 -4.879 1.00 0.00 O ATOM 513 CB ILE A 31 6.784 -2.305 -7.154 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.364 -0.896 -7.437 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.158 -2.949 -8.414 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.358 -0.828 -8.599 1.00 0.00 C ATOM 0 H ILE A 31 7.067 -1.797 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 31 4.823 -1.826 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 31 7.629 -2.919 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.539 -0.215 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.857 -0.535 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.896 -2.973 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.840 -3.966 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.296 -2.363 -8.732 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.708 0.197 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.207 -1.479 -8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.868 -1.154 -9.516 1.00 0.00 H new ATOM 528 N ALA A 32 4.328 -4.257 -5.904 1.00 0.00 N ATOM 529 CA ALA A 32 3.936 -5.621 -5.575 1.00 0.00 C ATOM 530 C ALA A 32 3.451 -6.385 -6.808 1.00 0.00 C ATOM 531 O ALA A 32 2.868 -5.813 -7.730 1.00 0.00 O ATOM 532 CB ALA A 32 2.870 -5.535 -4.490 1.00 0.00 C ATOM 0 H ALA A 32 3.629 -3.763 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 32 4.793 -6.186 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.549 -6.540 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.282 -5.033 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.016 -4.971 -4.863 1.00 0.00 H new ATOM 538 N ASN A 33 3.682 -7.697 -6.813 1.00 0.00 N ATOM 539 CA ASN A 33 3.262 -8.590 -7.882 1.00 0.00 C ATOM 540 C ASN A 33 1.733 -8.782 -7.874 1.00 0.00 C ATOM 541 O ASN A 33 1.160 -9.191 -6.864 1.00 0.00 O ATOM 542 CB ASN A 33 4.033 -9.892 -7.650 1.00 0.00 C ATOM 543 CG ASN A 33 3.794 -10.969 -8.690 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.115 -10.787 -9.691 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.365 -12.126 -8.440 1.00 0.00 N ATOM 0 H ASN A 33 4.176 -8.174 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 33 3.484 -8.189 -8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.099 -9.666 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.764 -10.287 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.248 -12.904 -9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.925 -12.246 -7.596 1.00 0.00 H new ATOM 552 N ALA A 34 1.061 -8.522 -9.001 1.00 0.00 N ATOM 553 CA ALA A 34 -0.385 -8.750 -9.146 1.00 0.00 C ATOM 554 C ALA A 34 -0.743 -10.243 -9.301 1.00 0.00 C ATOM 555 O ALA A 34 -1.824 -10.670 -8.896 1.00 0.00 O ATOM 556 CB ALA A 34 -0.895 -7.932 -10.342 1.00 0.00 C ATOM 0 H ALA A 34 1.503 -8.147 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.877 -8.421 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.967 -8.092 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.703 -6.873 -10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.378 -8.250 -11.247 1.00 0.00 H new ATOM 562 N ARG A 35 0.176 -11.068 -9.825 1.00 0.00 N ATOM 563 CA ARG A 35 -0.042 -12.475 -10.225 1.00 0.00 C ATOM 564 C ARG A 35 -0.105 -13.476 -9.043 1.00 0.00 C ATOM 565 O ARG A 35 0.190 -14.660 -9.212 1.00 0.00 O ATOM 566 CB ARG A 35 1.028 -12.879 -11.258 1.00 0.00 C ATOM 567 CG ARG A 35 0.966 -12.015 -12.530 1.00 0.00 C ATOM 568 CD ARG A 35 2.157 -12.288 -13.449 1.00 0.00 C ATOM 569 NE ARG A 35 2.172 -13.671 -13.962 1.00 0.00 N ATOM 570 CZ ARG A 35 3.230 -14.331 -14.426 1.00 0.00 C ATOM 571 NH1 ARG A 35 4.427 -13.783 -14.494 1.00 0.00 N ATOM 572 NH2 ARG A 35 3.094 -15.573 -14.837 1.00 0.00 N ATOM 0 H ARG A 35 1.135 -10.764 -9.991 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.034 -12.529 -10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.017 -12.789 -10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.894 -13.927 -11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.038 -12.218 -13.065 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.951 -10.960 -12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.130 -11.593 -14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.082 -12.096 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 35 1.283 -14.171 -13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.566 -12.821 -14.185 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.214 -14.321 -14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.181 -16.026 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.902 -16.084 -15.194 1.00 0.00 H new ATOM 586 N VAL A 36 -0.442 -13.009 -7.836 1.00 0.00 N ATOM 587 CA VAL A 36 -0.401 -13.752 -6.555 1.00 0.00 C ATOM 588 C VAL A 36 -1.481 -13.233 -5.596 1.00 0.00 C ATOM 589 O VAL A 36 -1.820 -12.051 -5.628 1.00 0.00 O ATOM 590 CB VAL A 36 0.990 -13.700 -5.864 1.00 0.00 C ATOM 591 CG1 VAL A 36 2.045 -14.544 -6.594 1.00 0.00 C ATOM 592 CG2 VAL A 36 1.530 -12.272 -5.682 1.00 0.00 C ATOM 0 H VAL A 36 -0.770 -12.051 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.597 -14.796 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 36 0.814 -14.126 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.997 -14.471 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.724 -15.585 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.164 -14.176 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.504 -12.311 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.632 -11.794 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.838 -11.697 -5.067 1.00 0.00 H new ATOM 602 N GLU A 37 -2.015 -14.116 -4.743 1.00 0.00 N ATOM 603 CA GLU A 37 -3.203 -13.856 -3.910 1.00 0.00 C ATOM 604 C GLU A 37 -2.990 -12.728 -2.881 1.00 0.00 C ATOM 605 O GLU A 37 -3.868 -11.888 -2.677 1.00 0.00 O ATOM 606 CB GLU A 37 -3.581 -15.167 -3.196 1.00 0.00 C ATOM 607 CG GLU A 37 -4.957 -15.151 -2.515 1.00 0.00 C ATOM 608 CD GLU A 37 -6.108 -15.083 -3.532 1.00 0.00 C ATOM 609 OE1 GLU A 37 -6.372 -16.094 -4.224 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.775 -14.024 -3.638 1.00 0.00 O ATOM 0 H GLU A 37 -1.628 -15.050 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.007 -13.515 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.559 -15.980 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.822 -15.389 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.068 -16.046 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.018 -14.295 -1.843 1.00 0.00 H new ATOM 617 N ASN A 38 -1.814 -12.689 -2.242 1.00 0.00 N ATOM 618 CA ASN A 38 -1.496 -11.734 -1.170 1.00 0.00 C ATOM 619 C ASN A 38 -1.018 -10.358 -1.682 1.00 0.00 C ATOM 620 O ASN A 38 -0.894 -9.429 -0.884 1.00 0.00 O ATOM 621 CB ASN A 38 -0.426 -12.363 -0.257 1.00 0.00 C ATOM 622 CG ASN A 38 -0.916 -13.636 0.435 1.00 0.00 C ATOM 623 OD1 ASN A 38 -1.943 -13.651 1.105 1.00 0.00 O ATOM 624 ND2 ASN A 38 -0.200 -14.738 0.290 1.00 0.00 N ATOM 0 H ASN A 38 -1.047 -13.326 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.418 -11.539 -0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.460 -12.594 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.125 -11.636 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.501 -15.604 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.654 -14.722 -0.268 1.00 0.00 H new ATOM 631 N CYS A 39 -0.689 -10.233 -2.978 1.00 0.00 N ATOM 632 CA CYS A 39 0.021 -9.085 -3.571 1.00 0.00 C ATOM 633 C CYS A 39 1.283 -8.722 -2.762 1.00 0.00 C ATOM 634 O CYS A 39 1.360 -7.663 -2.143 1.00 0.00 O ATOM 635 CB CYS A 39 -0.955 -7.908 -3.772 1.00 0.00 C ATOM 636 SG CYS A 39 -2.185 -8.353 -5.034 1.00 0.00 S ATOM 0 H CYS A 39 -0.917 -10.951 -3.665 1.00 0.00 H new ATOM 0 HA CYS A 39 0.389 -9.358 -4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.452 -7.669 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.409 -7.016 -4.079 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.010 -7.363 -5.204 1.00 0.00 H new ATOM 642 N ALA A 40 2.258 -9.636 -2.719 1.00 0.00 N ATOM 643 CA ALA A 40 3.496 -9.466 -1.952 1.00 0.00 C ATOM 644 C ALA A 40 4.382 -8.339 -2.525 1.00 0.00 C ATOM 645 O ALA A 40 4.571 -8.274 -3.742 1.00 0.00 O ATOM 646 CB ALA A 40 4.236 -10.812 -1.913 1.00 0.00 C ATOM 0 H ALA A 40 2.209 -10.523 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 40 3.249 -9.160 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.160 -10.703 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.604 -11.561 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.470 -11.128 -2.930 1.00 0.00 H new ATOM 652 N VAL A 41 4.949 -7.480 -1.663 1.00 0.00 N ATOM 653 CA VAL A 41 5.901 -6.422 -2.088 1.00 0.00 C ATOM 654 C VAL A 41 7.161 -7.063 -2.679 1.00 0.00 C ATOM 655 O VAL A 41 7.830 -7.854 -2.013 1.00 0.00 O ATOM 656 CB VAL A 41 6.304 -5.424 -0.967 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.091 -4.238 -1.533 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.064 -4.859 -0.256 1.00 0.00 C ATOM 0 H VAL A 41 4.768 -7.492 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 41 5.370 -5.834 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 41 6.922 -5.983 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.358 -3.559 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.998 -4.601 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.478 -3.709 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.377 -4.164 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.437 -4.336 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.498 -5.676 0.192 1.00 0.00 H new ATOM 668 N ILE A 42 7.482 -6.692 -3.922 1.00 0.00 N ATOM 669 CA ILE A 42 8.693 -7.116 -4.653 1.00 0.00 C ATOM 670 C ILE A 42 9.760 -6.019 -4.708 1.00 0.00 C ATOM 671 O ILE A 42 10.940 -6.324 -4.888 1.00 0.00 O ATOM 672 CB ILE A 42 8.349 -7.590 -6.087 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.622 -6.519 -6.935 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.540 -8.892 -6.011 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.434 -6.901 -8.406 1.00 0.00 C ATOM 0 H ILE A 42 6.890 -6.068 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 42 9.108 -7.954 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 42 9.290 -7.772 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.644 -6.326 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.185 -5.587 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.296 -9.228 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.129 -9.657 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.619 -8.716 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.917 -6.096 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.408 -7.065 -8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.843 -7.815 -8.472 1.00 0.00 H new ATOM 687 N TYR A 43 9.362 -4.755 -4.530 1.00 0.00 N ATOM 688 CA TYR A 43 10.264 -3.604 -4.514 1.00 0.00 C ATOM 689 C TYR A 43 9.711 -2.478 -3.633 1.00 0.00 C ATOM 690 O TYR A 43 8.506 -2.251 -3.580 1.00 0.00 O ATOM 691 CB TYR A 43 10.494 -3.113 -5.952 1.00 0.00 C ATOM 692 CG TYR A 43 11.747 -2.274 -6.107 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.993 -2.902 -6.287 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.674 -0.868 -6.026 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.167 -2.132 -6.392 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.845 -0.093 -6.122 1.00 0.00 C ATOM 697 CZ TYR A 43 14.096 -0.722 -6.309 1.00 0.00 C ATOM 698 OH TYR A 43 15.229 0.031 -6.395 1.00 0.00 O ATOM 0 H TYR A 43 8.384 -4.501 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 43 11.218 -3.912 -4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.558 -3.975 -6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.632 -2.528 -6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.049 -3.979 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.718 -0.385 -5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.121 -2.618 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.787 0.983 -6.053 1.00 0.00 H new ATOM 0 HH TYR A 43 14.997 0.980 -6.320 1.00 0.00 H new ATOM 708 N CYS A 44 10.583 -1.752 -2.942 1.00 0.00 N ATOM 709 CA CYS A 44 10.215 -0.671 -2.016 1.00 0.00 C ATOM 710 C CYS A 44 11.113 0.564 -2.219 1.00 0.00 C ATOM 711 O CYS A 44 12.314 0.380 -2.418 1.00 0.00 O ATOM 712 CB CYS A 44 10.292 -1.186 -0.557 1.00 0.00 C ATOM 713 SG CYS A 44 10.107 -2.985 -0.351 1.00 0.00 S ATOM 0 H CYS A 44 11.591 -1.897 -3.007 1.00 0.00 H new ATOM 0 HA CYS A 44 9.191 -0.362 -2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.251 -0.886 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.517 -0.689 0.027 1.00 0.00 H new ATOM 0 HG CYS A 44 10.192 -3.288 0.910 1.00 0.00 H new ATOM 719 N ASN A 45 10.585 1.794 -2.152 1.00 0.00 N ATOM 720 CA ASN A 45 11.437 3.000 -2.274 1.00 0.00 C ATOM 721 C ASN A 45 12.190 3.328 -0.957 1.00 0.00 C ATOM 722 O ASN A 45 12.085 2.607 0.033 1.00 0.00 O ATOM 723 CB ASN A 45 10.605 4.190 -2.809 1.00 0.00 C ATOM 724 CG ASN A 45 11.453 5.310 -3.424 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.630 5.145 -3.721 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.918 6.504 -3.588 1.00 0.00 N ATOM 0 H ASN A 45 9.592 1.986 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 45 12.220 2.793 -3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.904 3.823 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.011 4.602 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.483 7.270 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.940 6.662 -3.347 1.00 0.00 H new ATOM 733 N ASP A 46 12.918 4.445 -0.906 1.00 0.00 N ATOM 734 CA ASP A 46 13.547 4.967 0.317 1.00 0.00 C ATOM 735 C ASP A 46 12.625 5.943 1.066 1.00 0.00 C ATOM 736 O ASP A 46 12.709 6.056 2.289 1.00 0.00 O ATOM 737 CB ASP A 46 14.866 5.665 -0.041 1.00 0.00 C ATOM 738 CG ASP A 46 15.933 4.680 -0.551 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.534 3.960 0.283 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.188 4.646 -1.779 1.00 0.00 O ATOM 0 H ASP A 46 13.092 5.026 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 46 13.740 4.123 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.678 6.420 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.247 6.187 0.837 1.00 0.00 H new ATOM 745 N GLY A 47 11.713 6.623 0.352 1.00 0.00 N ATOM 746 CA GLY A 47 10.865 7.669 0.924 1.00 0.00 C ATOM 747 C GLY A 47 9.808 7.104 1.867 1.00 0.00 C ATOM 748 O GLY A 47 9.572 7.652 2.942 1.00 0.00 O ATOM 0 H GLY A 47 11.546 6.458 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.487 8.383 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.375 8.218 0.119 1.00 0.00 H new ATOM 752 N PHE A 48 9.191 5.978 1.479 1.00 0.00 N ATOM 753 CA PHE A 48 8.143 5.323 2.270 1.00 0.00 C ATOM 754 C PHE A 48 8.695 4.692 3.568 1.00 0.00 C ATOM 755 O PHE A 48 7.976 4.642 4.561 1.00 0.00 O ATOM 756 CB PHE A 48 7.368 4.316 1.392 1.00 0.00 C ATOM 757 CG PHE A 48 7.821 2.895 1.556 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.092 2.501 1.118 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.027 2.021 2.309 1.00 0.00 C ATOM 760 CE1 PHE A 48 9.601 1.258 1.516 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.525 0.772 2.678 1.00 0.00 C ATOM 762 CZ PHE A 48 8.826 0.396 2.307 1.00 0.00 C ATOM 0 H PHE A 48 9.406 5.496 0.606 1.00 0.00 H new ATOM 0 HA PHE A 48 7.437 6.084 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.307 4.379 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.475 4.603 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.674 3.149 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.030 2.314 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.594 0.962 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.910 0.093 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.229 -0.553 2.629 1.00 0.00 H new ATOM 772 N CYS A 49 9.971 4.269 3.597 1.00 0.00 N ATOM 773 CA CYS A 49 10.629 3.710 4.787 1.00 0.00 C ATOM 774 C CYS A 49 10.512 4.662 5.990 1.00 0.00 C ATOM 775 O CYS A 49 10.018 4.274 7.047 1.00 0.00 O ATOM 776 CB CYS A 49 12.106 3.405 4.466 1.00 0.00 C ATOM 777 SG CYS A 49 12.282 2.002 3.323 1.00 0.00 S ATOM 0 H CYS A 49 10.582 4.307 2.781 1.00 0.00 H new ATOM 0 HA CYS A 49 10.126 2.782 5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.571 4.289 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.640 3.188 5.391 1.00 0.00 H new ATOM 0 HG CYS A 49 11.302 2.013 2.469 1.00 0.00 H new ATOM 783 N GLU A 50 10.892 5.929 5.797 1.00 0.00 N ATOM 784 CA GLU A 50 10.846 6.971 6.834 1.00 0.00 C ATOM 785 C GLU A 50 9.416 7.418 7.196 1.00 0.00 C ATOM 786 O GLU A 50 9.200 7.983 8.272 1.00 0.00 O ATOM 787 CB GLU A 50 11.663 8.190 6.378 1.00 0.00 C ATOM 788 CG GLU A 50 13.143 7.854 6.163 1.00 0.00 C ATOM 789 CD GLU A 50 13.969 9.134 5.967 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.028 9.659 4.830 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.570 9.627 6.952 1.00 0.00 O ATOM 0 H GLU A 50 11.246 6.267 4.902 1.00 0.00 H new ATOM 0 HA GLU A 50 11.274 6.531 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.243 8.579 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.577 8.981 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.523 7.298 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.251 7.209 5.291 1.00 0.00 H new ATOM 798 N LEU A 51 8.435 7.162 6.318 1.00 0.00 N ATOM 799 CA LEU A 51 7.025 7.536 6.497 1.00 0.00 C ATOM 800 C LEU A 51 6.399 6.837 7.717 1.00 0.00 C ATOM 801 O LEU A 51 5.754 7.486 8.541 1.00 0.00 O ATOM 802 CB LEU A 51 6.272 7.199 5.191 1.00 0.00 C ATOM 803 CG LEU A 51 4.921 7.905 4.999 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.110 9.416 4.855 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.229 7.343 3.752 1.00 0.00 C ATOM 0 H LEU A 51 8.606 6.675 5.438 1.00 0.00 H new ATOM 0 HA LEU A 51 6.950 8.605 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.915 7.450 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.106 6.122 5.156 1.00 0.00 H new ATOM 0 HG LEU A 51 4.302 7.723 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.139 9.893 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.587 9.810 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.739 9.623 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.270 7.842 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.858 7.515 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.067 6.272 3.877 1.00 0.00 H new ATOM 817 N CYS A 52 6.631 5.523 7.846 1.00 0.00 N ATOM 818 CA CYS A 52 6.262 4.731 9.030 1.00 0.00 C ATOM 819 C CYS A 52 7.421 4.570 10.033 1.00 0.00 C ATOM 820 O CYS A 52 7.183 4.518 11.239 1.00 0.00 O ATOM 821 CB CYS A 52 5.753 3.367 8.539 1.00 0.00 C ATOM 822 SG CYS A 52 5.149 2.389 9.945 1.00 0.00 S ATOM 0 H CYS A 52 7.087 4.971 7.120 1.00 0.00 H new ATOM 0 HA CYS A 52 5.482 5.258 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.953 3.508 7.813 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.555 2.832 8.030 1.00 0.00 H new ATOM 0 HG CYS A 52 4.075 2.940 10.428 1.00 0.00 H new ATOM 828 N GLY A 53 8.669 4.491 9.558 1.00 0.00 N ATOM 829 CA GLY A 53 9.860 4.205 10.373 1.00 0.00 C ATOM 830 C GLY A 53 10.341 2.751 10.290 1.00 0.00 C ATOM 831 O GLY A 53 11.239 2.373 11.042 1.00 0.00 O ATOM 0 H GLY A 53 8.887 4.627 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.670 4.863 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.641 4.445 11.413 1.00 0.00 H new ATOM 835 N TYR A 54 9.765 1.931 9.401 1.00 0.00 N ATOM 836 CA TYR A 54 10.281 0.603 9.046 1.00 0.00 C ATOM 837 C TYR A 54 11.365 0.668 7.943 1.00 0.00 C ATOM 838 O TYR A 54 11.976 1.712 7.711 1.00 0.00 O ATOM 839 CB TYR A 54 9.090 -0.328 8.732 1.00 0.00 C ATOM 840 CG TYR A 54 8.053 0.126 7.714 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.338 1.083 6.718 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.764 -0.433 7.782 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.324 1.527 5.849 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.753 -0.013 6.897 1.00 0.00 C ATOM 845 CZ TYR A 54 6.022 0.990 5.945 1.00 0.00 C ATOM 846 OH TYR A 54 5.022 1.437 5.136 1.00 0.00 O ATOM 0 H TYR A 54 8.912 2.177 8.899 1.00 0.00 H new ATOM 0 HA TYR A 54 10.812 0.171 9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.496 -1.279 8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.569 -0.525 9.669 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.339 1.477 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.548 -1.191 8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.542 2.280 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.771 -0.460 6.948 1.00 0.00 H new ATOM 0 HH TYR A 54 5.374 1.589 4.234 1.00 0.00 H new ATOM 856 N SER A 55 11.597 -0.433 7.225 1.00 0.00 N ATOM 857 CA SER A 55 12.541 -0.505 6.104 1.00 0.00 C ATOM 858 C SER A 55 12.181 -1.639 5.132 1.00 0.00 C ATOM 859 O SER A 55 11.354 -2.508 5.446 1.00 0.00 O ATOM 860 CB SER A 55 13.976 -0.670 6.637 1.00 0.00 C ATOM 861 OG SER A 55 14.936 -0.470 5.607 1.00 0.00 O ATOM 0 H SER A 55 11.125 -1.318 7.409 1.00 0.00 H new ATOM 0 HA SER A 55 12.477 0.428 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.151 0.042 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.096 -1.667 7.061 1.00 0.00 H new ATOM 0 HG SER A 55 15.838 -0.579 5.975 1.00 0.00 H new ATOM 867 N ARG A 56 12.850 -1.670 3.974 1.00 0.00 N ATOM 868 CA ARG A 56 12.713 -2.713 2.946 1.00 0.00 C ATOM 869 C ARG A 56 12.776 -4.117 3.560 1.00 0.00 C ATOM 870 O ARG A 56 11.880 -4.912 3.319 1.00 0.00 O ATOM 871 CB ARG A 56 13.770 -2.503 1.839 1.00 0.00 C ATOM 872 CG ARG A 56 13.727 -3.621 0.778 1.00 0.00 C ATOM 873 CD ARG A 56 14.726 -3.449 -0.368 1.00 0.00 C ATOM 874 NE ARG A 56 14.326 -2.389 -1.313 1.00 0.00 N ATOM 875 CZ ARG A 56 15.127 -1.875 -2.249 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.335 -2.350 -2.474 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.733 -0.865 -2.990 1.00 0.00 N ATOM 0 H ARG A 56 13.523 -0.948 3.716 1.00 0.00 H new ATOM 0 HA ARG A 56 11.729 -2.628 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.603 -1.540 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.763 -2.467 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.916 -4.576 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.721 -3.670 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.708 -3.213 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.823 -4.392 -0.905 1.00 0.00 H new ATOM 0 HE ARG A 56 13.375 -2.025 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.685 -3.135 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.920 -1.933 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.805 -0.464 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.355 -0.482 -3.702 1.00 0.00 H new ATOM 891 N ALA A 57 13.745 -4.418 4.427 1.00 0.00 N ATOM 892 CA ALA A 57 13.875 -5.739 5.065 1.00 0.00 C ATOM 893 C ALA A 57 12.644 -6.172 5.897 1.00 0.00 C ATOM 894 O ALA A 57 12.388 -7.370 6.023 1.00 0.00 O ATOM 895 CB ALA A 57 15.153 -5.727 5.914 1.00 0.00 C ATOM 0 H ALA A 57 14.466 -3.754 4.710 1.00 0.00 H new ATOM 0 HA ALA A 57 13.936 -6.489 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.276 -6.695 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.013 -5.530 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.079 -4.947 6.672 1.00 0.00 H new ATOM 901 N GLU A 58 11.866 -5.218 6.427 1.00 0.00 N ATOM 902 CA GLU A 58 10.607 -5.481 7.147 1.00 0.00 C ATOM 903 C GLU A 58 9.390 -5.505 6.212 1.00 0.00 C ATOM 904 O GLU A 58 8.460 -6.279 6.442 1.00 0.00 O ATOM 905 CB GLU A 58 10.364 -4.404 8.214 1.00 0.00 C ATOM 906 CG GLU A 58 11.526 -4.296 9.198 1.00 0.00 C ATOM 907 CD GLU A 58 11.199 -3.319 10.335 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.477 -3.695 11.289 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.643 -2.151 10.275 1.00 0.00 O ATOM 0 H GLU A 58 12.095 -4.226 6.368 1.00 0.00 H new ATOM 0 HA GLU A 58 10.717 -6.464 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.211 -3.441 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.449 -4.635 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.748 -5.279 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.421 -3.962 8.673 1.00 0.00 H new ATOM 916 N VAL A 59 9.387 -4.647 5.183 1.00 0.00 N ATOM 917 CA VAL A 59 8.275 -4.475 4.229 1.00 0.00 C ATOM 918 C VAL A 59 8.333 -5.512 3.081 1.00 0.00 C ATOM 919 O VAL A 59 7.320 -5.774 2.433 1.00 0.00 O ATOM 920 CB VAL A 59 8.211 -2.999 3.739 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.145 -2.818 2.640 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.902 -2.093 4.946 1.00 0.00 C ATOM 0 H VAL A 59 10.178 -4.035 4.983 1.00 0.00 H new ATOM 0 HA VAL A 59 7.335 -4.678 4.742 1.00 0.00 H new ATOM 0 HB VAL A 59 9.172 -2.725 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.126 -1.776 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.388 -3.455 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.167 -3.095 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.854 -1.054 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.945 -2.381 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.688 -2.202 5.693 1.00 0.00 H new ATOM 932 N MET A 60 9.475 -6.175 2.856 1.00 0.00 N ATOM 933 CA MET A 60 9.592 -7.277 1.887 1.00 0.00 C ATOM 934 C MET A 60 8.787 -8.493 2.359 1.00 0.00 C ATOM 935 O MET A 60 8.755 -8.800 3.551 1.00 0.00 O ATOM 936 CB MET A 60 11.059 -7.675 1.639 1.00 0.00 C ATOM 937 CG MET A 60 11.742 -6.738 0.635 1.00 0.00 C ATOM 938 SD MET A 60 13.313 -7.331 -0.054 1.00 0.00 S ATOM 939 CE MET A 60 14.286 -7.591 1.451 1.00 0.00 C ATOM 0 H MET A 60 10.347 -5.963 3.341 1.00 0.00 H new ATOM 0 HA MET A 60 9.183 -6.921 0.941 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.605 -7.657 2.582 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.100 -8.699 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.052 -6.553 -0.189 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.919 -5.780 1.123 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.289 -7.922 1.183 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.349 -6.657 2.009 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.806 -8.351 2.068 1.00 0.00 H new ATOM 949 N GLN A 61 8.124 -9.167 1.409 1.00 0.00 N ATOM 950 CA GLN A 61 7.264 -10.346 1.634 1.00 0.00 C ATOM 951 C GLN A 61 5.968 -10.040 2.417 1.00 0.00 C ATOM 952 O GLN A 61 5.224 -10.954 2.777 1.00 0.00 O ATOM 953 CB GLN A 61 8.071 -11.513 2.236 1.00 0.00 C ATOM 954 CG GLN A 61 9.270 -11.898 1.347 1.00 0.00 C ATOM 955 CD GLN A 61 9.659 -13.364 1.529 1.00 0.00 C ATOM 956 OE1 GLN A 61 10.610 -13.713 2.220 1.00 0.00 O ATOM 957 NE2 GLN A 61 8.919 -14.277 0.929 1.00 0.00 N ATOM 0 H GLN A 61 8.171 -8.900 0.426 1.00 0.00 H new ATOM 0 HA GLN A 61 6.912 -10.662 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.428 -11.235 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.420 -12.378 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.022 -11.714 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.122 -11.262 1.589 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.127 -13.993 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.139 -15.267 1.041 1.00 0.00 H new ATOM 966 N ARG A 62 5.661 -8.754 2.630 1.00 0.00 N ATOM 967 CA ARG A 62 4.380 -8.280 3.179 1.00 0.00 C ATOM 968 C ARG A 62 3.333 -8.161 2.067 1.00 0.00 C ATOM 969 O ARG A 62 3.719 -7.910 0.918 1.00 0.00 O ATOM 970 CB ARG A 62 4.535 -6.897 3.841 1.00 0.00 C ATOM 971 CG ARG A 62 5.476 -6.867 5.047 1.00 0.00 C ATOM 972 CD ARG A 62 4.991 -7.669 6.256 1.00 0.00 C ATOM 973 NE ARG A 62 6.024 -7.646 7.302 1.00 0.00 N ATOM 974 CZ ARG A 62 5.932 -8.138 8.530 1.00 0.00 C ATOM 975 NH1 ARG A 62 4.843 -8.740 8.969 1.00 0.00 N ATOM 976 NH2 ARG A 62 6.958 -8.030 9.344 1.00 0.00 N ATOM 0 H ARG A 62 6.310 -7.995 2.421 1.00 0.00 H new ATOM 0 HA ARG A 62 4.060 -9.008 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.900 -6.191 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.552 -6.548 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.449 -7.250 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.623 -5.830 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.062 -7.247 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.777 -8.697 5.963 1.00 0.00 H new ATOM 0 HE ARG A 62 6.909 -7.203 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.033 -8.840 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.811 -9.106 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.813 -7.572 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.899 -8.404 10.291 1.00 0.00 H new ATOM 990 N PRO A 63 2.030 -8.244 2.395 1.00 0.00 N ATOM 991 CA PRO A 63 0.966 -7.856 1.483 1.00 0.00 C ATOM 992 C PRO A 63 0.976 -6.331 1.323 1.00 0.00 C ATOM 993 O PRO A 63 1.084 -5.592 2.301 1.00 0.00 O ATOM 994 CB PRO A 63 -0.324 -8.383 2.115 1.00 0.00 C ATOM 995 CG PRO A 63 -0.029 -8.387 3.614 1.00 0.00 C ATOM 996 CD PRO A 63 1.483 -8.595 3.704 1.00 0.00 C ATOM 0 HA PRO A 63 1.078 -8.267 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.174 -7.744 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.566 -9.382 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.329 -7.449 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.571 -9.184 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.915 -7.969 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.718 -9.629 3.958 1.00 0.00 H new ATOM 1004 N CYS A 64 0.878 -5.858 0.080 1.00 0.00 N ATOM 1005 CA CYS A 64 1.044 -4.442 -0.275 1.00 0.00 C ATOM 1006 C CYS A 64 -0.048 -3.515 0.305 1.00 0.00 C ATOM 1007 O CYS A 64 0.143 -2.299 0.382 1.00 0.00 O ATOM 1008 CB CYS A 64 1.111 -4.387 -1.804 1.00 0.00 C ATOM 1009 SG CYS A 64 2.004 -2.923 -2.367 1.00 0.00 S ATOM 0 H CYS A 64 0.678 -6.454 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 64 1.959 -4.055 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.603 -5.284 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.101 -4.380 -2.215 1.00 0.00 H new ATOM 0 HG CYS A 64 2.227 -3.016 -3.644 1.00 0.00 H new ATOM 1015 N THR A 65 -1.161 -4.098 0.775 1.00 0.00 N ATOM 1016 CA THR A 65 -2.216 -3.428 1.552 1.00 0.00 C ATOM 1017 C THR A 65 -1.683 -2.785 2.834 1.00 0.00 C ATOM 1018 O THR A 65 -2.264 -1.798 3.286 1.00 0.00 O ATOM 1019 CB THR A 65 -3.315 -4.425 1.935 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.708 -5.519 2.593 1.00 0.00 O ATOM 1021 CG2 THR A 65 -4.072 -4.955 0.716 1.00 0.00 C ATOM 0 H THR A 65 -1.359 -5.086 0.619 1.00 0.00 H new ATOM 0 HA THR A 65 -2.615 -2.642 0.910 1.00 0.00 H new ATOM 0 HB THR A 65 -4.031 -3.909 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.395 -6.169 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.839 -5.657 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.541 -4.124 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.376 -5.462 0.048 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.598 -3.333 3.405 1.00 0.00 N ATOM 1030 CA CYS A 66 0.036 -2.866 4.645 1.00 0.00 C ATOM 1031 C CYS A 66 -0.954 -2.841 5.830 1.00 0.00 C ATOM 1032 O CYS A 66 -0.948 -1.918 6.642 1.00 0.00 O ATOM 1033 CB CYS A 66 0.761 -1.529 4.396 1.00 0.00 C ATOM 1034 SG CYS A 66 2.038 -1.721 3.115 1.00 0.00 S ATOM 0 H CYS A 66 -0.123 -4.140 3.001 1.00 0.00 H new ATOM 0 HA CYS A 66 0.799 -3.583 4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.041 -0.771 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.217 -1.179 5.322 1.00 0.00 H new ATOM 0 HG CYS A 66 1.471 -1.957 1.969 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.797 -3.878 5.944 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.866 -3.982 6.951 1.00 0.00 C ATOM 1042 C ASP A 67 -2.349 -3.890 8.396 1.00 0.00 C ATOM 1043 O ASP A 67 -3.045 -3.399 9.286 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.629 -5.296 6.719 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.731 -5.542 7.767 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -5.802 -4.893 7.689 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.531 -6.409 8.651 1.00 0.00 O ATOM 0 H ASP A 67 -1.754 -4.687 5.324 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.533 -3.129 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.077 -5.280 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.925 -6.128 6.738 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.092 -4.291 8.617 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.408 -4.169 9.901 1.00 0.00 C ATOM 1054 C PHE A 68 -0.230 -2.709 10.377 1.00 0.00 C ATOM 1055 O PHE A 68 0.031 -2.489 11.563 1.00 0.00 O ATOM 1056 CB PHE A 68 0.928 -4.925 9.821 1.00 0.00 C ATOM 1057 CG PHE A 68 1.921 -4.366 8.816 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.811 -3.350 9.207 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.961 -4.858 7.495 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.731 -2.825 8.285 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.878 -4.325 6.571 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.764 -3.308 6.966 1.00 0.00 C ATOM 0 H PHE A 68 -0.514 -4.717 7.892 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.040 -4.621 10.665 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.391 -4.921 10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.725 -5.966 9.569 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.787 -2.973 10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.287 -5.645 7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.415 -2.047 8.591 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.901 -4.697 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.469 -2.899 6.257 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.399 -1.710 9.494 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.402 -0.283 9.850 1.00 0.00 C ATOM 1074 C LEU A 69 -1.729 0.207 10.448 1.00 0.00 C ATOM 1075 O LEU A 69 -1.768 1.309 10.999 1.00 0.00 O ATOM 1076 CB LEU A 69 -0.058 0.577 8.618 1.00 0.00 C ATOM 1077 CG LEU A 69 1.319 0.309 7.983 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.525 1.278 6.811 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.450 0.492 9.001 1.00 0.00 C ATOM 0 H LEU A 69 -0.539 -1.875 8.497 1.00 0.00 H new ATOM 0 HA LEU A 69 0.357 -0.172 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.825 0.417 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.108 1.627 8.905 1.00 0.00 H new ATOM 0 HG LEU A 69 1.344 -0.723 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.498 1.096 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.742 1.123 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.482 2.304 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.408 0.295 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.437 1.514 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.310 -0.203 9.829 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.813 -0.563 10.345 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.119 -0.183 10.871 1.00 0.00 C ATOM 1093 C HIS A 70 -4.142 -0.280 12.414 1.00 0.00 C ATOM 1094 O HIS A 70 -3.948 -1.356 12.992 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.200 -1.062 10.215 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.227 -1.056 8.697 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -5.790 -2.029 7.900 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -4.714 -0.109 7.846 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.631 -1.671 6.617 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -4.975 -0.503 6.529 1.00 0.00 N ATOM 0 H HIS A 70 -2.806 -1.476 9.890 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.327 0.858 10.625 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.060 -2.089 10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.175 -0.737 10.578 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.250 -2.878 8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.195 0.790 8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.982 -2.244 5.771 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.386 0.856 13.080 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.515 0.988 14.538 1.00 0.00 C ATOM 1110 C GLY A 71 -5.982 1.038 14.999 1.00 0.00 C ATOM 1111 O GLY A 71 -6.881 0.708 14.219 1.00 0.00 O ATOM 0 H GLY A 71 -4.504 1.747 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.014 0.149 15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.004 1.894 14.864 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.249 1.474 16.248 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.607 1.571 16.788 1.00 0.00 C ATOM 1117 C PRO A 72 -8.435 2.694 16.137 1.00 0.00 C ATOM 1118 O PRO A 72 -9.660 2.594 16.103 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.423 1.798 18.294 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.072 2.502 18.392 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.271 1.863 17.257 1.00 0.00 C ATOM 0 HA PRO A 72 -8.176 0.666 16.576 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.224 2.410 18.707 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.425 0.857 18.844 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.168 3.580 18.262 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.601 2.339 19.361 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.545 2.566 16.847 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.711 0.998 17.613 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.784 3.738 15.595 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.454 4.869 14.932 1.00 0.00 C ATOM 1131 C ARG A 73 -8.784 4.589 13.448 1.00 0.00 C ATOM 1132 O ARG A 73 -9.558 5.334 12.838 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.564 6.118 15.106 1.00 0.00 C ATOM 1134 CG ARG A 73 -8.330 7.440 14.915 1.00 0.00 C ATOM 1135 CD ARG A 73 -7.470 8.649 15.307 1.00 0.00 C ATOM 1136 NE ARG A 73 -8.273 9.887 15.303 1.00 0.00 N ATOM 1137 CZ ARG A 73 -8.002 11.008 15.962 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -6.883 11.174 16.637 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -8.876 11.992 15.953 1.00 0.00 N ATOM 0 H ARG A 73 -6.767 3.821 15.605 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.423 5.035 15.402 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.119 6.104 16.101 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.744 6.074 14.390 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.641 7.535 13.874 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.238 7.427 15.519 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.042 8.491 16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.636 8.749 14.612 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.122 9.881 14.737 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.189 10.427 16.666 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.710 12.050 17.131 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.753 11.890 15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.676 12.856 16.456 1.00 0.00 H new ATOM 1153 N THR A 74 -8.186 3.542 12.853 1.00 0.00 N ATOM 1154 CA THR A 74 -8.241 3.242 11.410 1.00 0.00 C ATOM 1155 C THR A 74 -9.636 2.799 10.968 1.00 0.00 C ATOM 1156 O THR A 74 -10.366 2.134 11.702 1.00 0.00 O ATOM 1157 CB THR A 74 -7.162 2.224 11.029 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.927 2.712 11.495 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.058 2.057 9.518 1.00 0.00 C ATOM 0 H THR A 74 -7.635 2.862 13.377 1.00 0.00 H new ATOM 0 HA THR A 74 -8.031 4.165 10.869 1.00 0.00 H new ATOM 0 HB THR A 74 -7.420 1.261 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.478 3.205 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.283 1.327 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.013 1.710 9.124 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.804 3.014 9.063 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.000 3.212 9.754 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.351 3.132 9.205 1.00 0.00 C ATOM 1169 C GLN A 75 -11.540 1.807 8.446 1.00 0.00 C ATOM 1170 O GLN A 75 -10.892 1.586 7.421 1.00 0.00 O ATOM 1171 CB GLN A 75 -11.588 4.334 8.264 1.00 0.00 C ATOM 1172 CG GLN A 75 -11.399 5.722 8.910 1.00 0.00 C ATOM 1173 CD GLN A 75 -9.950 6.174 9.142 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -8.974 5.620 8.639 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -9.753 7.182 9.960 1.00 0.00 N ATOM 0 H GLN A 75 -9.335 3.627 9.102 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.077 3.164 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.908 4.250 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.601 4.270 7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.891 6.462 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.916 5.726 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.549 7.655 10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.804 7.492 10.168 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.470 0.945 8.885 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.723 -0.371 8.263 1.00 0.00 C ATOM 1186 C ARG A 76 -13.119 -0.269 6.779 1.00 0.00 C ATOM 1187 O ARG A 76 -12.659 -1.066 5.961 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.811 -1.128 9.052 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.435 -1.490 10.503 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.237 -2.444 10.639 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.465 -3.739 9.962 1.00 0.00 N ATOM 1192 CZ ARG A 76 -13.149 -4.780 10.428 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -13.746 -4.761 11.603 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -13.242 -5.875 9.704 1.00 0.00 N ATOM 0 H ARG A 76 -13.072 1.139 9.685 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.784 -0.924 8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.715 -0.520 9.069 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.054 -2.046 8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.214 -0.571 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.300 -1.945 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.350 -1.970 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.035 -2.620 11.696 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.052 -3.845 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.692 -3.928 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.262 -5.580 11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.791 -5.922 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.765 -6.676 10.056 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.886 0.767 6.407 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.265 1.059 5.013 1.00 0.00 C ATOM 1210 C ARG A 77 -13.031 1.341 4.140 1.00 0.00 C ATOM 1211 O ARG A 77 -12.895 0.783 3.058 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.259 2.239 5.012 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.901 2.532 3.641 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.859 1.436 3.140 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.054 1.321 3.996 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.977 0.365 3.944 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.914 -0.628 3.080 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -19.993 0.403 4.777 1.00 0.00 N ATOM 0 H ARG A 77 -14.267 1.437 7.075 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.748 0.186 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.050 2.032 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.741 3.134 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.446 3.474 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.109 2.670 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.164 1.659 2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.336 0.480 3.115 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.186 2.048 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.138 -0.682 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.642 -1.343 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.068 1.161 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.706 -0.326 4.745 1.00 0.00 H new ATOM 1232 N ALA A 78 -12.088 2.152 4.620 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.861 2.478 3.884 1.00 0.00 C ATOM 1234 C ALA A 78 -9.874 1.299 3.822 1.00 0.00 C ATOM 1235 O ALA A 78 -9.319 1.017 2.759 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.243 3.712 4.535 1.00 0.00 C ATOM 0 H ALA A 78 -12.151 2.604 5.532 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.107 2.689 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.327 3.980 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.948 4.542 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.013 3.496 5.578 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.722 0.556 4.924 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.932 -0.680 4.965 1.00 0.00 C ATOM 1244 C ALA A 79 -9.400 -1.701 3.907 1.00 0.00 C ATOM 1245 O ALA A 79 -8.581 -2.387 3.294 1.00 0.00 O ATOM 1246 CB ALA A 79 -9.032 -1.249 6.386 1.00 0.00 C ATOM 0 H ALA A 79 -10.147 0.797 5.819 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.892 -0.462 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.454 -2.171 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.638 -0.523 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.076 -1.458 6.622 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.713 -1.740 3.641 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.319 -2.528 2.570 1.00 0.00 C ATOM 1254 C ALA A 80 -11.053 -1.931 1.190 1.00 0.00 C ATOM 1255 O ALA A 80 -10.640 -2.658 0.294 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.827 -2.596 2.814 1.00 0.00 C ATOM 0 H ALA A 80 -11.396 -1.209 4.181 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.873 -3.522 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.297 -3.181 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.019 -3.068 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.241 -1.588 2.815 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.266 -0.623 1.002 1.00 0.00 N ATOM 1263 CA GLN A 81 -11.065 0.015 -0.303 1.00 0.00 C ATOM 1264 C GLN A 81 -9.626 -0.157 -0.812 1.00 0.00 C ATOM 1265 O GLN A 81 -9.449 -0.372 -2.005 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.471 1.497 -0.272 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.981 1.753 -0.113 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.439 2.947 -0.952 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.617 2.851 -2.159 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -13.611 4.118 -0.371 1.00 0.00 N ATOM 0 H GLN A 81 -11.577 0.013 1.736 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.719 -0.495 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.946 1.985 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.132 1.971 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.535 0.863 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.212 1.935 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.467 4.215 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.888 4.927 -0.927 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.598 -0.150 0.053 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.214 -0.464 -0.374 1.00 0.00 C ATOM 1281 C ILE A 82 -7.075 -1.907 -0.887 1.00 0.00 C ATOM 1282 O ILE A 82 -6.351 -2.136 -1.853 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.225 -0.141 0.771 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.191 1.389 0.960 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.802 -0.663 0.487 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.563 1.841 2.274 1.00 0.00 C ATOM 0 H ILE A 82 -8.692 0.067 1.045 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.964 0.170 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.570 -0.643 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.637 1.834 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.209 1.774 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.148 -0.410 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.830 -1.746 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.421 -0.203 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.578 2.930 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.129 1.428 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.533 1.489 2.325 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.794 -2.871 -0.305 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.840 -4.249 -0.802 1.00 0.00 C ATOM 1300 C ALA A 83 -8.669 -4.378 -2.098 1.00 0.00 C ATOM 1301 O ALA A 83 -8.291 -5.130 -2.997 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.360 -5.160 0.319 1.00 0.00 C ATOM 0 H ALA A 83 -8.363 -2.717 0.528 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.833 -4.563 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.399 -6.189 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.691 -5.099 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.359 -4.840 0.614 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.767 -3.621 -2.232 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.580 -3.580 -3.457 1.00 0.00 C ATOM 1310 C GLN A 84 -9.831 -2.901 -4.615 1.00 0.00 C ATOM 1311 O GLN A 84 -9.979 -3.317 -5.760 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.918 -2.856 -3.208 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.856 -3.509 -2.173 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.307 -4.920 -2.554 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.232 -5.116 -3.334 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.679 -5.955 -2.032 1.00 0.00 N ATOM 0 H GLN A 84 -10.119 -3.016 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.781 -4.613 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.703 -1.838 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.451 -2.782 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.348 -3.548 -1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.736 -2.878 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.907 -5.808 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.965 -6.903 -2.279 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.976 -1.907 -4.344 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.172 -1.218 -5.360 1.00 0.00 C ATOM 1327 C ALA A 85 -7.242 -2.167 -6.154 1.00 0.00 C ATOM 1328 O ALA A 85 -6.834 -1.840 -7.269 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.374 -0.111 -4.665 1.00 0.00 C ATOM 0 H ALA A 85 -8.821 -1.554 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.847 -0.795 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.767 0.417 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.061 0.590 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.725 -0.551 -3.908 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.933 -3.346 -5.594 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.118 -4.399 -6.211 1.00 0.00 C ATOM 1337 C LEU A 86 -6.907 -5.326 -7.155 1.00 0.00 C ATOM 1338 O LEU A 86 -6.289 -6.054 -7.931 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.466 -5.246 -5.104 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.679 -4.459 -4.039 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.168 -5.429 -2.970 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.503 -3.671 -4.629 1.00 0.00 C ATOM 0 H LEU A 86 -7.258 -3.601 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.370 -3.894 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.246 -5.819 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.792 -5.964 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.361 -3.730 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.610 -4.876 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.014 -5.932 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.516 -6.170 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.986 -3.137 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.810 -4.359 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.876 -2.956 -5.362 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.249 -5.329 -7.113 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.060 -6.093 -8.084 1.00 0.00 C ATOM 1356 C LEU A 87 -9.319 -5.299 -9.377 1.00 0.00 C ATOM 1357 O LEU A 87 -9.600 -5.894 -10.421 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.333 -6.663 -7.414 1.00 0.00 C ATOM 1359 CG LEU A 87 -11.583 -5.756 -7.329 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -12.497 -5.858 -8.560 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -12.414 -6.140 -6.096 1.00 0.00 C ATOM 0 H LEU A 87 -8.796 -4.815 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.484 -6.959 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.615 -7.569 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.070 -6.963 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.212 -4.733 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.354 -5.196 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.941 -5.566 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.845 -6.885 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.295 -5.500 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.727 -7.181 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.811 -6.012 -5.197 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.194 -3.967 -9.317 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.436 -3.047 -10.434 1.00 0.00 C ATOM 1375 C GLY A 88 -8.243 -2.918 -11.387 1.00 0.00 C ATOM 1376 O GLY A 88 -7.084 -3.008 -10.978 1.00 0.00 O ATOM 0 H GLY A 88 -8.913 -3.486 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.305 -3.390 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.682 -2.062 -10.037 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.539 -2.656 -12.664 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.551 -2.453 -13.735 1.00 0.00 C ATOM 1382 C ALA A 89 -7.122 -0.980 -13.924 1.00 0.00 C ATOM 1383 O ALA A 89 -6.291 -0.687 -14.785 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.162 -3.013 -15.026 1.00 0.00 C ATOM 0 H ALA A 89 -9.501 -2.576 -12.994 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.633 -2.974 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.459 -2.882 -15.848 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.376 -4.074 -14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.087 -2.482 -15.251 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.707 -0.059 -13.152 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.537 1.396 -13.258 1.00 0.00 C ATOM 1392 C GLU A 90 -7.112 2.013 -11.908 1.00 0.00 C ATOM 1393 O GLU A 90 -7.248 1.390 -10.852 1.00 0.00 O ATOM 1394 CB GLU A 90 -8.856 2.019 -13.751 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.167 1.659 -15.209 1.00 0.00 C ATOM 1396 CD GLU A 90 -10.452 2.351 -15.683 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.553 1.770 -15.531 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -10.375 3.483 -16.219 1.00 0.00 O ATOM 0 H GLU A 90 -8.344 -0.319 -12.399 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.742 1.609 -13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.674 1.681 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.801 3.103 -13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.334 1.955 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.274 0.579 -15.306 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.582 3.242 -11.945 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.099 3.978 -10.767 1.00 0.00 C ATOM 1407 C GLU A 91 -7.218 4.201 -9.728 1.00 0.00 C ATOM 1408 O GLU A 91 -8.336 4.591 -10.080 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.496 5.319 -11.233 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.750 6.091 -10.137 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.340 7.483 -10.642 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.376 7.590 -11.436 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.987 8.486 -10.251 1.00 0.00 O ATOM 0 H GLU A 91 -6.474 3.765 -12.814 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.332 3.384 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.810 5.128 -12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.296 5.948 -11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.386 6.190 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.865 5.534 -9.830 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.900 3.984 -8.442 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.831 4.143 -7.309 1.00 0.00 C ATOM 1422 C ARG A 92 -7.106 4.758 -6.107 1.00 0.00 C ATOM 1423 O ARG A 92 -6.045 4.273 -5.707 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.466 2.772 -6.968 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.952 2.799 -6.556 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.271 3.621 -5.296 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.674 3.464 -4.864 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.752 4.053 -5.377 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -12.711 4.808 -6.456 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.912 3.885 -4.784 1.00 0.00 N ATOM 0 H ARG A 92 -5.968 3.686 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.634 4.827 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.362 2.120 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.893 2.320 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.535 3.197 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.286 1.774 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.608 3.314 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.069 4.674 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.836 2.830 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.825 4.963 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.565 5.238 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.977 3.310 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.748 4.329 -5.164 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.684 5.812 -5.520 1.00 0.00 N ATOM 1445 CA LYS A 93 -7.188 6.501 -4.316 1.00 0.00 C ATOM 1446 C LYS A 93 -8.093 6.234 -3.090 1.00 0.00 C ATOM 1447 O LYS A 93 -9.315 6.196 -3.225 1.00 0.00 O ATOM 1448 CB LYS A 93 -7.055 8.015 -4.602 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.418 8.329 -5.971 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.788 9.726 -6.058 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.827 10.840 -5.844 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.246 12.193 -6.069 1.00 0.00 N ATOM 0 H LYS A 93 -8.543 6.227 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.204 6.102 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.043 8.473 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.454 8.474 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.653 7.582 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.180 8.236 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.000 9.816 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.317 9.852 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.667 10.688 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.221 10.778 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.978 12.915 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.461 12.349 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.893 12.261 -7.045 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.503 6.046 -1.903 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.191 5.809 -0.612 1.00 0.00 C ATOM 1468 C VAL A 94 -7.468 6.594 0.485 1.00 0.00 C ATOM 1469 O VAL A 94 -6.237 6.585 0.531 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.221 4.304 -0.235 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -9.033 4.074 1.045 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.775 3.455 -1.374 1.00 0.00 C ATOM 0 H VAL A 94 -6.488 6.054 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.224 6.143 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.192 3.994 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.038 3.011 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.583 4.631 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.057 4.416 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.782 2.406 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.792 3.774 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.148 3.577 -2.257 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.221 7.257 1.364 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.690 7.999 2.512 1.00 0.00 C ATOM 1484 C GLU A 95 -7.919 7.215 3.816 1.00 0.00 C ATOM 1485 O GLU A 95 -9.005 6.677 4.031 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.357 9.383 2.552 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.816 10.297 3.655 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.541 11.653 3.626 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.307 12.455 2.692 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.361 11.920 4.536 1.00 0.00 O ATOM 0 H GLU A 95 -9.238 7.295 1.298 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.613 8.130 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.218 9.871 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.430 9.255 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.952 9.825 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.745 10.446 3.520 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.907 7.134 4.690 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.873 6.178 5.816 1.00 0.00 C ATOM 1499 C ILE A 96 -5.870 6.586 6.905 1.00 0.00 C ATOM 1500 O ILE A 96 -4.864 7.227 6.609 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.571 4.759 5.267 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.801 3.689 6.353 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.164 4.654 4.649 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.851 2.266 5.799 1.00 0.00 C ATOM 0 H ILE A 96 -6.082 7.731 4.639 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.851 6.180 6.298 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.274 4.571 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.004 3.755 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.736 3.903 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.003 3.641 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.076 5.359 3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.416 4.887 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.015 1.563 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.666 2.184 5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.907 2.034 5.305 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.120 6.226 8.168 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.160 6.436 9.257 1.00 0.00 C ATOM 1518 C ALA A 97 -4.158 5.269 9.383 1.00 0.00 C ATOM 1519 O ALA A 97 -4.559 4.122 9.581 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.927 6.697 10.559 1.00 0.00 C ATOM 0 H ALA A 97 -6.990 5.783 8.464 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.553 7.312 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.219 6.854 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.549 7.584 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.558 5.838 10.788 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.861 5.577 9.304 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.724 4.671 9.483 1.00 0.00 C ATOM 1528 C PHE A 98 -0.904 5.032 10.732 1.00 0.00 C ATOM 1529 O PHE A 98 -0.638 6.204 11.006 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.814 4.771 8.245 1.00 0.00 C ATOM 1531 CG PHE A 98 -1.256 4.080 6.963 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.348 3.189 6.925 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.501 4.292 5.793 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.650 2.487 5.746 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.811 3.602 4.607 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.878 2.687 4.589 1.00 0.00 C ATOM 0 H PHE A 98 -2.557 6.529 9.100 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.108 3.659 9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.674 5.828 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.163 4.371 8.518 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.955 3.045 7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.323 4.990 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.477 1.792 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.231 3.775 3.713 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.104 2.138 3.687 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.447 4.014 11.468 1.00 0.00 N ATOM 1547 CA TYR A 99 0.486 4.184 12.591 1.00 0.00 C ATOM 1548 C TYR A 99 1.950 4.407 12.135 1.00 0.00 C ATOM 1549 O TYR A 99 2.323 4.073 11.004 1.00 0.00 O ATOM 1550 CB TYR A 99 0.322 3.020 13.596 1.00 0.00 C ATOM 1551 CG TYR A 99 1.508 2.083 13.765 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.987 1.337 12.671 1.00 0.00 C ATOM 1553 CD2 TYR A 99 2.146 1.967 15.017 1.00 0.00 C ATOM 1554 CE1 TYR A 99 3.111 0.501 12.815 1.00 0.00 C ATOM 1555 CE2 TYR A 99 3.262 1.121 15.173 1.00 0.00 C ATOM 1556 CZ TYR A 99 3.751 0.388 14.068 1.00 0.00 C ATOM 1557 OH TYR A 99 4.833 -0.432 14.205 1.00 0.00 O ATOM 0 H TYR A 99 -0.714 3.044 11.302 1.00 0.00 H new ATOM 0 HA TYR A 99 0.226 5.106 13.111 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.084 3.445 14.571 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.539 2.426 13.289 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.489 1.406 11.715 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.777 2.530 15.862 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.483 -0.054 11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.743 1.033 16.136 1.00 0.00 H new ATOM 0 HH TYR A 99 5.156 -0.395 15.129 1.00 0.00 H new ATOM 1567 N ARG A 100 2.795 4.921 13.041 1.00 0.00 N ATOM 1568 CA ARG A 100 4.262 4.943 12.904 1.00 0.00 C ATOM 1569 C ARG A 100 4.976 4.240 14.065 1.00 0.00 C ATOM 1570 O ARG A 100 4.450 4.180 15.176 1.00 0.00 O ATOM 1571 CB ARG A 100 4.780 6.377 12.682 1.00 0.00 C ATOM 1572 CG ARG A 100 4.583 7.381 13.828 1.00 0.00 C ATOM 1573 CD ARG A 100 5.266 8.702 13.446 1.00 0.00 C ATOM 1574 NE ARG A 100 5.127 9.723 14.502 1.00 0.00 N ATOM 1575 CZ ARG A 100 4.755 10.989 14.321 1.00 0.00 C ATOM 1576 NH1 ARG A 100 4.389 11.467 13.150 1.00 0.00 N ATOM 1577 NH2 ARG A 100 4.760 11.825 15.333 1.00 0.00 N ATOM 0 H ARG A 100 2.471 5.344 13.911 1.00 0.00 H new ATOM 0 HA ARG A 100 4.507 4.365 12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.846 6.321 12.462 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.292 6.778 11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.521 7.543 14.010 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.008 6.989 14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.324 8.521 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.834 9.078 12.519 1.00 0.00 H new ATOM 0 HE ARG A 100 5.335 9.433 15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.382 10.859 12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.112 12.445 13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.049 11.505 16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.475 12.795 15.195 1.00 0.00 H new ATOM 1591 N LYS A 101 6.203 3.763 13.824 1.00 0.00 N ATOM 1592 CA LYS A 101 7.040 2.984 14.761 1.00 0.00 C ATOM 1593 C LYS A 101 7.236 3.644 16.143 1.00 0.00 C ATOM 1594 O LYS A 101 7.414 2.948 17.145 1.00 0.00 O ATOM 1595 CB LYS A 101 8.421 2.728 14.108 1.00 0.00 C ATOM 1596 CG LYS A 101 8.760 1.239 13.957 1.00 0.00 C ATOM 1597 CD LYS A 101 8.050 0.627 12.741 1.00 0.00 C ATOM 1598 CE LYS A 101 8.243 -0.897 12.638 1.00 0.00 C ATOM 1599 NZ LYS A 101 9.675 -1.307 12.571 1.00 0.00 N ATOM 0 H LYS A 101 6.667 3.914 12.928 1.00 0.00 H new ATOM 0 HA LYS A 101 6.506 2.053 14.950 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.442 3.199 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.193 3.209 14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.838 1.118 13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.467 0.703 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.985 0.850 12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.426 1.098 11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.776 -1.374 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.726 -1.263 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.750 -2.228 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.215 -0.596 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.060 -1.383 13.534 1.00 0.00 H new ATOM 1613 N ASP A 102 7.181 4.978 16.197 1.00 0.00 N ATOM 1614 CA ASP A 102 7.283 5.782 17.426 1.00 0.00 C ATOM 1615 C ASP A 102 6.076 5.619 18.376 1.00 0.00 C ATOM 1616 O ASP A 102 6.141 6.043 19.532 1.00 0.00 O ATOM 1617 CB ASP A 102 7.450 7.261 17.046 1.00 0.00 C ATOM 1618 CG ASP A 102 8.712 7.515 16.207 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.814 7.630 16.798 1.00 0.00 O ATOM 1620 OD2 ASP A 102 8.592 7.603 14.962 1.00 0.00 O ATOM 0 H ASP A 102 7.060 5.550 15.361 1.00 0.00 H new ATOM 0 HA ASP A 102 8.152 5.417 17.973 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.574 7.590 16.487 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.494 7.863 17.954 1.00 0.00 H new ATOM 1625 N GLY A 103 4.978 5.010 17.900 1.00 0.00 N ATOM 1626 CA GLY A 103 3.749 4.765 18.669 1.00 0.00 C ATOM 1627 C GLY A 103 2.683 5.848 18.481 1.00 0.00 C ATOM 1628 O GLY A 103 1.822 6.014 19.344 1.00 0.00 O ATOM 0 H GLY A 103 4.920 4.665 16.942 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.332 3.802 18.375 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.000 4.694 19.727 1.00 0.00 H new ATOM 1632 N SER A 104 2.737 6.586 17.370 1.00 0.00 N ATOM 1633 CA SER A 104 1.756 7.622 17.006 1.00 0.00 C ATOM 1634 C SER A 104 1.071 7.307 15.658 1.00 0.00 C ATOM 1635 O SER A 104 1.263 6.226 15.093 1.00 0.00 O ATOM 1636 CB SER A 104 2.455 8.991 17.005 1.00 0.00 C ATOM 1637 OG SER A 104 1.505 10.049 17.015 1.00 0.00 O ATOM 0 H SER A 104 3.480 6.481 16.679 1.00 0.00 H new ATOM 0 HA SER A 104 0.956 7.642 17.746 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.104 9.072 17.877 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.092 9.078 16.124 1.00 0.00 H new ATOM 0 HG SER A 104 1.974 10.910 17.016 1.00 0.00 H new ATOM 1643 N CYS A 105 0.260 8.232 15.135 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.636 8.017 13.996 1.00 0.00 C ATOM 1645 C CYS A 105 -0.766 9.267 13.103 1.00 0.00 C ATOM 1646 O CYS A 105 -0.594 10.402 13.556 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.985 7.547 14.569 1.00 0.00 C ATOM 1648 SG CYS A 105 -3.056 6.898 13.255 1.00 0.00 S ATOM 0 H CYS A 105 0.208 9.181 15.505 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.229 7.256 13.330 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.817 6.776 15.321 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.481 8.378 15.071 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.354 6.708 12.177 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.090 9.050 11.830 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.320 10.081 10.819 1.00 0.00 C ATOM 1656 C PHE A 106 -2.321 9.600 9.763 1.00 0.00 C ATOM 1657 O PHE A 106 -2.379 8.420 9.421 1.00 0.00 O ATOM 1658 CB PHE A 106 0.005 10.514 10.158 1.00 0.00 C ATOM 1659 CG PHE A 106 0.744 9.429 9.384 1.00 0.00 C ATOM 1660 CD1 PHE A 106 1.518 8.468 10.064 1.00 0.00 C ATOM 1661 CD2 PHE A 106 0.668 9.384 7.976 1.00 0.00 C ATOM 1662 CE1 PHE A 106 2.185 7.457 9.348 1.00 0.00 C ATOM 1663 CE2 PHE A 106 1.349 8.384 7.260 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.100 7.414 7.946 1.00 0.00 C ATOM 0 H PHE A 106 -1.205 8.107 11.458 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.747 10.950 11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.202 11.341 9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.668 10.897 10.934 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.600 8.508 11.140 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.084 10.121 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.763 6.713 9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.295 8.361 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.611 6.637 7.397 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.088 10.538 9.211 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.874 10.318 8.001 1.00 0.00 C ATOM 1676 C LEU A 107 -2.953 10.305 6.779 1.00 0.00 C ATOM 1677 O LEU A 107 -2.117 11.191 6.588 1.00 0.00 O ATOM 1678 CB LEU A 107 -4.967 11.394 7.853 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.374 11.032 8.365 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.946 9.757 7.740 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.390 10.920 9.893 1.00 0.00 C ATOM 0 H LEU A 107 -3.181 11.479 9.594 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.370 9.350 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.635 12.290 8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.046 11.654 6.797 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.021 11.852 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.938 9.565 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.016 9.881 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.292 8.915 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.395 10.664 10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.693 10.143 10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.093 11.873 10.331 1.00 0.00 H new ATOM 1693 N CYS A 108 -3.168 9.321 5.916 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.411 9.042 4.705 1.00 0.00 C ATOM 1695 C CYS A 108 -3.365 8.878 3.506 1.00 0.00 C ATOM 1696 O CYS A 108 -4.469 8.344 3.650 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.605 7.762 4.979 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.420 7.448 3.642 1.00 0.00 S ATOM 0 H CYS A 108 -3.926 8.653 6.053 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.738 9.860 4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.074 7.857 5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.283 6.914 5.077 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.134 8.566 3.044 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.940 9.306 2.316 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.532 8.887 1.046 1.00 0.00 C ATOM 1706 C LEU A 109 -2.729 7.698 0.519 1.00 0.00 C ATOM 1707 O LEU A 109 -1.515 7.808 0.369 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.504 10.046 0.023 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.459 9.843 -1.175 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -5.934 9.979 -0.767 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.147 10.882 -2.260 1.00 0.00 C ATOM 0 H LEU A 109 -2.166 9.961 2.207 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.573 8.603 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.766 10.974 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.487 10.164 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.303 8.832 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.568 9.829 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.173 9.230 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.108 10.975 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.820 10.739 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.282 11.884 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.116 10.762 -2.593 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.409 6.602 0.196 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.879 5.542 -0.672 1.00 0.00 C ATOM 1725 C VAL A 110 -3.505 5.728 -2.053 1.00 0.00 C ATOM 1726 O VAL A 110 -4.731 5.775 -2.144 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.210 4.134 -0.130 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.667 3.041 -1.044 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.677 3.943 1.299 1.00 0.00 C ATOM 0 H VAL A 110 -4.355 6.418 0.531 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.792 5.617 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.297 4.051 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.918 2.064 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.110 3.142 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.584 3.135 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.927 2.942 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.594 4.069 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.131 4.683 1.959 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.714 5.800 -3.123 1.00 0.00 N ATOM 1740 CA ASP A 111 -3.188 5.674 -4.493 1.00 0.00 C ATOM 1741 C ASP A 111 -2.459 4.521 -5.183 1.00 0.00 C ATOM 1742 O ASP A 111 -1.234 4.494 -5.245 1.00 0.00 O ATOM 1743 CB ASP A 111 -3.093 7.007 -5.249 1.00 0.00 C ATOM 1744 CG ASP A 111 -1.677 7.583 -5.422 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -1.209 8.319 -4.521 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.080 7.375 -6.505 1.00 0.00 O ATOM 0 H ASP A 111 -1.707 5.950 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.250 5.428 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.533 6.874 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.702 7.744 -4.725 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.222 3.542 -5.669 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.683 2.413 -6.441 1.00 0.00 C ATOM 1753 C VAL A 112 -2.572 2.854 -7.895 1.00 0.00 C ATOM 1754 O VAL A 112 -3.538 3.367 -8.457 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.611 1.192 -6.372 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -3.225 0.053 -7.333 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.746 0.599 -4.968 1.00 0.00 C ATOM 0 H VAL A 112 -4.233 3.506 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.715 2.131 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.570 1.607 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.930 -0.771 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.252 0.418 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.219 -0.296 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.417 -0.260 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.766 0.281 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.151 1.352 -4.292 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.425 2.579 -8.509 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.205 2.737 -9.951 1.00 0.00 C ATOM 1769 C VAL A 113 -0.994 1.332 -10.533 1.00 0.00 C ATOM 1770 O VAL A 113 0.015 0.701 -10.208 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.017 3.689 -10.221 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.430 3.667 -11.694 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.401 5.129 -9.846 1.00 0.00 C ATOM 0 H VAL A 113 -0.604 2.233 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.063 3.199 -10.438 1.00 0.00 H new ATOM 0 HB VAL A 113 0.813 3.339 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.267 4.352 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.740 2.658 -11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.399 3.975 -12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.442 5.792 -10.040 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.256 5.445 -10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.662 5.172 -8.788 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.939 0.804 -11.337 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.805 -0.505 -11.962 1.00 0.00 C ATOM 1785 C PRO A 114 -0.830 -0.416 -13.139 1.00 0.00 C ATOM 1786 O PRO A 114 -0.954 0.455 -13.999 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.215 -0.900 -12.406 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.896 0.440 -12.662 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.241 1.382 -11.652 1.00 0.00 C ATOM 0 HA PRO A 114 -1.400 -1.256 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.195 -1.518 -13.304 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.732 -1.473 -11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.739 0.779 -13.686 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.973 0.377 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.131 2.383 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.852 1.475 -10.754 1.00 0.00 H new ATOM 1797 N VAL A 115 0.140 -1.330 -13.165 1.00 0.00 N ATOM 1798 CA VAL A 115 1.159 -1.424 -14.228 1.00 0.00 C ATOM 1799 C VAL A 115 0.818 -2.582 -15.163 1.00 0.00 C ATOM 1800 O VAL A 115 0.692 -3.723 -14.717 1.00 0.00 O ATOM 1801 CB VAL A 115 2.577 -1.616 -13.643 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.656 -1.734 -14.733 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.949 -0.457 -12.706 1.00 0.00 C ATOM 0 H VAL A 115 0.248 -2.040 -12.440 1.00 0.00 H new ATOM 0 HA VAL A 115 1.155 -0.487 -14.785 1.00 0.00 H new ATOM 0 HB VAL A 115 2.546 -2.552 -13.086 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.632 -1.867 -14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.438 -2.592 -15.369 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.664 -0.827 -15.337 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.951 -0.618 -12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.924 0.481 -13.260 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.236 -0.411 -11.883 1.00 0.00 H new ATOM 1813 N LYS A 116 0.714 -2.295 -16.465 1.00 0.00 N ATOM 1814 CA LYS A 116 0.553 -3.309 -17.515 1.00 0.00 C ATOM 1815 C LYS A 116 1.882 -3.745 -18.153 1.00 0.00 C ATOM 1816 O LYS A 116 2.860 -2.995 -18.189 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.433 -2.834 -18.595 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.863 -2.742 -18.054 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.865 -2.379 -19.159 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.240 -2.958 -18.798 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.256 -2.672 -19.851 1.00 0.00 N ATOM 0 H LYS A 116 0.739 -1.341 -16.825 1.00 0.00 H new ATOM 0 HA LYS A 116 0.144 -4.190 -17.020 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.122 -1.859 -18.969 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.407 -3.522 -19.440 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.145 -3.695 -17.606 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.906 -1.993 -17.263 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.929 -1.296 -19.268 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.529 -2.776 -20.117 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.155 -4.036 -18.658 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.573 -2.539 -17.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.171 -3.079 -19.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.356 -1.643 -19.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.951 -3.094 -20.751 1.00 0.00 H new ATOM 1835 N ASN A 117 1.890 -4.974 -18.679 1.00 0.00 N ATOM 1836 CA ASN A 117 3.021 -5.561 -19.402 1.00 0.00 C ATOM 1837 C ASN A 117 2.897 -5.338 -20.922 1.00 0.00 C ATOM 1838 O ASN A 117 1.968 -4.688 -21.403 1.00 0.00 O ATOM 1839 CB ASN A 117 3.172 -7.047 -19.010 1.00 0.00 C ATOM 1840 CG ASN A 117 2.234 -7.997 -19.745 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.638 -8.666 -20.681 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.963 -8.051 -19.394 1.00 0.00 N ATOM 0 H ASN A 117 1.090 -5.603 -18.612 1.00 0.00 H new ATOM 0 HA ASN A 117 3.940 -5.053 -19.111 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.200 -7.356 -19.198 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.000 -7.145 -17.938 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.318 -8.653 -19.906 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.626 -7.491 -18.611 1.00 0.00 H new ATOM 1849 N GLU A 118 3.814 -5.946 -21.671 1.00 0.00 N ATOM 1850 CA GLU A 118 3.871 -5.899 -23.142 1.00 0.00 C ATOM 1851 C GLU A 118 2.618 -6.469 -23.849 1.00 0.00 C ATOM 1852 O GLU A 118 2.345 -6.106 -24.995 1.00 0.00 O ATOM 1853 CB GLU A 118 5.145 -6.612 -23.632 1.00 0.00 C ATOM 1854 CG GLU A 118 5.272 -8.065 -23.150 1.00 0.00 C ATOM 1855 CD GLU A 118 6.456 -8.767 -23.827 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.593 -8.689 -23.301 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.266 -9.406 -24.890 1.00 0.00 O ATOM 0 H GLU A 118 4.565 -6.504 -21.264 1.00 0.00 H new ATOM 0 HA GLU A 118 3.897 -4.844 -23.415 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.160 -6.599 -24.722 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.016 -6.050 -23.294 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.404 -8.083 -22.068 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.351 -8.606 -23.368 1.00 0.00 H new ATOM 1864 N ASP A 119 1.836 -7.326 -23.181 1.00 0.00 N ATOM 1865 CA ASP A 119 0.598 -7.930 -23.705 1.00 0.00 C ATOM 1866 C ASP A 119 -0.664 -7.096 -23.383 1.00 0.00 C ATOM 1867 O ASP A 119 -1.763 -7.423 -23.839 1.00 0.00 O ATOM 1868 CB ASP A 119 0.484 -9.357 -23.139 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.614 -10.192 -23.820 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.529 -10.414 -25.052 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.538 -10.663 -23.112 1.00 0.00 O ATOM 0 H ASP A 119 2.051 -7.630 -22.231 1.00 0.00 H new ATOM 0 HA ASP A 119 0.656 -7.956 -24.793 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.442 -9.864 -23.254 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.279 -9.302 -22.070 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.522 -6.020 -22.595 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.623 -5.134 -22.190 1.00 0.00 C ATOM 1878 C GLY A 120 -2.477 -5.670 -21.036 1.00 0.00 C ATOM 1879 O GLY A 120 -3.617 -5.234 -20.881 1.00 0.00 O ATOM 0 H GLY A 120 0.380 -5.736 -22.214 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.208 -4.169 -21.901 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.267 -4.959 -23.051 1.00 0.00 H new ATOM 1883 N ALA A 121 -1.940 -6.584 -20.218 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.567 -7.089 -18.989 1.00 0.00 C ATOM 1885 C ALA A 121 -1.846 -6.520 -17.760 1.00 0.00 C ATOM 1886 O ALA A 121 -0.644 -6.258 -17.831 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.536 -8.627 -18.998 1.00 0.00 C ATOM 0 H ALA A 121 -1.029 -7.006 -20.398 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.607 -6.766 -18.942 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.000 -9.006 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.083 -8.997 -19.865 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.503 -8.970 -19.048 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.548 -6.336 -16.642 1.00 0.00 N ATOM 1894 CA VAL A 122 -1.968 -5.797 -15.391 1.00 0.00 C ATOM 1895 C VAL A 122 -1.185 -6.905 -14.675 1.00 0.00 C ATOM 1896 O VAL A 122 -1.729 -7.977 -14.417 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.042 -5.187 -14.453 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -2.445 -4.650 -13.140 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -3.781 -4.027 -15.140 1.00 0.00 C ATOM 0 H VAL A 122 -3.541 -6.555 -16.568 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.294 -4.983 -15.657 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.730 -6.001 -14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.241 -4.235 -12.522 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.955 -5.463 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.715 -3.872 -13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.528 -3.618 -14.460 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.067 -3.248 -15.406 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.272 -4.392 -16.042 1.00 0.00 H new ATOM 1909 N ILE A 123 0.091 -6.642 -14.358 1.00 0.00 N ATOM 1910 CA ILE A 123 1.006 -7.636 -13.736 1.00 0.00 C ATOM 1911 C ILE A 123 1.684 -7.158 -12.447 1.00 0.00 C ATOM 1912 O ILE A 123 2.059 -7.979 -11.616 1.00 0.00 O ATOM 1913 CB ILE A 123 2.047 -8.170 -14.748 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.245 -7.237 -15.040 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.379 -8.656 -16.045 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.957 -5.816 -15.535 1.00 0.00 C ATOM 0 H ILE A 123 0.528 -5.735 -14.522 1.00 0.00 H new ATOM 0 HA ILE A 123 0.358 -8.459 -13.436 1.00 0.00 H new ATOM 0 HB ILE A 123 2.495 -9.023 -14.238 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.834 -7.157 -14.127 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.874 -7.727 -15.784 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.142 -9.024 -16.731 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.680 -9.460 -15.815 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.841 -7.829 -16.509 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.898 -5.288 -15.694 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.404 -5.863 -16.473 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.364 -5.285 -14.791 1.00 0.00 H new ATOM 1928 N MET A 124 1.805 -5.845 -12.246 1.00 0.00 N ATOM 1929 CA MET A 124 2.238 -5.228 -10.979 1.00 0.00 C ATOM 1930 C MET A 124 1.308 -4.088 -10.543 1.00 0.00 C ATOM 1931 O MET A 124 0.730 -3.382 -11.370 1.00 0.00 O ATOM 1932 CB MET A 124 3.678 -4.705 -11.115 1.00 0.00 C ATOM 1933 CG MET A 124 4.713 -5.834 -11.191 1.00 0.00 C ATOM 1934 SD MET A 124 6.367 -5.276 -11.675 1.00 0.00 S ATOM 1935 CE MET A 124 6.099 -5.033 -13.450 1.00 0.00 C ATOM 0 H MET A 124 1.601 -5.160 -12.973 1.00 0.00 H new ATOM 0 HA MET A 124 2.196 -5.999 -10.209 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.753 -4.088 -12.010 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.909 -4.063 -10.265 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.775 -6.324 -10.219 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.369 -6.583 -11.904 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.654 -5.787 -14.008 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.036 -5.126 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.445 -4.040 -13.738 1.00 0.00 H new ATOM 1945 N PHE A 125 1.228 -3.868 -9.232 1.00 0.00 N ATOM 1946 CA PHE A 125 0.645 -2.675 -8.615 1.00 0.00 C ATOM 1947 C PHE A 125 1.756 -1.852 -7.972 1.00 0.00 C ATOM 1948 O PHE A 125 2.606 -2.392 -7.268 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.394 -3.099 -7.566 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.599 -3.786 -8.170 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.487 -3.049 -8.974 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.817 -5.160 -7.956 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.579 -3.689 -9.584 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.911 -5.797 -8.565 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.779 -5.066 -9.395 1.00 0.00 C ATOM 0 H PHE A 125 1.578 -4.537 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 125 0.147 -2.066 -9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.077 -3.769 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.724 -2.219 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.329 -1.991 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.145 -5.723 -7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.264 -3.122 -10.198 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.085 -6.849 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.601 -5.564 -9.888 1.00 0.00 H new ATOM 1965 N ILE A 126 1.724 -0.539 -8.184 1.00 0.00 N ATOM 1966 CA ILE A 126 2.517 0.419 -7.406 1.00 0.00 C ATOM 1967 C ILE A 126 1.551 1.051 -6.410 1.00 0.00 C ATOM 1968 O ILE A 126 0.570 1.659 -6.841 1.00 0.00 O ATOM 1969 CB ILE A 126 3.185 1.476 -8.316 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.040 0.822 -9.426 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.046 2.419 -7.454 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.549 1.811 -10.482 1.00 0.00 C ATOM 0 H ILE A 126 1.146 -0.104 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 126 3.340 -0.075 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 126 2.400 2.047 -8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.894 0.324 -8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.449 0.051 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.519 3.166 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.415 2.918 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.815 1.842 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.140 1.277 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.701 2.291 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.169 2.569 -10.002 1.00 0.00 H new ATOM 1984 N LEU A 127 1.794 0.900 -5.109 1.00 0.00 N ATOM 1985 CA LEU A 127 1.034 1.584 -4.061 1.00 0.00 C ATOM 1986 C LEU A 127 1.827 2.831 -3.711 1.00 0.00 C ATOM 1987 O LEU A 127 2.970 2.717 -3.266 1.00 0.00 O ATOM 1988 CB LEU A 127 0.883 0.688 -2.815 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.261 -0.339 -2.822 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.571 0.315 -2.403 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.386 -1.110 -4.147 1.00 0.00 C ATOM 0 H LEU A 127 2.531 0.294 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 127 0.028 1.826 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.820 0.149 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.751 1.335 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.010 -1.098 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.368 -0.428 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.469 0.723 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.815 1.119 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.213 -1.817 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.573 -0.408 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.540 -1.652 -4.341 1.00 0.00 H new ATOM 2003 N ASN A 128 1.238 4.005 -3.921 1.00 0.00 N ATOM 2004 CA ASN A 128 1.900 5.272 -3.576 1.00 0.00 C ATOM 2005 C ASN A 128 1.244 5.901 -2.341 1.00 0.00 C ATOM 2006 O ASN A 128 0.020 5.986 -2.274 1.00 0.00 O ATOM 2007 CB ASN A 128 1.920 6.267 -4.742 1.00 0.00 C ATOM 2008 CG ASN A 128 2.170 5.645 -6.112 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.273 5.671 -6.642 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.147 5.082 -6.723 1.00 0.00 N ATOM 0 H ASN A 128 0.308 4.112 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 128 2.939 5.034 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 128 0.966 6.794 -4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.692 7.013 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.271 4.663 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.231 5.065 -6.274 1.00 0.00 H new ATOM 2017 N PHE A 129 2.056 6.323 -1.367 1.00 0.00 N ATOM 2018 CA PHE A 129 1.632 6.895 -0.090 1.00 0.00 C ATOM 2019 C PHE A 129 1.924 8.406 -0.021 1.00 0.00 C ATOM 2020 O PHE A 129 2.927 8.872 -0.563 1.00 0.00 O ATOM 2021 CB PHE A 129 2.339 6.136 1.049 1.00 0.00 C ATOM 2022 CG PHE A 129 2.187 4.618 1.075 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.058 3.980 0.524 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.178 3.836 1.699 1.00 0.00 C ATOM 2025 CE1 PHE A 129 0.920 2.583 0.598 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.049 2.436 1.760 1.00 0.00 C ATOM 2027 CZ PHE A 129 1.922 1.808 1.206 1.00 0.00 C ATOM 0 H PHE A 129 3.071 6.272 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 129 0.553 6.784 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.403 6.368 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.970 6.529 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.292 4.569 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.043 4.314 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.043 2.105 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.818 1.844 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.826 0.733 1.247 1.00 0.00 H new ATOM 2037 N GLU A 130 1.090 9.171 0.687 1.00 0.00 N ATOM 2038 CA GLU A 130 1.255 10.608 0.926 1.00 0.00 C ATOM 2039 C GLU A 130 0.661 10.962 2.293 1.00 0.00 C ATOM 2040 O GLU A 130 -0.377 10.421 2.657 1.00 0.00 O ATOM 2041 CB GLU A 130 0.556 11.425 -0.183 1.00 0.00 C ATOM 2042 CG GLU A 130 1.360 11.442 -1.493 1.00 0.00 C ATOM 2043 CD GLU A 130 0.950 12.591 -2.426 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -0.250 12.727 -2.759 1.00 0.00 O ATOM 2045 OE2 GLU A 130 1.847 13.367 -2.840 1.00 0.00 O ATOM 0 H GLU A 130 0.250 8.794 1.126 1.00 0.00 H new ATOM 0 HA GLU A 130 2.317 10.853 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.432 11.005 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.407 12.448 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.422 11.529 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.223 10.493 -2.011 1.00 0.00 H new ATOM 2052 N VAL A 131 1.280 11.867 3.057 1.00 0.00 N ATOM 2053 CA VAL A 131 0.707 12.332 4.337 1.00 0.00 C ATOM 2054 C VAL A 131 -0.422 13.318 4.034 1.00 0.00 C ATOM 2055 O VAL A 131 -0.212 14.342 3.384 1.00 0.00 O ATOM 2056 CB VAL A 131 1.736 12.983 5.293 1.00 0.00 C ATOM 2057 CG1 VAL A 131 1.087 13.359 6.638 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.929 12.060 5.562 1.00 0.00 C ATOM 0 H VAL A 131 2.175 12.295 2.818 1.00 0.00 H new ATOM 0 HA VAL A 131 0.338 11.451 4.862 1.00 0.00 H new ATOM 0 HB VAL A 131 2.092 13.884 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.834 13.814 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.277 14.067 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.690 12.462 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.627 12.555 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.577 11.135 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.432 11.833 4.622 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.611 12.998 4.534 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.818 13.837 4.447 1.00 0.00 C ATOM 2070 C VAL A 132 -2.920 14.785 5.651 1.00 0.00 C ATOM 2071 O VAL A 132 -3.282 15.946 5.469 1.00 0.00 O ATOM 2072 CB VAL A 132 -4.063 12.931 4.302 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -5.391 13.526 4.792 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.195 12.499 2.836 1.00 0.00 C ATOM 0 H VAL A 132 -1.774 12.121 5.028 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.757 14.472 3.563 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.885 12.085 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -6.192 12.802 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -5.313 13.765 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.612 14.434 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.070 11.859 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.306 13.381 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.303 11.949 2.537 1.00 0.00 H new ATOM 2084 N MET A 133 -2.578 14.315 6.862 1.00 0.00 N ATOM 2085 CA MET A 133 -2.706 15.076 8.116 1.00 0.00 C ATOM 2086 C MET A 133 -2.036 14.332 9.281 1.00 0.00 C ATOM 2087 O MET A 133 -2.380 13.187 9.550 1.00 0.00 O ATOM 2088 CB MET A 133 -4.207 15.354 8.375 1.00 0.00 C ATOM 2089 CG MET A 133 -4.561 15.662 9.833 1.00 0.00 C ATOM 2090 SD MET A 133 -6.272 16.195 10.105 1.00 0.00 S ATOM 2091 CE MET A 133 -6.213 17.859 9.393 1.00 0.00 C ATOM 0 H MET A 133 -2.198 13.378 6.999 1.00 0.00 H new ATOM 0 HA MET A 133 -2.187 16.031 8.030 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.519 16.194 7.755 1.00 0.00 H new ATOM 0 HB3 MET A 133 -4.784 14.488 8.051 1.00 0.00 H new ATOM 0 HG2 MET A 133 -4.373 14.772 10.433 1.00 0.00 H new ATOM 0 HG3 MET A 133 -3.891 16.440 10.198 1.00 0.00 H new ATOM 0 HE1 MET A 133 -7.125 18.398 9.651 1.00 0.00 H new ATOM 0 HE2 MET A 133 -5.350 18.394 9.790 1.00 0.00 H new ATOM 0 HE3 MET A 133 -6.129 17.788 8.309 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.126 14.973 10.016 1.00 0.00 N ATOM 2102 CA GLU A 134 -0.614 14.420 11.276 1.00 0.00 C ATOM 2103 C GLU A 134 -1.638 14.640 12.402 1.00 0.00 C ATOM 2104 O GLU A 134 -2.081 15.770 12.641 1.00 0.00 O ATOM 2105 CB GLU A 134 0.749 15.042 11.615 1.00 0.00 C ATOM 2106 CG GLU A 134 1.348 14.456 12.901 1.00 0.00 C ATOM 2107 CD GLU A 134 2.759 15.000 13.162 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.914 16.221 13.404 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.723 14.198 13.148 1.00 0.00 O ATOM 0 H GLU A 134 -0.727 15.877 9.762 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.466 13.346 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.438 14.877 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.637 16.120 11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.703 14.695 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.384 13.369 12.825 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.014 13.550 13.084 1.00 0.00 N ATOM 2117 CA LYS A 135 -2.968 13.542 14.207 1.00 0.00 C ATOM 2118 C LYS A 135 -2.295 13.627 15.586 1.00 0.00 C ATOM 2119 O LYS A 135 -2.889 14.272 16.483 1.00 0.00 O ATOM 2120 CB LYS A 135 -3.867 12.297 14.092 1.00 0.00 C ATOM 2121 CG LYS A 135 -4.931 12.418 12.985 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.027 13.444 13.340 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.179 13.427 12.325 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.219 14.449 12.645 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.192 13.068 15.787 1.00 0.00 O ATOM 0 H LYS A 135 -1.654 12.621 12.865 1.00 0.00 H new ATOM 0 HA LYS A 135 -3.574 14.445 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.245 11.424 13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.363 12.126 15.047 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.450 12.711 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.389 11.444 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.417 13.229 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.591 14.442 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.785 13.611 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.635 12.437 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.979 14.405 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.614 14.259 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.790 15.396 12.634 1.00 0.00 H new TER 2139 LYS A 135