USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : +bothHN:sc= 2.21 K(o=-0.46,f=-10!) USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -2.66! USER MOD Set 2.1: A 79 ASN : amide:sc= 0.811 K(o=1.7,f=0.75) USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.882 K(o=1.7,f=-2.6!) USER MOD Set 3.1: A 51 SER OG : rot 180:sc=-0.00275 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= -0.0274 USER MOD Set 4.1: A 25 CYS SG : rot 108:sc= 0.0897 USER MOD Set 4.2: A 47 ASN :FLIP amide:sc= -0.859 F(o=-3.3!,f=-0.77) USER MOD Set 5.1: A 5 THR OG1 : rot -156:sc= -3.21! USER MOD Set 5.2: A 8 GLN :FLIP amide:sc= -1.62 F(o=-6!,f=-4.8) USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.772) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.75 (180deg=1.18) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0125 (180deg=-0.132) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00802) USER MOD Single : A 9 MET CE :methyl 138:sc= -0.124 (180deg=-0.538) USER MOD Single : A 12 MET CE :methyl -175:sc= -1.05 (180deg=-1.16) USER MOD Single : A 15 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.14) USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00209 F(o=-0.98,f=-0.0021) USER MOD Single : A 22 ASN : amide:sc= 1.24 K(o=1.2,f=-0.11) USER MOD Single : A 43 TYR OH : rot -92:sc= 1.3 USER MOD Single : A 46 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.3) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -1.2 F(o=-2,f=-1.2) USER MOD Single : A 57 MET CE :methyl 152:sc= -0.36 (180deg=-1.73!) USER MOD Single : A 62 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.61) USER MOD Single : A 64 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00744) USER MOD Single : A 69 MET CE :methyl -145:sc= -1.37 (180deg=-2.24) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.6!) USER MOD Single : A 76 MET CE :methyl 156:sc= -0.136 (180deg=-0.769) USER MOD Single : A 82 SER OG : rot 180:sc= -1.19 USER MOD Single : A 91 SER OG : rot 169:sc= 1.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 36:sc= 1.22 USER MOD Single : A 109 SER OG : rot 71:sc= 0.838 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 172:sc= 0.161 USER MOD Single : A 119 LYS NZ :NH3+ -165:sc= -0.0146 (180deg=-0.216) USER MOD Single : A 120 SER OG : rot -170:sc= -0.846 USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 2.84 (180deg=2.72) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -168:sc= 0.116 (180deg=0.0361) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.436 -4.073 4.114 1.00 0.00 N ATOM 2 CA MET A 1 -13.080 -3.810 2.701 1.00 0.00 C ATOM 3 C MET A 1 -12.102 -2.644 2.609 1.00 0.00 C ATOM 4 O MET A 1 -12.123 -1.734 3.439 1.00 0.00 O ATOM 5 CB MET A 1 -14.332 -3.508 1.867 1.00 0.00 C ATOM 6 CG MET A 1 -14.951 -2.139 2.134 1.00 0.00 C ATOM 7 SD MET A 1 -15.544 -1.943 3.828 1.00 0.00 S ATOM 8 CE MET A 1 -16.155 -0.259 3.770 1.00 0.00 C ATOM 0 H1 MET A 1 -13.934 -4.984 4.183 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.570 -4.107 4.690 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.054 -3.313 4.463 1.00 0.00 H new ATOM 0 HA MET A 1 -12.606 -4.706 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.075 -3.577 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.080 -4.276 2.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.212 -1.366 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.781 -1.982 1.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.909 -0.119 4.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.330 0.433 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.598 -0.066 2.793 1.00 0.00 H new ATOM 20 N ILE A 2 -11.237 -2.681 1.612 1.00 0.00 N ATOM 21 CA ILE A 2 -10.331 -1.573 1.359 1.00 0.00 C ATOM 22 C ILE A 2 -10.717 -0.886 0.059 1.00 0.00 C ATOM 23 O ILE A 2 -10.917 -1.540 -0.967 1.00 0.00 O ATOM 24 CB ILE A 2 -8.847 -2.020 1.314 1.00 0.00 C ATOM 25 CG1 ILE A 2 -7.941 -0.834 0.965 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.647 -3.159 0.328 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.465 -1.163 0.992 1.00 0.00 C ATOM 0 H ILE A 2 -11.142 -3.464 0.965 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.424 -0.873 2.189 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.573 -2.385 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.204 -0.468 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.135 -0.022 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.597 -3.451 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.258 -4.011 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.942 -2.833 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.889 -0.274 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.186 -1.500 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.255 -1.953 0.271 1.00 0.00 H new ATOM 39 N THR A 3 -10.859 0.424 0.107 1.00 0.00 N ATOM 40 CA THR A 3 -11.302 1.164 -1.054 1.00 0.00 C ATOM 41 C THR A 3 -10.211 2.092 -1.575 1.00 0.00 C ATOM 42 O THR A 3 -9.731 2.978 -0.864 1.00 0.00 O ATOM 43 CB THR A 3 -12.570 1.978 -0.730 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.567 1.107 -0.182 1.00 0.00 O ATOM 45 CG2 THR A 3 -13.117 2.660 -1.977 1.00 0.00 C ATOM 0 H THR A 3 -10.675 0.993 0.933 1.00 0.00 H new ATOM 0 HA THR A 3 -11.534 0.438 -1.833 1.00 0.00 H new ATOM 0 HB THR A 3 -12.310 2.749 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.374 1.623 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.011 3.227 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.364 3.335 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.368 1.906 -2.723 1.00 0.00 H new ATOM 53 N LEU A 4 -9.817 1.863 -2.816 1.00 0.00 N ATOM 54 CA LEU A 4 -8.896 2.743 -3.508 1.00 0.00 C ATOM 55 C LEU A 4 -9.401 2.980 -4.917 1.00 0.00 C ATOM 56 O LEU A 4 -10.186 2.192 -5.439 1.00 0.00 O ATOM 57 CB LEU A 4 -7.466 2.184 -3.509 1.00 0.00 C ATOM 58 CG LEU A 4 -7.313 0.707 -3.884 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.321 0.521 -5.393 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.039 0.137 -3.284 1.00 0.00 C ATOM 0 H LEU A 4 -10.126 1.064 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.853 3.695 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.868 2.776 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.041 2.330 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.165 0.165 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.211 -0.537 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.263 0.888 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.494 1.079 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.945 -0.913 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.179 0.690 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.077 0.225 -2.198 1.00 0.00 H new ATOM 72 N THR A 5 -8.961 4.058 -5.522 1.00 0.00 N ATOM 73 CA THR A 5 -9.518 4.484 -6.793 1.00 0.00 C ATOM 74 C THR A 5 -8.771 3.847 -7.959 1.00 0.00 C ATOM 75 O THR A 5 -7.693 3.274 -7.776 1.00 0.00 O ATOM 76 CB THR A 5 -9.464 6.021 -6.922 1.00 0.00 C ATOM 77 OG1 THR A 5 -8.125 6.449 -7.192 1.00 0.00 O ATOM 78 CG2 THR A 5 -9.945 6.682 -5.638 1.00 0.00 C ATOM 0 H THR A 5 -8.220 4.658 -5.159 1.00 0.00 H new ATOM 0 HA THR A 5 -10.558 4.158 -6.824 1.00 0.00 H new ATOM 0 HB THR A 5 -10.116 6.314 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.014 7.379 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.900 7.766 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.973 6.380 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.307 6.374 -4.809 1.00 0.00 H new ATOM 86 N LYS A 6 -9.356 3.933 -9.153 1.00 0.00 N ATOM 87 CA LYS A 6 -8.676 3.510 -10.371 1.00 0.00 C ATOM 88 C LYS A 6 -7.338 4.232 -10.494 1.00 0.00 C ATOM 89 O LYS A 6 -6.328 3.635 -10.864 1.00 0.00 O ATOM 90 CB LYS A 6 -9.548 3.802 -11.596 1.00 0.00 C ATOM 91 CG LYS A 6 -10.775 2.907 -11.716 1.00 0.00 C ATOM 92 CD LYS A 6 -10.387 1.461 -11.987 1.00 0.00 C ATOM 93 CE LYS A 6 -11.609 0.562 -12.131 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.462 0.939 -13.295 1.00 0.00 N ATOM 0 H LYS A 6 -10.299 4.292 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.497 2.436 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.873 4.842 -11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.941 3.691 -12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.358 2.962 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.414 3.270 -12.521 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.790 1.410 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.761 1.095 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.284 -0.472 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.203 0.612 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.170 0.195 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.945 1.838 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.867 1.047 -14.141 1.00 0.00 H new ATOM 108 N LYS A 7 -7.355 5.515 -10.152 1.00 0.00 N ATOM 109 CA LYS A 7 -6.170 6.348 -10.124 1.00 0.00 C ATOM 110 C LYS A 7 -5.113 5.777 -9.194 1.00 0.00 C ATOM 111 O LYS A 7 -3.949 5.676 -9.564 1.00 0.00 O ATOM 112 CB LYS A 7 -6.571 7.742 -9.654 1.00 0.00 C ATOM 113 CG LYS A 7 -5.402 8.657 -9.372 1.00 0.00 C ATOM 114 CD LYS A 7 -5.872 10.018 -8.883 1.00 0.00 C ATOM 115 CE LYS A 7 -4.754 10.796 -8.203 1.00 0.00 C ATOM 116 NZ LYS A 7 -3.615 11.082 -9.116 1.00 0.00 N ATOM 0 H LYS A 7 -8.207 6.008 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.742 6.389 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.204 8.202 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.173 7.650 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.754 8.203 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.806 8.779 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.254 10.594 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.699 9.887 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.152 11.736 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.393 10.229 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.914 11.671 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.172 10.188 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.962 11.588 -9.956 1.00 0.00 H new ATOM 130 N GLN A 8 -5.521 5.411 -7.984 1.00 0.00 N ATOM 131 CA GLN A 8 -4.593 4.851 -7.010 1.00 0.00 C ATOM 132 C GLN A 8 -3.966 3.570 -7.540 1.00 0.00 C ATOM 133 O GLN A 8 -2.772 3.331 -7.357 1.00 0.00 O ATOM 134 CB GLN A 8 -5.294 4.578 -5.682 1.00 0.00 C ATOM 135 CG GLN A 8 -6.024 5.784 -5.114 1.00 0.00 C ATOM 136 CD GLN A 8 -5.242 7.072 -5.254 1.00 0.00 C ATOM 137 OE1 GLN A 8 -4.353 7.330 -4.319 1.00 0.00 O flip ATOM 138 NE2 GLN A 8 -5.424 7.818 -6.214 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.483 5.492 -7.656 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.805 5.585 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.007 3.765 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.556 4.237 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.983 5.892 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.238 5.608 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.123 7.582 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.876 8.673 -6.307 1.00 0.00 H new ATOM 147 N MET A 9 -4.774 2.751 -8.204 1.00 0.00 N ATOM 148 CA MET A 9 -4.273 1.544 -8.841 1.00 0.00 C ATOM 149 C MET A 9 -3.256 1.910 -9.917 1.00 0.00 C ATOM 150 O MET A 9 -2.174 1.341 -9.975 1.00 0.00 O ATOM 151 CB MET A 9 -5.426 0.740 -9.448 1.00 0.00 C ATOM 152 CG MET A 9 -4.986 -0.560 -10.105 1.00 0.00 C ATOM 153 SD MET A 9 -4.169 -1.677 -8.949 1.00 0.00 S ATOM 154 CE MET A 9 -5.510 -2.025 -7.814 1.00 0.00 C ATOM 0 H MET A 9 -5.777 2.903 -8.314 1.00 0.00 H new ATOM 0 HA MET A 9 -3.784 0.926 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.151 0.514 -8.666 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.937 1.356 -10.188 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.855 -1.059 -10.534 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.308 -0.336 -10.929 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.509 -3.086 -7.564 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.379 -1.438 -6.905 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.459 -1.764 -8.281 1.00 0.00 H new ATOM 164 N GLU A 10 -3.606 2.892 -10.739 1.00 0.00 N ATOM 165 CA GLU A 10 -2.742 3.375 -11.797 1.00 0.00 C ATOM 166 C GLU A 10 -1.439 3.946 -11.239 1.00 0.00 C ATOM 167 O GLU A 10 -0.364 3.726 -11.797 1.00 0.00 O ATOM 168 CB GLU A 10 -3.493 4.451 -12.578 1.00 0.00 C ATOM 169 CG GLU A 10 -4.617 3.915 -13.445 1.00 0.00 C ATOM 170 CD GLU A 10 -4.124 2.941 -14.490 1.00 0.00 C ATOM 171 OE1 GLU A 10 -3.762 3.387 -15.599 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.084 1.728 -14.207 1.00 0.00 O ATOM 0 H GLU A 10 -4.503 3.375 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.479 2.543 -12.450 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.904 5.175 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.785 4.987 -13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.356 3.423 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.121 4.747 -13.937 1.00 0.00 H new ATOM 179 N GLU A 11 -1.544 4.667 -10.130 1.00 0.00 N ATOM 180 CA GLU A 11 -0.425 5.294 -9.498 1.00 0.00 C ATOM 181 C GLU A 11 0.539 4.239 -8.949 1.00 0.00 C ATOM 182 O GLU A 11 1.760 4.371 -9.075 1.00 0.00 O ATOM 183 CB GLU A 11 -0.979 6.221 -8.412 1.00 0.00 C ATOM 184 CG GLU A 11 -0.060 6.409 -7.245 1.00 0.00 C ATOM 185 CD GLU A 11 -0.279 7.730 -6.529 1.00 0.00 C ATOM 186 OE1 GLU A 11 0.351 8.731 -6.931 1.00 0.00 O ATOM 187 OE2 GLU A 11 -1.088 7.782 -5.577 1.00 0.00 O ATOM 0 H GLU A 11 -2.429 4.826 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 11 0.157 5.885 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.192 7.194 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.927 5.819 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.204 5.591 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.973 6.355 -7.589 1.00 0.00 H new ATOM 194 N MET A 12 -0.018 3.179 -8.371 1.00 0.00 N ATOM 195 CA MET A 12 0.784 2.058 -7.894 1.00 0.00 C ATOM 196 C MET A 12 1.362 1.275 -9.070 1.00 0.00 C ATOM 197 O MET A 12 2.554 0.966 -9.091 1.00 0.00 O ATOM 198 CB MET A 12 -0.056 1.128 -7.006 1.00 0.00 C ATOM 199 CG MET A 12 -0.510 1.766 -5.704 1.00 0.00 C ATOM 200 SD MET A 12 -1.406 0.624 -4.632 1.00 0.00 S ATOM 201 CE MET A 12 -2.745 0.115 -5.708 1.00 0.00 C ATOM 0 H MET A 12 -1.021 3.073 -8.222 1.00 0.00 H new ATOM 0 HA MET A 12 1.606 2.458 -7.300 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.933 0.802 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.526 0.235 -6.778 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.360 2.149 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.148 2.621 -5.928 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.434 -0.523 -5.155 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.277 0.996 -6.069 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.340 -0.437 -6.556 1.00 0.00 H new ATOM 211 N LEU A 13 0.510 0.980 -10.050 1.00 0.00 N ATOM 212 CA LEU A 13 0.896 0.190 -11.215 1.00 0.00 C ATOM 213 C LEU A 13 2.021 0.848 -12.006 1.00 0.00 C ATOM 214 O LEU A 13 2.987 0.185 -12.389 1.00 0.00 O ATOM 215 CB LEU A 13 -0.314 -0.048 -12.122 1.00 0.00 C ATOM 216 CG LEU A 13 -1.296 -1.112 -11.628 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.387 -1.347 -12.661 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.564 -2.411 -11.314 1.00 0.00 C ATOM 0 H LEU A 13 -0.464 1.281 -10.058 1.00 0.00 H new ATOM 0 HA LEU A 13 1.267 -0.767 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.851 0.893 -12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.044 -0.337 -13.110 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.763 -0.753 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.077 -2.107 -12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.929 -0.418 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.937 -1.685 -13.594 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.279 -3.156 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.070 -2.777 -12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.181 -2.231 -10.539 1.00 0.00 H new ATOM 230 N ALA A 14 1.900 2.150 -12.245 1.00 0.00 N ATOM 231 CA ALA A 14 2.923 2.883 -12.980 1.00 0.00 C ATOM 232 C ALA A 14 4.249 2.835 -12.237 1.00 0.00 C ATOM 233 O ALA A 14 5.291 2.562 -12.829 1.00 0.00 O ATOM 234 CB ALA A 14 2.494 4.325 -13.212 1.00 0.00 C ATOM 0 H ALA A 14 1.108 2.716 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 14 3.052 2.406 -13.951 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.273 4.852 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.569 4.341 -13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.332 4.815 -12.252 1.00 0.00 H new ATOM 240 N HIS A 15 4.200 3.073 -10.930 1.00 0.00 N ATOM 241 CA HIS A 15 5.400 3.030 -10.108 1.00 0.00 C ATOM 242 C HIS A 15 5.988 1.625 -10.109 1.00 0.00 C ATOM 243 O HIS A 15 7.203 1.454 -10.084 1.00 0.00 O ATOM 244 CB HIS A 15 5.094 3.458 -8.673 1.00 0.00 C ATOM 245 CG HIS A 15 6.324 3.674 -7.841 1.00 0.00 C ATOM 246 ND1 HIS A 15 6.954 4.893 -7.733 1.00 0.00 N ATOM 247 CD2 HIS A 15 7.045 2.814 -7.085 1.00 0.00 C ATOM 248 CE1 HIS A 15 8.010 4.775 -6.949 1.00 0.00 C ATOM 249 NE2 HIS A 15 8.086 3.522 -6.540 1.00 0.00 N ATOM 0 H HIS A 15 3.345 3.297 -10.421 1.00 0.00 H new ATOM 0 HA HIS A 15 6.125 3.725 -10.532 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.511 4.379 -8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.473 2.698 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.839 1.764 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.695 5.568 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.802 3.142 -5.920 1.00 0.00 H new ATOM 258 N ALA A 16 5.112 0.630 -10.126 1.00 0.00 N ATOM 259 CA ALA A 16 5.532 -0.764 -10.159 1.00 0.00 C ATOM 260 C ALA A 16 6.376 -1.049 -11.397 1.00 0.00 C ATOM 261 O ALA A 16 7.486 -1.564 -11.287 1.00 0.00 O ATOM 262 CB ALA A 16 4.324 -1.687 -10.114 1.00 0.00 C ATOM 0 H ALA A 16 4.101 0.764 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 16 6.146 -0.954 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.658 -2.724 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.764 -1.508 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.684 -1.491 -10.974 1.00 0.00 H new ATOM 268 N ARG A 17 5.864 -0.684 -12.570 1.00 0.00 N ATOM 269 CA ARG A 17 6.585 -0.931 -13.818 1.00 0.00 C ATOM 270 C ARG A 17 7.865 -0.104 -13.873 1.00 0.00 C ATOM 271 O ARG A 17 8.893 -0.574 -14.356 1.00 0.00 O ATOM 272 CB ARG A 17 5.715 -0.632 -15.045 1.00 0.00 C ATOM 273 CG ARG A 17 4.449 -1.470 -15.122 1.00 0.00 C ATOM 274 CD ARG A 17 3.831 -1.416 -16.512 1.00 0.00 C ATOM 275 NE ARG A 17 4.605 -2.179 -17.494 1.00 0.00 N ATOM 276 CZ ARG A 17 4.414 -2.118 -18.814 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.520 -1.285 -19.332 1.00 0.00 N ATOM 278 NH2 ARG A 17 5.124 -2.898 -19.620 1.00 0.00 N ATOM 0 H ARG A 17 4.962 -0.221 -12.684 1.00 0.00 H new ATOM 0 HA ARG A 17 6.843 -1.990 -13.838 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.441 0.423 -15.035 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.305 -0.799 -15.946 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.679 -2.504 -14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.728 -1.111 -14.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.814 -1.807 -16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.760 -0.378 -16.836 1.00 0.00 H new ATOM 0 HE ARG A 17 5.338 -2.797 -17.147 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.970 -0.682 -18.720 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.383 -1.247 -20.342 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.813 -3.541 -19.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.981 -2.854 -20.629 1.00 0.00 H new ATOM 292 N GLN A 18 7.801 1.120 -13.359 1.00 0.00 N ATOM 293 CA GLN A 18 8.944 2.002 -13.319 1.00 0.00 C ATOM 294 C GLN A 18 10.031 1.469 -12.386 1.00 0.00 C ATOM 295 O GLN A 18 11.211 1.775 -12.556 1.00 0.00 O ATOM 296 CB GLN A 18 8.480 3.378 -12.860 1.00 0.00 C ATOM 297 CG GLN A 18 7.641 4.121 -13.890 1.00 0.00 C ATOM 298 CD GLN A 18 7.169 5.476 -13.396 1.00 0.00 C ATOM 299 OE1 GLN A 18 7.984 6.127 -12.583 1.00 0.00 O flip ATOM 300 NE2 GLN A 18 6.090 5.946 -13.757 1.00 0.00 N flip ATOM 0 H GLN A 18 6.952 1.521 -12.961 1.00 0.00 H new ATOM 0 HA GLN A 18 9.378 2.065 -14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.900 3.268 -11.944 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.353 3.982 -12.613 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.226 4.255 -14.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.775 3.513 -14.153 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.487 5.415 -14.385 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.799 6.867 -13.428 1.00 0.00 H new ATOM 309 N ALA A 19 9.630 0.670 -11.405 1.00 0.00 N ATOM 310 CA ALA A 19 10.569 0.126 -10.432 1.00 0.00 C ATOM 311 C ALA A 19 11.048 -1.267 -10.832 1.00 0.00 C ATOM 312 O ALA A 19 12.039 -1.766 -10.298 1.00 0.00 O ATOM 313 CB ALA A 19 9.938 0.086 -9.047 1.00 0.00 C ATOM 0 H ALA A 19 8.661 0.384 -11.262 1.00 0.00 H new ATOM 0 HA ALA A 19 11.437 0.785 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.653 -0.323 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.660 1.096 -8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.048 -0.543 -9.070 1.00 0.00 H new ATOM 319 N LEU A 20 10.342 -1.892 -11.767 1.00 0.00 N ATOM 320 CA LEU A 20 10.700 -3.225 -12.232 1.00 0.00 C ATOM 321 C LEU A 20 12.113 -3.240 -12.807 1.00 0.00 C ATOM 322 O LEU A 20 12.567 -2.256 -13.394 1.00 0.00 O ATOM 323 CB LEU A 20 9.693 -3.722 -13.272 1.00 0.00 C ATOM 324 CG LEU A 20 8.308 -4.074 -12.722 1.00 0.00 C ATOM 325 CD1 LEU A 20 7.403 -4.575 -13.835 1.00 0.00 C ATOM 326 CD2 LEU A 20 8.423 -5.116 -11.618 1.00 0.00 C ATOM 0 H LEU A 20 9.517 -1.496 -12.218 1.00 0.00 H new ATOM 0 HA LEU A 20 10.674 -3.899 -11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.578 -2.955 -14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.106 -4.603 -13.762 1.00 0.00 H new ATOM 0 HG LEU A 20 7.866 -3.172 -12.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.423 -4.820 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.295 -3.799 -14.593 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.840 -5.465 -14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.430 -5.355 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.886 -6.019 -12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.036 -4.721 -10.808 1.00 0.00 H new ATOM 338 N PRO A 21 12.821 -4.369 -12.665 1.00 0.00 N ATOM 339 CA PRO A 21 12.274 -5.601 -12.105 1.00 0.00 C ATOM 340 C PRO A 21 12.482 -5.743 -10.594 1.00 0.00 C ATOM 341 O PRO A 21 12.688 -6.849 -10.097 1.00 0.00 O ATOM 342 CB PRO A 21 13.070 -6.665 -12.854 1.00 0.00 C ATOM 343 CG PRO A 21 14.407 -6.040 -13.119 1.00 0.00 C ATOM 344 CD PRO A 21 14.230 -4.541 -13.046 1.00 0.00 C ATOM 0 HA PRO A 21 11.192 -5.657 -12.222 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.170 -7.573 -12.260 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.575 -6.946 -13.784 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.139 -6.376 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.780 -6.335 -14.100 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.900 -4.095 -12.311 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.446 -4.066 -14.003 1.00 0.00 H new ATOM 352 N ASN A 22 12.405 -4.634 -9.869 1.00 0.00 N ATOM 353 CA ASN A 22 12.547 -4.664 -8.416 1.00 0.00 C ATOM 354 C ASN A 22 11.175 -4.724 -7.757 1.00 0.00 C ATOM 355 O ASN A 22 10.187 -4.255 -8.329 1.00 0.00 O ATOM 356 CB ASN A 22 13.295 -3.422 -7.909 1.00 0.00 C ATOM 357 CG ASN A 22 14.636 -3.213 -8.586 1.00 0.00 C ATOM 358 OD1 ASN A 22 15.660 -3.737 -8.149 1.00 0.00 O ATOM 359 ND2 ASN A 22 14.644 -2.424 -9.646 1.00 0.00 N ATOM 0 H ASN A 22 12.246 -3.705 -10.260 1.00 0.00 H new ATOM 0 HA ASN A 22 13.122 -5.552 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.673 -2.541 -8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.449 -3.512 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.520 -2.231 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.774 -2.008 -9.979 1.00 0.00 H new ATOM 366 N GLU A 23 11.113 -5.320 -6.573 1.00 0.00 N ATOM 367 CA GLU A 23 9.891 -5.337 -5.777 1.00 0.00 C ATOM 368 C GLU A 23 9.441 -3.913 -5.448 1.00 0.00 C ATOM 369 O GLU A 23 10.162 -3.154 -4.794 1.00 0.00 O ATOM 370 CB GLU A 23 10.108 -6.122 -4.478 1.00 0.00 C ATOM 371 CG GLU A 23 10.139 -7.642 -4.637 1.00 0.00 C ATOM 372 CD GLU A 23 11.252 -8.149 -5.537 1.00 0.00 C ATOM 373 OE1 GLU A 23 12.348 -7.552 -5.547 1.00 0.00 O ATOM 374 OE2 GLU A 23 11.029 -9.154 -6.246 1.00 0.00 O ATOM 0 H GLU A 23 11.901 -5.802 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 23 9.113 -5.826 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.048 -5.800 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.315 -5.862 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.247 -8.097 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.182 -7.974 -5.039 1.00 0.00 H new ATOM 381 N ALA A 24 8.252 -3.552 -5.909 1.00 0.00 N ATOM 382 CA ALA A 24 7.715 -2.218 -5.680 1.00 0.00 C ATOM 383 C ALA A 24 7.327 -2.024 -4.217 1.00 0.00 C ATOM 384 O ALA A 24 6.580 -2.827 -3.655 1.00 0.00 O ATOM 385 CB ALA A 24 6.523 -1.966 -6.590 1.00 0.00 C ATOM 0 H ALA A 24 7.639 -4.166 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 24 8.494 -1.493 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.132 -0.965 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.836 -2.050 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.746 -2.702 -6.384 1.00 0.00 H new ATOM 391 N CYS A 25 7.844 -0.962 -3.611 1.00 0.00 N ATOM 392 CA CYS A 25 7.572 -0.661 -2.207 1.00 0.00 C ATOM 393 C CYS A 25 6.828 0.672 -2.082 1.00 0.00 C ATOM 394 O CYS A 25 6.746 1.431 -3.052 1.00 0.00 O ATOM 395 CB CYS A 25 8.888 -0.592 -1.428 1.00 0.00 C ATOM 396 SG CYS A 25 10.003 -1.983 -1.734 1.00 0.00 S ATOM 0 H CYS A 25 8.458 -0.290 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 25 6.947 -1.453 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.402 0.334 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.665 -0.547 -0.362 1.00 0.00 H new ATOM 0 HG CYS A 25 11.009 -1.583 -2.454 1.00 0.00 H new ATOM 402 N GLY A 26 6.283 0.951 -0.903 1.00 0.00 N ATOM 403 CA GLY A 26 5.619 2.221 -0.677 1.00 0.00 C ATOM 404 C GLY A 26 4.688 2.186 0.518 1.00 0.00 C ATOM 405 O GLY A 26 4.531 1.143 1.153 1.00 0.00 O ATOM 0 H GLY A 26 6.289 0.321 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.369 2.997 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.052 2.494 -1.567 1.00 0.00 H new ATOM 409 N LEU A 27 4.064 3.324 0.810 1.00 0.00 N ATOM 410 CA LEU A 27 3.143 3.447 1.937 1.00 0.00 C ATOM 411 C LEU A 27 1.789 3.949 1.452 1.00 0.00 C ATOM 412 O LEU A 27 1.684 4.521 0.364 1.00 0.00 O ATOM 413 CB LEU A 27 3.697 4.415 2.988 1.00 0.00 C ATOM 414 CG LEU A 27 4.987 3.971 3.678 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.492 5.065 4.599 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.764 2.685 4.462 1.00 0.00 C ATOM 0 H LEU A 27 4.182 4.184 0.274 1.00 0.00 H new ATOM 0 HA LEU A 27 3.027 2.463 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.874 5.379 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.934 4.572 3.750 1.00 0.00 H new ATOM 0 HG LEU A 27 5.738 3.780 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.411 4.737 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.690 5.966 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.738 5.280 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.695 2.387 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.998 2.849 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.439 1.897 3.783 1.00 0.00 H new ATOM 428 N LEU A 28 0.760 3.745 2.261 1.00 0.00 N ATOM 429 CA LEU A 28 -0.589 4.158 1.898 1.00 0.00 C ATOM 430 C LEU A 28 -1.080 5.278 2.803 1.00 0.00 C ATOM 431 O LEU A 28 -0.985 5.180 4.029 1.00 0.00 O ATOM 432 CB LEU A 28 -1.553 2.978 1.991 1.00 0.00 C ATOM 433 CG LEU A 28 -1.240 1.805 1.071 1.00 0.00 C ATOM 434 CD1 LEU A 28 -2.219 0.679 1.324 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.288 2.236 -0.388 1.00 0.00 C ATOM 0 H LEU A 28 0.833 3.296 3.174 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.557 4.522 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.562 2.618 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.559 3.334 1.769 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.231 1.452 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.990 -0.157 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.140 0.354 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.233 1.028 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.061 1.383 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.284 2.612 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.553 3.023 -0.559 1.00 0.00 H new ATOM 447 N GLY A 29 -1.619 6.325 2.194 1.00 0.00 N ATOM 448 CA GLY A 29 -2.152 7.436 2.951 1.00 0.00 C ATOM 449 C GLY A 29 -3.601 7.712 2.611 1.00 0.00 C ATOM 450 O GLY A 29 -4.020 7.567 1.460 1.00 0.00 O ATOM 0 H GLY A 29 -1.696 6.423 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.064 7.224 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.557 8.328 2.753 1.00 0.00 H new ATOM 454 N GLY A 30 -4.371 8.095 3.608 1.00 0.00 N ATOM 455 CA GLY A 30 -5.763 8.406 3.389 1.00 0.00 C ATOM 456 C GLY A 30 -6.525 8.492 4.686 1.00 0.00 C ATOM 457 O GLY A 30 -5.949 8.812 5.727 1.00 0.00 O ATOM 0 H GLY A 30 -4.056 8.197 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.845 9.353 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.211 7.642 2.754 1.00 0.00 H new ATOM 461 N ARG A 31 -7.811 8.195 4.635 1.00 0.00 N ATOM 462 CA ARG A 31 -8.649 8.241 5.818 1.00 0.00 C ATOM 463 C ARG A 31 -9.070 6.842 6.228 1.00 0.00 C ATOM 464 O ARG A 31 -9.271 5.968 5.385 1.00 0.00 O ATOM 465 CB ARG A 31 -9.886 9.110 5.585 1.00 0.00 C ATOM 466 CG ARG A 31 -9.597 10.601 5.580 1.00 0.00 C ATOM 467 CD ARG A 31 -10.883 11.412 5.607 1.00 0.00 C ATOM 468 NE ARG A 31 -11.758 11.003 6.711 1.00 0.00 N ATOM 469 CZ ARG A 31 -12.312 11.843 7.586 1.00 0.00 C ATOM 470 NH1 ARG A 31 -12.061 13.144 7.515 1.00 0.00 N ATOM 471 NH2 ARG A 31 -13.101 11.369 8.546 1.00 0.00 N ATOM 0 H ARG A 31 -8.299 7.918 3.783 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.063 8.685 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.338 8.834 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.621 8.895 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.984 10.858 6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.020 10.859 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.644 12.471 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.410 11.291 4.661 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.956 10.008 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.442 13.505 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.487 13.783 8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.280 10.367 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.527 12.008 9.218 1.00 0.00 H new ATOM 485 N ARG A 32 -9.183 6.632 7.525 1.00 0.00 N ATOM 486 CA ARG A 32 -9.627 5.357 8.052 1.00 0.00 C ATOM 487 C ARG A 32 -10.719 5.571 9.085 1.00 0.00 C ATOM 488 O ARG A 32 -10.847 6.655 9.659 1.00 0.00 O ATOM 489 CB ARG A 32 -8.455 4.576 8.661 1.00 0.00 C ATOM 490 CG ARG A 32 -7.666 5.358 9.701 1.00 0.00 C ATOM 491 CD ARG A 32 -6.454 4.581 10.200 1.00 0.00 C ATOM 492 NE ARG A 32 -6.807 3.548 11.174 1.00 0.00 N ATOM 493 CZ ARG A 32 -5.916 2.894 11.919 1.00 0.00 C ATOM 494 NH1 ARG A 32 -4.615 3.097 11.745 1.00 0.00 N ATOM 495 NH2 ARG A 32 -6.326 2.027 12.834 1.00 0.00 N ATOM 0 H ARG A 32 -8.972 7.332 8.236 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.032 4.767 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.838 3.665 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.780 4.271 7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.338 6.305 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.315 5.598 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.950 4.118 9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.745 5.274 10.652 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.793 3.314 11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.292 3.757 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.939 2.593 12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.323 1.860 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.644 1.527 13.404 1.00 0.00 H new ATOM 509 N ASP A 33 -11.517 4.544 9.285 1.00 0.00 N ATOM 510 CA ASP A 33 -12.566 4.560 10.291 1.00 0.00 C ATOM 511 C ASP A 33 -12.317 3.404 11.253 1.00 0.00 C ATOM 512 O ASP A 33 -11.165 3.006 11.441 1.00 0.00 O ATOM 513 CB ASP A 33 -13.942 4.449 9.622 1.00 0.00 C ATOM 514 CG ASP A 33 -15.070 4.922 10.520 1.00 0.00 C ATOM 515 OD1 ASP A 33 -15.285 6.146 10.618 1.00 0.00 O ATOM 516 OD2 ASP A 33 -15.750 4.071 11.134 1.00 0.00 O ATOM 0 H ASP A 33 -11.460 3.673 8.757 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.553 5.498 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.943 5.036 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.120 3.412 9.337 1.00 0.00 H new ATOM 521 N GLY A 34 -13.369 2.885 11.878 1.00 0.00 N ATOM 522 CA GLY A 34 -13.219 1.755 12.781 1.00 0.00 C ATOM 523 C GLY A 34 -12.479 0.601 12.140 1.00 0.00 C ATOM 524 O GLY A 34 -11.520 0.070 12.704 1.00 0.00 O ATOM 0 H GLY A 34 -14.325 3.226 11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.683 2.076 13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.204 1.418 13.104 1.00 0.00 H new ATOM 528 N ASP A 35 -12.923 0.217 10.958 1.00 0.00 N ATOM 529 CA ASP A 35 -12.239 -0.811 10.177 1.00 0.00 C ATOM 530 C ASP A 35 -12.135 -0.406 8.707 1.00 0.00 C ATOM 531 O ASP A 35 -11.372 -0.992 7.944 1.00 0.00 O ATOM 532 CB ASP A 35 -12.960 -2.157 10.307 1.00 0.00 C ATOM 533 CG ASP A 35 -12.205 -3.289 9.631 1.00 0.00 C ATOM 534 OD1 ASP A 35 -11.106 -3.645 10.108 1.00 0.00 O ATOM 535 OD2 ASP A 35 -12.714 -3.834 8.624 1.00 0.00 O ATOM 0 H ASP A 35 -13.757 0.600 10.512 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.229 -0.916 10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.094 -2.393 11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.955 -2.076 9.870 1.00 0.00 H new ATOM 540 N ASP A 36 -12.895 0.602 8.308 1.00 0.00 N ATOM 541 CA ASP A 36 -12.893 1.038 6.917 1.00 0.00 C ATOM 542 C ASP A 36 -11.613 1.799 6.611 1.00 0.00 C ATOM 543 O ASP A 36 -11.138 2.591 7.425 1.00 0.00 O ATOM 544 CB ASP A 36 -14.074 1.952 6.604 1.00 0.00 C ATOM 545 CG ASP A 36 -15.365 1.563 7.307 1.00 0.00 C ATOM 546 OD1 ASP A 36 -15.394 1.554 8.559 1.00 0.00 O ATOM 547 OD2 ASP A 36 -16.370 1.305 6.614 1.00 0.00 O ATOM 0 H ASP A 36 -13.517 1.131 8.920 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.968 0.141 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.814 2.973 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.245 1.951 5.527 1.00 0.00 H new ATOM 552 N ARG A 37 -11.062 1.547 5.444 1.00 0.00 N ATOM 553 CA ARG A 37 -9.857 2.233 4.992 1.00 0.00 C ATOM 554 C ARG A 37 -10.042 2.773 3.574 1.00 0.00 C ATOM 555 O ARG A 37 -10.379 2.023 2.652 1.00 0.00 O ATOM 556 CB ARG A 37 -8.616 1.324 5.077 1.00 0.00 C ATOM 557 CG ARG A 37 -8.760 -0.030 4.390 1.00 0.00 C ATOM 558 CD ARG A 37 -9.337 -1.087 5.323 1.00 0.00 C ATOM 559 NE ARG A 37 -8.460 -1.347 6.470 1.00 0.00 N ATOM 560 CZ ARG A 37 -8.648 -2.338 7.346 1.00 0.00 C ATOM 561 NH1 ARG A 37 -9.638 -3.207 7.169 1.00 0.00 N ATOM 562 NH2 ARG A 37 -7.830 -2.473 8.388 1.00 0.00 N ATOM 0 H ARG A 37 -11.429 0.866 4.780 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.688 3.076 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.769 1.850 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.377 1.158 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.405 0.073 3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.785 -0.359 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.314 -0.761 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.493 -2.013 4.769 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.657 -0.733 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.256 -3.118 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.779 -3.963 7.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.058 -1.819 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.975 -3.230 9.056 1.00 0.00 H new ATOM 576 N TRP A 38 -9.836 4.073 3.410 1.00 0.00 N ATOM 577 CA TRP A 38 -9.964 4.716 2.107 1.00 0.00 C ATOM 578 C TRP A 38 -8.635 5.325 1.682 1.00 0.00 C ATOM 579 O TRP A 38 -8.109 6.221 2.346 1.00 0.00 O ATOM 580 CB TRP A 38 -11.035 5.812 2.148 1.00 0.00 C ATOM 581 CG TRP A 38 -12.386 5.321 2.567 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.281 4.634 1.801 1.00 0.00 C ATOM 583 CD2 TRP A 38 -12.998 5.487 3.851 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.414 4.362 2.529 1.00 0.00 N ATOM 585 CE2 TRP A 38 -14.264 4.874 3.789 1.00 0.00 C ATOM 586 CE3 TRP A 38 -12.599 6.092 5.046 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -15.133 4.852 4.878 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -13.462 6.068 6.125 1.00 0.00 C ATOM 589 CH2 TRP A 38 -14.716 5.451 6.035 1.00 0.00 C ATOM 0 H TRP A 38 -9.578 4.707 4.167 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.260 3.956 1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -10.714 6.595 2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.114 6.267 1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -13.122 4.346 0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -15.233 3.860 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -11.634 6.570 5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.101 4.379 4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -13.164 6.533 7.053 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -15.367 5.448 6.897 1.00 0.00 H new ATOM 600 N VAL A 39 -8.093 4.833 0.580 1.00 0.00 N ATOM 601 CA VAL A 39 -6.815 5.320 0.078 1.00 0.00 C ATOM 602 C VAL A 39 -7.026 6.516 -0.846 1.00 0.00 C ATOM 603 O VAL A 39 -7.444 6.358 -1.994 1.00 0.00 O ATOM 604 CB VAL A 39 -6.043 4.217 -0.683 1.00 0.00 C ATOM 605 CG1 VAL A 39 -4.658 4.706 -1.082 1.00 0.00 C ATOM 606 CG2 VAL A 39 -5.951 2.945 0.150 1.00 0.00 C ATOM 0 H VAL A 39 -8.517 4.097 0.015 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.223 5.623 0.942 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.595 3.983 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.132 3.914 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.752 5.579 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.096 4.976 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.404 2.184 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.429 3.158 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.955 2.581 0.371 1.00 0.00 H new ATOM 616 N GLU A 40 -6.754 7.712 -0.336 1.00 0.00 N ATOM 617 CA GLU A 40 -6.917 8.924 -1.129 1.00 0.00 C ATOM 618 C GLU A 40 -5.633 9.272 -1.881 1.00 0.00 C ATOM 619 O GLU A 40 -5.681 9.903 -2.937 1.00 0.00 O ATOM 620 CB GLU A 40 -7.360 10.102 -0.256 1.00 0.00 C ATOM 621 CG GLU A 40 -8.751 9.929 0.339 1.00 0.00 C ATOM 622 CD GLU A 40 -9.339 11.233 0.846 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.935 11.972 0.033 1.00 0.00 O ATOM 624 OE2 GLU A 40 -9.212 11.527 2.052 1.00 0.00 O ATOM 0 H GLU A 40 -6.422 7.868 0.616 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.699 8.729 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.642 10.235 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.340 11.014 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.414 9.506 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.704 9.213 1.160 1.00 0.00 H new ATOM 631 N ARG A 41 -4.489 8.861 -1.342 1.00 0.00 N ATOM 632 CA ARG A 41 -3.212 9.092 -2.007 1.00 0.00 C ATOM 633 C ARG A 41 -2.207 8.005 -1.647 1.00 0.00 C ATOM 634 O ARG A 41 -2.046 7.655 -0.479 1.00 0.00 O ATOM 635 CB ARG A 41 -2.639 10.462 -1.640 1.00 0.00 C ATOM 636 CG ARG A 41 -1.345 10.780 -2.375 1.00 0.00 C ATOM 637 CD ARG A 41 -1.584 10.986 -3.864 1.00 0.00 C ATOM 638 NE ARG A 41 -0.447 10.552 -4.678 1.00 0.00 N ATOM 639 CZ ARG A 41 0.659 11.268 -4.884 1.00 0.00 C ATOM 640 NH1 ARG A 41 0.822 12.452 -4.297 1.00 0.00 N ATOM 641 NH2 ARG A 41 1.602 10.791 -5.681 1.00 0.00 N ATOM 0 H ARG A 41 -4.420 8.369 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.395 9.065 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.377 11.231 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.459 10.499 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.895 11.678 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.633 9.967 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.475 10.435 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.782 12.041 -4.055 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.505 9.635 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.096 12.821 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.672 12.990 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.479 9.884 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.452 11.331 -5.845 1.00 0.00 H new ATOM 655 N VAL A 42 -1.534 7.473 -2.653 1.00 0.00 N ATOM 656 CA VAL A 42 -0.495 6.486 -2.431 1.00 0.00 C ATOM 657 C VAL A 42 0.864 7.174 -2.420 1.00 0.00 C ATOM 658 O VAL A 42 1.147 8.016 -3.269 1.00 0.00 O ATOM 659 CB VAL A 42 -0.509 5.382 -3.515 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.554 4.327 -3.234 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.890 4.742 -3.614 1.00 0.00 C ATOM 0 H VAL A 42 -1.690 7.710 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.684 6.010 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.277 5.847 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.523 3.563 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.538 4.795 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.363 3.867 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.878 3.968 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.154 4.297 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.625 5.502 -3.876 1.00 0.00 H new ATOM 671 N TYR A 43 1.690 6.836 -1.442 1.00 0.00 N ATOM 672 CA TYR A 43 3.026 7.399 -1.356 1.00 0.00 C ATOM 673 C TYR A 43 4.081 6.308 -1.478 1.00 0.00 C ATOM 674 O TYR A 43 4.522 5.736 -0.481 1.00 0.00 O ATOM 675 CB TYR A 43 3.217 8.191 -0.059 1.00 0.00 C ATOM 676 CG TYR A 43 2.505 9.528 -0.063 1.00 0.00 C ATOM 677 CD1 TYR A 43 2.722 10.443 -1.084 1.00 0.00 C ATOM 678 CD2 TYR A 43 1.623 9.878 0.952 1.00 0.00 C ATOM 679 CE1 TYR A 43 2.078 11.664 -1.098 1.00 0.00 C ATOM 680 CE2 TYR A 43 0.975 11.100 0.946 1.00 0.00 C ATOM 681 CZ TYR A 43 1.207 11.988 -0.084 1.00 0.00 C ATOM 682 OH TYR A 43 0.564 13.205 -0.106 1.00 0.00 O ATOM 0 H TYR A 43 1.459 6.176 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 43 3.147 8.091 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.853 7.596 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.282 8.355 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.407 10.195 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.440 9.184 1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.257 12.362 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.292 11.357 1.742 1.00 0.00 H new ATOM 0 HH TYR A 43 1.091 13.863 0.394 1.00 0.00 H new ATOM 692 N PRO A 44 4.458 5.963 -2.712 1.00 0.00 N ATOM 693 CA PRO A 44 5.487 4.973 -2.973 1.00 0.00 C ATOM 694 C PRO A 44 6.883 5.564 -2.835 1.00 0.00 C ATOM 695 O PRO A 44 7.409 6.158 -3.778 1.00 0.00 O ATOM 696 CB PRO A 44 5.224 4.538 -4.425 1.00 0.00 C ATOM 697 CG PRO A 44 4.044 5.336 -4.895 1.00 0.00 C ATOM 698 CD PRO A 44 3.915 6.502 -3.959 1.00 0.00 C ATOM 0 HA PRO A 44 5.448 4.145 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.096 4.727 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.017 3.469 -4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.190 5.676 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.138 4.730 -4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.479 7.367 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.879 6.821 -3.847 1.00 0.00 H new ATOM 706 N LEU A 45 7.463 5.426 -1.649 1.00 0.00 N ATOM 707 CA LEU A 45 8.804 5.936 -1.392 1.00 0.00 C ATOM 708 C LEU A 45 9.831 5.174 -2.214 1.00 0.00 C ATOM 709 O LEU A 45 9.527 4.134 -2.802 1.00 0.00 O ATOM 710 CB LEU A 45 9.167 5.843 0.097 1.00 0.00 C ATOM 711 CG LEU A 45 8.403 6.784 1.036 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.350 8.193 0.461 1.00 0.00 C ATOM 713 CD2 LEU A 45 7.002 6.257 1.319 1.00 0.00 C ATOM 0 H LEU A 45 7.026 4.966 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 45 8.813 6.986 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.000 4.818 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.233 6.043 0.204 1.00 0.00 H new ATOM 0 HG LEU A 45 8.940 6.824 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.803 8.844 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.364 8.572 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.845 8.173 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.483 6.944 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.449 6.174 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.070 5.276 1.789 1.00 0.00 H new ATOM 725 N ASN A 46 11.045 5.695 -2.249 1.00 0.00 N ATOM 726 CA ASN A 46 12.118 5.083 -3.019 1.00 0.00 C ATOM 727 C ASN A 46 12.448 3.697 -2.479 1.00 0.00 C ATOM 728 O ASN A 46 12.374 3.451 -1.273 1.00 0.00 O ATOM 729 CB ASN A 46 13.358 5.982 -3.003 1.00 0.00 C ATOM 730 CG ASN A 46 14.491 5.458 -3.867 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.271 4.718 -4.829 1.00 0.00 O ATOM 732 ND2 ASN A 46 15.705 5.872 -3.551 1.00 0.00 N ATOM 0 H ASN A 46 11.315 6.544 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 46 11.784 4.970 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.080 6.979 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.711 6.085 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.505 5.580 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.842 6.484 -2.746 1.00 0.00 H new ATOM 739 N ASN A 47 12.789 2.792 -3.382 1.00 0.00 N ATOM 740 CA ASN A 47 13.117 1.424 -3.016 1.00 0.00 C ATOM 741 C ASN A 47 14.546 1.343 -2.498 1.00 0.00 C ATOM 742 O ASN A 47 15.504 1.460 -3.268 1.00 0.00 O ATOM 743 CB ASN A 47 12.934 0.489 -4.219 1.00 0.00 C ATOM 744 CG ASN A 47 13.474 -0.912 -3.968 1.00 0.00 C ATOM 745 OD1 ASN A 47 12.641 -1.794 -3.440 1.00 0.00 O flip ATOM 746 ND2 ASN A 47 14.638 -1.199 -4.252 1.00 0.00 N flip ATOM 0 H ASN A 47 12.846 2.983 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 47 12.440 1.106 -2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.874 0.426 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.438 0.917 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.253 -0.494 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.987 -2.142 -4.081 1.00 0.00 H new ATOM 753 N LEU A 48 14.687 1.189 -1.190 1.00 0.00 N ATOM 754 CA LEU A 48 15.991 0.997 -0.588 1.00 0.00 C ATOM 755 C LEU A 48 16.498 -0.398 -0.905 1.00 0.00 C ATOM 756 O LEU A 48 17.618 -0.566 -1.384 1.00 0.00 O ATOM 757 CB LEU A 48 15.923 1.223 0.923 1.00 0.00 C ATOM 758 CG LEU A 48 15.949 2.688 1.380 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.306 3.313 1.093 1.00 0.00 C ATOM 760 CD2 LEU A 48 14.847 3.503 0.719 1.00 0.00 C ATOM 0 H LEU A 48 13.912 1.194 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 48 16.687 1.726 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.011 0.760 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.760 0.702 1.388 1.00 0.00 H new ATOM 0 HG LEU A 48 15.773 2.697 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.305 4.352 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.080 2.762 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.506 3.273 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.898 4.534 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.976 3.479 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.876 3.080 0.978 1.00 0.00 H new ATOM 772 N ASP A 49 15.660 -1.399 -0.666 1.00 0.00 N ATOM 773 CA ASP A 49 15.991 -2.760 -1.045 1.00 0.00 C ATOM 774 C ASP A 49 14.787 -3.391 -1.696 1.00 0.00 C ATOM 775 O ASP A 49 13.680 -3.301 -1.165 1.00 0.00 O ATOM 776 CB ASP A 49 16.400 -3.613 0.157 1.00 0.00 C ATOM 777 CG ASP A 49 17.303 -4.761 -0.247 1.00 0.00 C ATOM 778 OD1 ASP A 49 16.815 -5.723 -0.873 1.00 0.00 O ATOM 779 OD2 ASP A 49 18.515 -4.691 0.046 1.00 0.00 O ATOM 0 H ASP A 49 14.752 -1.292 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 49 16.837 -2.717 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.912 -2.988 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.508 -4.007 0.643 1.00 0.00 H new ATOM 784 N GLN A 50 14.990 -3.993 -2.854 1.00 0.00 N ATOM 785 CA GLN A 50 13.928 -4.732 -3.506 1.00 0.00 C ATOM 786 C GLN A 50 13.470 -5.849 -2.578 1.00 0.00 C ATOM 787 O GLN A 50 12.282 -6.001 -2.319 1.00 0.00 O ATOM 788 CB GLN A 50 14.405 -5.286 -4.856 1.00 0.00 C ATOM 789 CG GLN A 50 15.632 -6.181 -4.761 1.00 0.00 C ATOM 790 CD GLN A 50 16.107 -6.681 -6.111 1.00 0.00 C ATOM 791 OE1 GLN A 50 15.323 -6.848 -7.042 1.00 0.00 O ATOM 792 NE2 GLN A 50 17.404 -6.927 -6.224 1.00 0.00 N ATOM 0 H GLN A 50 15.876 -3.984 -3.359 1.00 0.00 H new ATOM 0 HA GLN A 50 13.086 -4.070 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.592 -5.850 -5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.628 -4.452 -5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.440 -5.630 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.403 -7.035 -4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.023 -6.776 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.783 -7.268 -7.107 1.00 0.00 H new ATOM 801 N SER A 51 14.455 -6.541 -2.004 1.00 0.00 N ATOM 802 CA SER A 51 14.235 -7.692 -1.139 1.00 0.00 C ATOM 803 C SER A 51 13.500 -8.818 -1.883 1.00 0.00 C ATOM 804 O SER A 51 12.600 -8.572 -2.675 1.00 0.00 O ATOM 805 CB SER A 51 13.478 -7.252 0.114 1.00 0.00 C ATOM 806 OG SER A 51 14.128 -6.152 0.730 1.00 0.00 O ATOM 0 H SER A 51 15.441 -6.311 -2.131 1.00 0.00 H new ATOM 0 HA SER A 51 15.200 -8.097 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.457 -6.977 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.413 -8.083 0.817 1.00 0.00 H new ATOM 0 HG SER A 51 13.629 -5.883 1.529 1.00 0.00 H new ATOM 812 N PRO A 52 13.860 -10.081 -1.612 1.00 0.00 N ATOM 813 CA PRO A 52 13.349 -11.237 -2.369 1.00 0.00 C ATOM 814 C PRO A 52 11.821 -11.309 -2.414 1.00 0.00 C ATOM 815 O PRO A 52 11.236 -11.714 -3.417 1.00 0.00 O ATOM 816 CB PRO A 52 13.917 -12.447 -1.612 1.00 0.00 C ATOM 817 CG PRO A 52 14.393 -11.911 -0.304 1.00 0.00 C ATOM 818 CD PRO A 52 14.797 -10.491 -0.561 1.00 0.00 C ATOM 0 HA PRO A 52 13.651 -11.183 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.155 -13.213 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.733 -12.909 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.606 -11.963 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.233 -12.493 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.701 -9.874 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.834 -10.417 -0.890 1.00 0.00 H new ATOM 826 N GLU A 53 11.183 -10.926 -1.316 1.00 0.00 N ATOM 827 CA GLU A 53 9.728 -10.989 -1.213 1.00 0.00 C ATOM 828 C GLU A 53 9.198 -9.807 -0.419 1.00 0.00 C ATOM 829 O GLU A 53 7.989 -9.672 -0.221 1.00 0.00 O ATOM 830 CB GLU A 53 9.308 -12.274 -0.495 1.00 0.00 C ATOM 831 CG GLU A 53 9.817 -13.546 -1.143 1.00 0.00 C ATOM 832 CD GLU A 53 9.654 -14.746 -0.243 1.00 0.00 C ATOM 833 OE1 GLU A 53 10.099 -14.679 0.924 1.00 0.00 O ATOM 834 OE2 GLU A 53 9.078 -15.754 -0.686 1.00 0.00 O ATOM 0 H GLU A 53 11.649 -10.568 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 53 9.319 -10.969 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.667 -12.235 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.220 -12.313 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.280 -13.717 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.870 -13.426 -1.399 1.00 0.00 H new ATOM 841 N HIS A 54 10.103 -8.950 0.019 1.00 0.00 N ATOM 842 CA HIS A 54 9.791 -7.975 1.055 1.00 0.00 C ATOM 843 C HIS A 54 9.944 -6.555 0.528 1.00 0.00 C ATOM 844 O HIS A 54 9.951 -6.333 -0.677 1.00 0.00 O ATOM 845 CB HIS A 54 10.699 -8.190 2.277 1.00 0.00 C ATOM 846 CG HIS A 54 10.679 -9.594 2.813 1.00 0.00 C ATOM 847 ND1 HIS A 54 9.716 -10.542 2.774 1.00 0.00 N flip ATOM 848 CD2 HIS A 54 11.747 -10.169 3.468 1.00 0.00 C flip ATOM 849 CE1 HIS A 54 10.213 -11.659 3.395 1.00 0.00 C flip ATOM 850 NE2 HIS A 54 11.441 -11.407 3.804 1.00 0.00 N flip ATOM 0 H HIS A 54 11.062 -8.908 -0.326 1.00 0.00 H new ATOM 0 HA HIS A 54 8.753 -8.117 1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 54 11.722 -7.930 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 54 10.394 -7.505 3.068 1.00 0.00 H new ATOM 0 HD1 HIS A 54 8.789 -10.444 2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 54 12.688 -9.681 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 54 9.685 -12.592 3.527 1.00 0.00 H new ATOM 859 N PHE A 55 10.026 -5.604 1.443 1.00 0.00 N ATOM 860 CA PHE A 55 10.182 -4.201 1.093 1.00 0.00 C ATOM 861 C PHE A 55 11.106 -3.527 2.092 1.00 0.00 C ATOM 862 O PHE A 55 11.257 -4.000 3.221 1.00 0.00 O ATOM 863 CB PHE A 55 8.817 -3.502 1.086 1.00 0.00 C ATOM 864 CG PHE A 55 8.137 -3.476 2.431 1.00 0.00 C ATOM 865 CD1 PHE A 55 7.506 -4.602 2.930 1.00 0.00 C ATOM 866 CD2 PHE A 55 8.138 -2.323 3.197 1.00 0.00 C ATOM 867 CE1 PHE A 55 6.888 -4.581 4.166 1.00 0.00 C ATOM 868 CE2 PHE A 55 7.523 -2.294 4.434 1.00 0.00 C ATOM 869 CZ PHE A 55 6.896 -3.424 4.919 1.00 0.00 C ATOM 0 H PHE A 55 9.987 -5.781 2.447 1.00 0.00 H new ATOM 0 HA PHE A 55 10.616 -4.128 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.946 -2.478 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.166 -4.004 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.496 -5.510 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.626 -1.435 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.400 -5.468 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.533 -1.388 5.021 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.413 -3.403 5.885 1.00 0.00 H new ATOM 879 N SER A 56 11.738 -2.444 1.675 1.00 0.00 N ATOM 880 CA SER A 56 12.563 -1.657 2.572 1.00 0.00 C ATOM 881 C SER A 56 12.586 -0.201 2.144 1.00 0.00 C ATOM 882 O SER A 56 12.883 0.123 0.990 1.00 0.00 O ATOM 883 CB SER A 56 13.991 -2.188 2.622 1.00 0.00 C ATOM 884 OG SER A 56 14.022 -3.559 2.984 1.00 0.00 O ATOM 0 H SER A 56 11.695 -2.090 0.719 1.00 0.00 H new ATOM 0 HA SER A 56 12.124 -1.735 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.464 -2.057 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.571 -1.608 3.339 1.00 0.00 H new ATOM 0 HG SER A 56 14.951 -3.871 3.006 1.00 0.00 H new ATOM 890 N MET A 57 12.265 0.663 3.085 1.00 0.00 N ATOM 891 CA MET A 57 12.363 2.097 2.896 1.00 0.00 C ATOM 892 C MET A 57 13.184 2.677 4.033 1.00 0.00 C ATOM 893 O MET A 57 13.334 2.043 5.076 1.00 0.00 O ATOM 894 CB MET A 57 10.984 2.773 2.859 1.00 0.00 C ATOM 895 CG MET A 57 10.133 2.415 1.648 1.00 0.00 C ATOM 896 SD MET A 57 9.258 0.850 1.836 1.00 0.00 S ATOM 897 CE MET A 57 8.219 1.224 3.247 1.00 0.00 C ATOM 0 H MET A 57 11.927 0.389 4.008 1.00 0.00 H new ATOM 0 HA MET A 57 12.840 2.285 1.934 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.438 2.503 3.763 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.123 3.854 2.882 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.409 3.210 1.472 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.771 2.364 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.312 0.622 3.201 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.759 0.997 4.166 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.954 2.281 3.234 1.00 0.00 H new ATOM 907 N ASP A 58 13.720 3.865 3.834 1.00 0.00 N ATOM 908 CA ASP A 58 14.520 4.505 4.863 1.00 0.00 C ATOM 909 C ASP A 58 13.621 5.322 5.785 1.00 0.00 C ATOM 910 O ASP A 58 12.625 5.894 5.331 1.00 0.00 O ATOM 911 CB ASP A 58 15.586 5.399 4.223 1.00 0.00 C ATOM 912 CG ASP A 58 16.580 5.930 5.235 1.00 0.00 C ATOM 913 OD1 ASP A 58 16.324 7.002 5.821 1.00 0.00 O ATOM 914 OD2 ASP A 58 17.618 5.269 5.457 1.00 0.00 O ATOM 0 H ASP A 58 13.618 4.405 2.975 1.00 0.00 H new ATOM 0 HA ASP A 58 15.022 3.738 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.118 4.834 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.100 6.236 3.721 1.00 0.00 H new ATOM 919 N PRO A 59 13.935 5.366 7.095 1.00 0.00 N ATOM 920 CA PRO A 59 13.210 6.184 8.070 1.00 0.00 C ATOM 921 C PRO A 59 12.984 7.614 7.583 1.00 0.00 C ATOM 922 O PRO A 59 11.915 8.183 7.798 1.00 0.00 O ATOM 923 CB PRO A 59 14.113 6.179 9.315 1.00 0.00 C ATOM 924 CG PRO A 59 15.356 5.444 8.925 1.00 0.00 C ATOM 925 CD PRO A 59 14.993 4.589 7.744 1.00 0.00 C ATOM 0 HA PRO A 59 12.213 5.784 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.345 7.196 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.618 5.689 10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.154 6.141 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.720 4.832 9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.844 4.432 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.642 3.604 8.050 1.00 0.00 H new ATOM 933 N ARG A 60 13.980 8.181 6.905 1.00 0.00 N ATOM 934 CA ARG A 60 13.868 9.539 6.379 1.00 0.00 C ATOM 935 C ARG A 60 12.787 9.615 5.306 1.00 0.00 C ATOM 936 O ARG A 60 11.978 10.546 5.285 1.00 0.00 O ATOM 937 CB ARG A 60 15.205 10.009 5.803 1.00 0.00 C ATOM 938 CG ARG A 60 16.299 10.174 6.843 1.00 0.00 C ATOM 939 CD ARG A 60 17.610 10.596 6.202 1.00 0.00 C ATOM 940 NE ARG A 60 18.647 10.870 7.196 1.00 0.00 N ATOM 941 CZ ARG A 60 19.904 11.194 6.893 1.00 0.00 C ATOM 942 NH1 ARG A 60 20.300 11.223 5.623 1.00 0.00 N ATOM 943 NH2 ARG A 60 20.773 11.460 7.860 1.00 0.00 N ATOM 0 H ARG A 60 14.870 7.723 6.708 1.00 0.00 H new ATOM 0 HA ARG A 60 13.591 10.195 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.537 9.293 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.055 10.961 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.995 10.919 7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 60 16.439 9.235 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 60 17.953 9.810 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.446 11.487 5.595 1.00 0.00 H new ATOM 0 HE ARG A 60 18.393 10.809 8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 60 19.641 10.997 4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.263 11.471 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 60 20.479 11.417 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 60 21.735 11.708 7.627 1.00 0.00 H new ATOM 957 N GLU A 61 12.768 8.621 4.429 1.00 0.00 N ATOM 958 CA GLU A 61 11.783 8.553 3.361 1.00 0.00 C ATOM 959 C GLU A 61 10.377 8.424 3.932 1.00 0.00 C ATOM 960 O GLU A 61 9.445 9.090 3.476 1.00 0.00 O ATOM 961 CB GLU A 61 12.084 7.372 2.434 1.00 0.00 C ATOM 962 CG GLU A 61 13.316 7.579 1.570 1.00 0.00 C ATOM 963 CD GLU A 61 13.113 8.672 0.542 1.00 0.00 C ATOM 964 OE1 GLU A 61 13.179 9.864 0.912 1.00 0.00 O ATOM 965 OE2 GLU A 61 12.874 8.342 -0.636 1.00 0.00 O ATOM 0 H GLU A 61 13.430 7.845 4.438 1.00 0.00 H new ATOM 0 HA GLU A 61 11.839 9.477 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.219 6.473 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.223 7.198 1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.165 7.832 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.564 6.646 1.063 1.00 0.00 H new ATOM 972 N GLN A 62 10.240 7.587 4.949 1.00 0.00 N ATOM 973 CA GLN A 62 8.947 7.354 5.577 1.00 0.00 C ATOM 974 C GLN A 62 8.490 8.591 6.338 1.00 0.00 C ATOM 975 O GLN A 62 7.333 8.994 6.244 1.00 0.00 O ATOM 976 CB GLN A 62 9.013 6.151 6.517 1.00 0.00 C ATOM 977 CG GLN A 62 9.288 4.839 5.801 1.00 0.00 C ATOM 978 CD GLN A 62 9.352 3.653 6.745 1.00 0.00 C ATOM 979 OE1 GLN A 62 10.061 2.684 6.490 1.00 0.00 O ATOM 980 NE2 GLN A 62 8.606 3.718 7.838 1.00 0.00 N ATOM 0 H GLN A 62 11.009 7.057 5.358 1.00 0.00 H new ATOM 0 HA GLN A 62 8.222 7.141 4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.793 6.322 7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.070 6.070 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.508 4.665 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.231 4.917 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.030 4.541 8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.608 2.945 8.503 1.00 0.00 H new ATOM 989 N LEU A 63 9.416 9.201 7.070 1.00 0.00 N ATOM 990 CA LEU A 63 9.121 10.399 7.845 1.00 0.00 C ATOM 991 C LEU A 63 8.658 11.533 6.934 1.00 0.00 C ATOM 992 O LEU A 63 7.748 12.289 7.277 1.00 0.00 O ATOM 993 CB LEU A 63 10.360 10.828 8.639 1.00 0.00 C ATOM 994 CG LEU A 63 10.175 12.035 9.559 1.00 0.00 C ATOM 995 CD1 LEU A 63 9.109 11.755 10.607 1.00 0.00 C ATOM 996 CD2 LEU A 63 11.492 12.394 10.227 1.00 0.00 C ATOM 0 H LEU A 63 10.382 8.883 7.142 1.00 0.00 H new ATOM 0 HA LEU A 63 8.314 10.170 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.693 9.983 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.161 11.051 7.934 1.00 0.00 H new ATOM 0 HG LEU A 63 9.846 12.881 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.994 12.627 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.161 11.540 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.407 10.897 11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.346 13.255 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.844 11.547 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.232 12.637 9.465 1.00 0.00 H new ATOM 1008 N THR A 64 9.278 11.635 5.765 1.00 0.00 N ATOM 1009 CA THR A 64 8.908 12.655 4.795 1.00 0.00 C ATOM 1010 C THR A 64 7.506 12.393 4.240 1.00 0.00 C ATOM 1011 O THR A 64 6.721 13.323 4.038 1.00 0.00 O ATOM 1012 CB THR A 64 9.927 12.721 3.639 1.00 0.00 C ATOM 1013 OG1 THR A 64 11.250 12.905 4.166 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.604 13.863 2.684 1.00 0.00 C ATOM 0 H THR A 64 10.038 11.024 5.467 1.00 0.00 H new ATOM 0 HA THR A 64 8.909 13.615 5.311 1.00 0.00 H new ATOM 0 HB THR A 64 9.872 11.782 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.586 12.052 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.340 13.884 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.610 13.715 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.631 14.809 3.225 1.00 0.00 H new ATOM 1022 N ALA A 65 7.187 11.122 4.017 1.00 0.00 N ATOM 1023 CA ALA A 65 5.877 10.746 3.501 1.00 0.00 C ATOM 1024 C ALA A 65 4.782 11.062 4.514 1.00 0.00 C ATOM 1025 O ALA A 65 3.745 11.627 4.167 1.00 0.00 O ATOM 1026 CB ALA A 65 5.850 9.268 3.141 1.00 0.00 C ATOM 0 H ALA A 65 7.817 10.337 4.185 1.00 0.00 H new ATOM 0 HA ALA A 65 5.689 11.330 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.864 9.005 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.602 9.065 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.064 8.673 4.029 1.00 0.00 H new ATOM 1032 N VAL A 66 5.029 10.706 5.770 1.00 0.00 N ATOM 1033 CA VAL A 66 4.082 10.981 6.846 1.00 0.00 C ATOM 1034 C VAL A 66 3.917 12.485 7.041 1.00 0.00 C ATOM 1035 O VAL A 66 2.830 12.967 7.350 1.00 0.00 O ATOM 1036 CB VAL A 66 4.527 10.327 8.175 1.00 0.00 C ATOM 1037 CG1 VAL A 66 3.531 10.615 9.289 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.700 8.826 7.996 1.00 0.00 C ATOM 0 H VAL A 66 5.878 10.226 6.069 1.00 0.00 H new ATOM 0 HA VAL A 66 3.124 10.548 6.557 1.00 0.00 H new ATOM 0 HB VAL A 66 5.486 10.760 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.870 10.143 10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.455 11.692 9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.554 10.217 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.013 8.381 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.753 8.385 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.457 8.635 7.236 1.00 0.00 H new ATOM 1048 N LYS A 67 5.004 13.219 6.833 1.00 0.00 N ATOM 1049 CA LYS A 67 4.998 14.674 6.961 1.00 0.00 C ATOM 1050 C LYS A 67 3.978 15.298 6.008 1.00 0.00 C ATOM 1051 O LYS A 67 3.171 16.140 6.403 1.00 0.00 O ATOM 1052 CB LYS A 67 6.397 15.218 6.655 1.00 0.00 C ATOM 1053 CG LYS A 67 6.551 16.720 6.844 1.00 0.00 C ATOM 1054 CD LYS A 67 7.866 17.220 6.261 1.00 0.00 C ATOM 1055 CE LYS A 67 9.072 16.554 6.913 1.00 0.00 C ATOM 1056 NZ LYS A 67 9.249 16.973 8.326 1.00 0.00 N ATOM 0 H LYS A 67 5.909 12.827 6.573 1.00 0.00 H new ATOM 0 HA LYS A 67 4.718 14.935 7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.118 14.709 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.652 14.967 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.719 17.236 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.507 16.961 7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.883 17.028 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.933 18.300 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.955 15.471 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.971 16.800 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.109 16.535 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.337 18.008 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.425 16.670 8.884 1.00 0.00 H new ATOM 1070 N ASP A 68 4.009 14.858 4.759 1.00 0.00 N ATOM 1071 CA ASP A 68 3.104 15.374 3.736 1.00 0.00 C ATOM 1072 C ASP A 68 1.690 14.869 3.988 1.00 0.00 C ATOM 1073 O ASP A 68 0.705 15.585 3.800 1.00 0.00 O ATOM 1074 CB ASP A 68 3.581 14.921 2.355 1.00 0.00 C ATOM 1075 CG ASP A 68 2.919 15.681 1.224 1.00 0.00 C ATOM 1076 OD1 ASP A 68 1.761 15.368 0.888 1.00 0.00 O ATOM 1077 OD2 ASP A 68 3.570 16.584 0.648 1.00 0.00 O ATOM 0 H ASP A 68 4.654 14.141 4.426 1.00 0.00 H new ATOM 0 HA ASP A 68 3.101 16.463 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.661 15.050 2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.379 13.856 2.238 1.00 0.00 H new ATOM 1082 N MET A 69 1.613 13.625 4.430 1.00 0.00 N ATOM 1083 CA MET A 69 0.345 12.963 4.710 1.00 0.00 C ATOM 1084 C MET A 69 -0.408 13.678 5.828 1.00 0.00 C ATOM 1085 O MET A 69 -1.595 13.992 5.700 1.00 0.00 O ATOM 1086 CB MET A 69 0.637 11.524 5.126 1.00 0.00 C ATOM 1087 CG MET A 69 -0.540 10.576 5.001 1.00 0.00 C ATOM 1088 SD MET A 69 -0.113 8.900 5.507 1.00 0.00 S ATOM 1089 CE MET A 69 1.298 8.577 4.447 1.00 0.00 C ATOM 0 H MET A 69 2.431 13.041 4.606 1.00 0.00 H new ATOM 0 HA MET A 69 -0.279 12.985 3.816 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.458 11.144 4.518 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.979 11.522 6.161 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.365 10.940 5.613 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.889 10.565 3.968 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.300 7.527 4.154 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.234 9.202 3.556 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.218 8.806 4.986 1.00 0.00 H new ATOM 1099 N ARG A 70 0.306 13.954 6.909 1.00 0.00 N ATOM 1100 CA ARG A 70 -0.271 14.608 8.077 1.00 0.00 C ATOM 1101 C ARG A 70 -0.638 16.058 7.761 1.00 0.00 C ATOM 1102 O ARG A 70 -1.558 16.624 8.354 1.00 0.00 O ATOM 1103 CB ARG A 70 0.720 14.548 9.245 1.00 0.00 C ATOM 1104 CG ARG A 70 0.211 15.189 10.526 1.00 0.00 C ATOM 1105 CD ARG A 70 1.258 15.134 11.624 1.00 0.00 C ATOM 1106 NE ARG A 70 0.837 15.868 12.818 1.00 0.00 N ATOM 1107 CZ ARG A 70 1.486 16.927 13.305 1.00 0.00 C ATOM 1108 NH1 ARG A 70 2.623 17.327 12.743 1.00 0.00 N ATOM 1109 NH2 ARG A 70 1.004 17.578 14.361 1.00 0.00 N ATOM 0 H ARG A 70 1.297 13.733 7.003 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.184 14.083 8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.965 13.505 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.645 15.041 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.062 16.226 10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.693 14.678 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.453 14.094 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.195 15.551 11.253 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.001 15.552 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.999 16.824 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.119 18.137 13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.137 17.267 14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.502 18.387 14.732 1.00 0.00 H new ATOM 1123 N LYS A 71 0.075 16.638 6.803 1.00 0.00 N ATOM 1124 CA LYS A 71 -0.143 18.022 6.393 1.00 0.00 C ATOM 1125 C LYS A 71 -1.560 18.222 5.855 1.00 0.00 C ATOM 1126 O LYS A 71 -2.198 19.242 6.118 1.00 0.00 O ATOM 1127 CB LYS A 71 0.877 18.397 5.318 1.00 0.00 C ATOM 1128 CG LYS A 71 0.774 19.833 4.831 1.00 0.00 C ATOM 1129 CD LYS A 71 1.751 20.092 3.698 1.00 0.00 C ATOM 1130 CE LYS A 71 1.584 21.485 3.114 1.00 0.00 C ATOM 1131 NZ LYS A 71 2.440 21.679 1.916 1.00 0.00 N ATOM 0 H LYS A 71 0.818 16.165 6.289 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.019 18.665 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.880 18.230 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.753 17.727 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.243 20.035 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.977 20.516 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.771 19.971 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.603 19.349 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.540 21.646 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.838 22.230 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.302 22.640 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.438 21.550 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.180 20.984 1.188 1.00 0.00 H new ATOM 1145 N ASN A 72 -2.041 17.243 5.100 1.00 0.00 N ATOM 1146 CA ASN A 72 -3.386 17.309 4.526 1.00 0.00 C ATOM 1147 C ASN A 72 -4.418 16.742 5.489 1.00 0.00 C ATOM 1148 O ASN A 72 -5.613 17.023 5.374 1.00 0.00 O ATOM 1149 CB ASN A 72 -3.452 16.550 3.195 1.00 0.00 C ATOM 1150 CG ASN A 72 -2.709 17.252 2.074 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -1.729 17.962 2.302 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -3.166 17.049 0.847 1.00 0.00 N ATOM 0 H ASN A 72 -1.524 16.394 4.869 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.613 18.360 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.034 15.552 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.496 16.422 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.703 17.488 0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.981 16.454 0.698 1.00 0.00 H new ATOM 1159 N GLY A 73 -3.953 15.951 6.442 1.00 0.00 N ATOM 1160 CA GLY A 73 -4.848 15.374 7.421 1.00 0.00 C ATOM 1161 C GLY A 73 -5.126 13.911 7.159 1.00 0.00 C ATOM 1162 O GLY A 73 -6.138 13.375 7.613 1.00 0.00 O ATOM 0 H GLY A 73 -2.971 15.698 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.415 15.486 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.788 15.925 7.419 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.234 13.264 6.420 1.00 0.00 N ATOM 1167 CA TRP A 74 -4.348 11.839 6.161 1.00 0.00 C ATOM 1168 C TRP A 74 -3.513 11.059 7.161 1.00 0.00 C ATOM 1169 O TRP A 74 -2.601 11.605 7.786 1.00 0.00 O ATOM 1170 CB TRP A 74 -3.898 11.497 4.740 1.00 0.00 C ATOM 1171 CG TRP A 74 -4.823 12.000 3.678 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -6.183 11.920 3.680 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -4.457 12.635 2.450 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -6.689 12.467 2.529 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -5.650 12.916 1.755 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -3.238 12.996 1.869 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -5.657 13.540 0.508 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -3.247 13.614 0.634 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -4.447 13.880 -0.036 1.00 0.00 C ATOM 0 H TRP A 74 -3.422 13.707 5.989 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.397 11.562 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -2.905 11.915 4.572 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.808 10.415 4.648 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.776 11.489 4.473 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.678 12.530 2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.306 12.795 2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.582 13.747 -0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.311 13.897 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.418 14.363 -1.001 1.00 0.00 H new ATOM 1190 N VAL A 75 -3.827 9.786 7.307 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.100 8.919 8.213 1.00 0.00 C ATOM 1192 C VAL A 75 -2.588 7.693 7.470 1.00 0.00 C ATOM 1193 O VAL A 75 -3.054 7.386 6.369 1.00 0.00 O ATOM 1194 CB VAL A 75 -3.979 8.470 9.402 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -4.293 9.643 10.319 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.265 7.826 8.909 1.00 0.00 C ATOM 0 H VAL A 75 -4.587 9.327 6.805 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.259 9.489 8.607 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.418 7.730 9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.913 9.301 11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.364 10.059 10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.828 10.410 9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.868 7.518 9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.825 8.544 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.025 6.954 8.300 1.00 0.00 H new ATOM 1206 N MET A 76 -1.633 6.998 8.074 1.00 0.00 N ATOM 1207 CA MET A 76 -1.037 5.823 7.458 1.00 0.00 C ATOM 1208 C MET A 76 -1.989 4.637 7.532 1.00 0.00 C ATOM 1209 O MET A 76 -2.351 4.182 8.620 1.00 0.00 O ATOM 1210 CB MET A 76 0.287 5.475 8.143 1.00 0.00 C ATOM 1211 CG MET A 76 0.987 4.265 7.539 1.00 0.00 C ATOM 1212 SD MET A 76 2.502 3.818 8.411 1.00 0.00 S ATOM 1213 CE MET A 76 1.858 3.432 10.036 1.00 0.00 C ATOM 0 H MET A 76 -1.255 7.230 8.992 1.00 0.00 H new ATOM 0 HA MET A 76 -0.843 6.049 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.953 6.336 8.086 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.101 5.286 9.200 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.305 3.415 7.549 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.223 4.472 6.495 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.544 2.757 10.548 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.753 4.351 10.613 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.884 2.953 9.937 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.400 4.152 6.371 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.286 2.997 6.290 1.00 0.00 C ATOM 1225 C LEU A 77 -2.470 1.711 6.299 1.00 0.00 C ATOM 1226 O LEU A 77 -2.939 0.658 6.734 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.129 3.067 5.016 1.00 0.00 C ATOM 1228 CG LEU A 77 -4.945 4.351 4.849 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -5.653 4.352 3.507 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -5.952 4.498 5.979 1.00 0.00 C ATOM 0 H LEU A 77 -2.134 4.541 5.467 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.950 3.004 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.469 2.960 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.811 2.217 5.003 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.263 5.200 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.230 5.271 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.916 4.292 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.323 3.494 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.522 5.417 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.631 3.646 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.426 4.537 6.933 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.242 1.814 5.819 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.365 0.670 5.758 1.00 0.00 C ATOM 1244 C GLY A 78 0.694 0.838 4.695 1.00 0.00 C ATOM 1245 O GLY A 78 1.172 1.949 4.460 1.00 0.00 O ATOM 0 H GLY A 78 -0.835 2.681 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.112 0.524 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.949 -0.227 5.552 1.00 0.00 H new ATOM 1249 N ASN A 79 1.043 -0.253 4.036 1.00 0.00 N ATOM 1250 CA ASN A 79 2.065 -0.225 3.001 1.00 0.00 C ATOM 1251 C ASN A 79 1.744 -1.238 1.921 1.00 0.00 C ATOM 1252 O ASN A 79 0.767 -1.983 2.024 1.00 0.00 O ATOM 1253 CB ASN A 79 3.454 -0.534 3.577 1.00 0.00 C ATOM 1254 CG ASN A 79 3.568 -1.944 4.134 1.00 0.00 C ATOM 1255 OD1 ASN A 79 3.880 -2.892 3.408 1.00 0.00 O ATOM 1256 ND2 ASN A 79 3.334 -2.091 5.429 1.00 0.00 N ATOM 0 H ASN A 79 0.633 -1.173 4.199 1.00 0.00 H new ATOM 0 HA ASN A 79 2.076 0.780 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.203 -0.396 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.681 0.182 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.409 -3.013 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.078 -1.283 5.996 1.00 0.00 H new ATOM 1263 N PHE A 80 2.572 -1.271 0.895 1.00 0.00 N ATOM 1264 CA PHE A 80 2.431 -2.263 -0.149 1.00 0.00 C ATOM 1265 C PHE A 80 3.799 -2.727 -0.624 1.00 0.00 C ATOM 1266 O PHE A 80 4.768 -1.967 -0.608 1.00 0.00 O ATOM 1267 CB PHE A 80 1.590 -1.733 -1.323 1.00 0.00 C ATOM 1268 CG PHE A 80 2.238 -0.647 -2.138 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.136 0.682 -1.761 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.932 -0.960 -3.296 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.718 1.677 -2.523 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.518 0.031 -4.059 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.410 1.350 -3.673 1.00 0.00 C ATOM 0 H PHE A 80 3.348 -0.622 0.763 1.00 0.00 H new ATOM 0 HA PHE A 80 1.900 -3.118 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.351 -2.567 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.645 -1.356 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.596 0.943 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.016 -1.991 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.632 2.710 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.060 -0.227 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.866 2.127 -4.269 1.00 0.00 H new ATOM 1283 N HIS A 81 3.870 -3.988 -1.010 1.00 0.00 N ATOM 1284 CA HIS A 81 5.091 -4.569 -1.540 1.00 0.00 C ATOM 1285 C HIS A 81 4.733 -5.602 -2.594 1.00 0.00 C ATOM 1286 O HIS A 81 3.999 -6.552 -2.328 1.00 0.00 O ATOM 1287 CB HIS A 81 5.980 -5.163 -0.429 1.00 0.00 C ATOM 1288 CG HIS A 81 5.291 -6.068 0.561 1.00 0.00 C ATOM 1289 ND1 HIS A 81 4.539 -5.596 1.617 1.00 0.00 N ATOM 1290 CD2 HIS A 81 5.297 -7.417 0.686 1.00 0.00 C ATOM 1291 CE1 HIS A 81 4.117 -6.616 2.345 1.00 0.00 C ATOM 1292 NE2 HIS A 81 4.565 -7.735 1.809 1.00 0.00 N ATOM 0 H HIS A 81 3.085 -4.637 -0.965 1.00 0.00 H new ATOM 0 HA HIS A 81 5.683 -3.780 -2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.789 -5.722 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.438 -4.340 0.120 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.787 -8.117 0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.506 -6.545 3.233 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.398 -8.676 2.165 1.00 0.00 H new ATOM 1301 N SER A 82 5.253 -5.406 -3.793 1.00 0.00 N ATOM 1302 CA SER A 82 4.795 -6.151 -4.953 1.00 0.00 C ATOM 1303 C SER A 82 5.878 -7.083 -5.477 1.00 0.00 C ATOM 1304 O SER A 82 7.062 -6.843 -5.267 1.00 0.00 O ATOM 1305 CB SER A 82 4.377 -5.165 -6.041 1.00 0.00 C ATOM 1306 OG SER A 82 3.502 -4.183 -5.515 1.00 0.00 O ATOM 0 H SER A 82 5.995 -4.735 -3.989 1.00 0.00 H new ATOM 0 HA SER A 82 3.945 -6.768 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.260 -4.685 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.886 -5.699 -6.854 1.00 0.00 H new ATOM 0 HG SER A 82 3.246 -3.559 -6.226 1.00 0.00 H new ATOM 1312 N HIS A 83 5.462 -8.147 -6.151 1.00 0.00 N ATOM 1313 CA HIS A 83 6.399 -9.127 -6.684 1.00 0.00 C ATOM 1314 C HIS A 83 6.343 -9.134 -8.208 1.00 0.00 C ATOM 1315 O HIS A 83 5.268 -9.000 -8.789 1.00 0.00 O ATOM 1316 CB HIS A 83 6.063 -10.526 -6.159 1.00 0.00 C ATOM 1317 CG HIS A 83 6.128 -10.662 -4.668 1.00 0.00 C ATOM 1318 ND1 HIS A 83 5.249 -11.448 -3.946 1.00 0.00 N ATOM 1319 CD2 HIS A 83 6.974 -10.117 -3.759 1.00 0.00 C ATOM 1320 CE1 HIS A 83 5.549 -11.375 -2.662 1.00 0.00 C ATOM 1321 NE2 HIS A 83 6.592 -10.577 -2.522 1.00 0.00 N ATOM 0 H HIS A 83 4.481 -8.354 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 83 7.403 -8.853 -6.360 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.061 -10.794 -6.492 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.751 -11.243 -6.607 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.488 -11.998 -4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.795 -9.447 -3.968 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.030 -11.882 -1.862 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.042 -10.340 -1.638 1.00 0.00 H new ATOM 1330 N PRO A 84 7.493 -9.311 -8.875 1.00 0.00 N ATOM 1331 CA PRO A 84 7.572 -9.331 -10.335 1.00 0.00 C ATOM 1332 C PRO A 84 7.226 -10.696 -10.937 1.00 0.00 C ATOM 1333 O PRO A 84 6.412 -10.787 -11.848 1.00 0.00 O ATOM 1334 CB PRO A 84 9.042 -8.985 -10.628 1.00 0.00 C ATOM 1335 CG PRO A 84 9.707 -8.802 -9.298 1.00 0.00 C ATOM 1336 CD PRO A 84 8.820 -9.457 -8.277 1.00 0.00 C ATOM 0 HA PRO A 84 6.855 -8.638 -10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.523 -9.781 -11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.115 -8.077 -11.227 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.699 -9.254 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.839 -7.743 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.083 -10.503 -8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.885 -8.965 -7.307 1.00 0.00 H new ATOM 1344 N ALA A 85 7.847 -11.752 -10.423 1.00 0.00 N ATOM 1345 CA ALA A 85 7.674 -13.088 -10.988 1.00 0.00 C ATOM 1346 C ALA A 85 7.180 -14.075 -9.936 1.00 0.00 C ATOM 1347 O ALA A 85 7.428 -15.279 -10.026 1.00 0.00 O ATOM 1348 CB ALA A 85 8.986 -13.566 -11.594 1.00 0.00 C ATOM 0 H ALA A 85 8.473 -11.711 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 85 6.917 -13.034 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.851 -14.563 -12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.294 -12.879 -12.382 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.753 -13.599 -10.821 1.00 0.00 H new ATOM 1354 N THR A 86 6.453 -13.567 -8.961 1.00 0.00 N ATOM 1355 CA THR A 86 5.968 -14.390 -7.864 1.00 0.00 C ATOM 1356 C THR A 86 4.550 -13.986 -7.458 1.00 0.00 C ATOM 1357 O THR A 86 4.128 -12.849 -7.701 1.00 0.00 O ATOM 1358 CB THR A 86 6.920 -14.309 -6.650 1.00 0.00 C ATOM 1359 OG1 THR A 86 7.610 -13.049 -6.646 1.00 0.00 O ATOM 1360 CG2 THR A 86 7.929 -15.447 -6.672 1.00 0.00 C ATOM 0 H THR A 86 6.183 -12.585 -8.903 1.00 0.00 H new ATOM 0 HA THR A 86 5.942 -15.423 -8.212 1.00 0.00 H new ATOM 0 HB THR A 86 6.321 -14.396 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.209 -13.007 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.587 -15.367 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.402 -16.401 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.522 -15.390 -7.585 1.00 0.00 H new ATOM 1368 N PRO A 87 3.790 -14.919 -6.853 1.00 0.00 N ATOM 1369 CA PRO A 87 2.391 -14.687 -6.461 1.00 0.00 C ATOM 1370 C PRO A 87 2.236 -13.597 -5.405 1.00 0.00 C ATOM 1371 O PRO A 87 3.219 -13.100 -4.842 1.00 0.00 O ATOM 1372 CB PRO A 87 1.936 -16.039 -5.896 1.00 0.00 C ATOM 1373 CG PRO A 87 2.930 -17.027 -6.399 1.00 0.00 C ATOM 1374 CD PRO A 87 4.226 -16.282 -6.511 1.00 0.00 C ATOM 0 HA PRO A 87 1.801 -14.341 -7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.914 -16.023 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.929 -16.287 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.022 -17.871 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.626 -17.430 -7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.788 -16.305 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.871 -16.706 -7.281 1.00 0.00 H new ATOM 1382 N ALA A 88 0.995 -13.226 -5.142 1.00 0.00 N ATOM 1383 CA ALA A 88 0.704 -12.186 -4.172 1.00 0.00 C ATOM 1384 C ALA A 88 0.265 -12.770 -2.831 1.00 0.00 C ATOM 1385 O ALA A 88 -0.922 -12.814 -2.524 1.00 0.00 O ATOM 1386 CB ALA A 88 -0.359 -11.239 -4.711 1.00 0.00 C ATOM 0 H ALA A 88 0.172 -13.631 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 88 1.624 -11.627 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.566 -10.465 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.001 -10.776 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.272 -11.797 -4.917 1.00 0.00 H new ATOM 1392 N ARG A 89 1.230 -13.260 -2.063 1.00 0.00 N ATOM 1393 CA ARG A 89 0.997 -13.678 -0.682 1.00 0.00 C ATOM 1394 C ARG A 89 2.304 -13.613 0.105 1.00 0.00 C ATOM 1395 O ARG A 89 3.380 -13.813 -0.459 1.00 0.00 O ATOM 1396 CB ARG A 89 0.385 -15.088 -0.602 1.00 0.00 C ATOM 1397 CG ARG A 89 -1.138 -15.082 -0.506 1.00 0.00 C ATOM 1398 CD ARG A 89 -1.712 -16.466 -0.229 1.00 0.00 C ATOM 1399 NE ARG A 89 -3.143 -16.395 0.093 1.00 0.00 N ATOM 1400 CZ ARG A 89 -3.827 -17.359 0.715 1.00 0.00 C ATOM 1401 NH1 ARG A 89 -3.244 -18.517 1.006 1.00 0.00 N ATOM 1402 NH2 ARG A 89 -5.103 -17.167 1.027 1.00 0.00 N ATOM 0 H ARG A 89 2.193 -13.379 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 89 0.275 -12.991 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.684 -15.657 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.795 -15.605 0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.446 -14.400 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.556 -14.699 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.564 -17.104 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.173 -16.927 0.599 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.649 -15.552 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.268 -18.674 0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.772 -19.249 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.558 -16.285 0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.628 -17.901 1.502 1.00 0.00 H new ATOM 1416 N PRO A 90 2.232 -13.298 1.409 1.00 0.00 N ATOM 1417 CA PRO A 90 3.424 -13.138 2.249 1.00 0.00 C ATOM 1418 C PRO A 90 4.071 -14.468 2.631 1.00 0.00 C ATOM 1419 O PRO A 90 3.401 -15.500 2.725 1.00 0.00 O ATOM 1420 CB PRO A 90 2.880 -12.433 3.492 1.00 0.00 C ATOM 1421 CG PRO A 90 1.458 -12.867 3.582 1.00 0.00 C ATOM 1422 CD PRO A 90 0.986 -13.060 2.165 1.00 0.00 C ATOM 0 HA PRO A 90 4.211 -12.590 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.438 -12.717 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.958 -11.350 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.369 -13.792 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.854 -12.118 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 90 0.301 -13.904 2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 90 0.456 -12.182 1.797 1.00 0.00 H new ATOM 1430 N SER A 91 5.379 -14.437 2.843 1.00 0.00 N ATOM 1431 CA SER A 91 6.117 -15.616 3.259 1.00 0.00 C ATOM 1432 C SER A 91 6.316 -15.609 4.770 1.00 0.00 C ATOM 1433 O SER A 91 5.789 -14.736 5.463 1.00 0.00 O ATOM 1434 CB SER A 91 7.463 -15.669 2.539 1.00 0.00 C ATOM 1435 OG SER A 91 8.165 -14.442 2.672 1.00 0.00 O ATOM 0 H SER A 91 5.952 -13.601 2.732 1.00 0.00 H new ATOM 0 HA SER A 91 5.545 -16.505 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.065 -16.481 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.305 -15.888 1.483 1.00 0.00 H new ATOM 0 HG SER A 91 9.086 -14.556 2.356 1.00 0.00 H new ATOM 1441 N ALA A 92 7.078 -16.570 5.278 1.00 0.00 N ATOM 1442 CA ALA A 92 7.298 -16.694 6.714 1.00 0.00 C ATOM 1443 C ALA A 92 7.963 -15.443 7.284 1.00 0.00 C ATOM 1444 O ALA A 92 7.501 -14.888 8.278 1.00 0.00 O ATOM 1445 CB ALA A 92 8.138 -17.927 7.016 1.00 0.00 C ATOM 0 H ALA A 92 7.554 -17.276 4.716 1.00 0.00 H new ATOM 0 HA ALA A 92 6.326 -16.804 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.294 -18.006 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.620 -18.817 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.102 -17.842 6.515 1.00 0.00 H new ATOM 1451 N GLU A 93 9.025 -14.986 6.629 1.00 0.00 N ATOM 1452 CA GLU A 93 9.773 -13.822 7.099 1.00 0.00 C ATOM 1453 C GLU A 93 8.932 -12.553 6.985 1.00 0.00 C ATOM 1454 O GLU A 93 8.990 -11.682 7.850 1.00 0.00 O ATOM 1455 CB GLU A 93 11.077 -13.645 6.308 1.00 0.00 C ATOM 1456 CG GLU A 93 11.912 -14.909 6.181 1.00 0.00 C ATOM 1457 CD GLU A 93 11.586 -15.694 4.929 1.00 0.00 C ATOM 1458 OE1 GLU A 93 10.512 -16.327 4.877 1.00 0.00 O ATOM 1459 OE2 GLU A 93 12.401 -15.676 3.984 1.00 0.00 O ATOM 0 H GLU A 93 9.388 -15.402 5.772 1.00 0.00 H new ATOM 0 HA GLU A 93 10.018 -13.994 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.835 -13.282 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.678 -12.874 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.969 -14.643 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.747 -15.539 7.055 1.00 0.00 H new ATOM 1466 N ASP A 94 8.136 -12.469 5.923 1.00 0.00 N ATOM 1467 CA ASP A 94 7.306 -11.289 5.670 1.00 0.00 C ATOM 1468 C ASP A 94 6.189 -11.213 6.708 1.00 0.00 C ATOM 1469 O ASP A 94 5.801 -10.135 7.154 1.00 0.00 O ATOM 1470 CB ASP A 94 6.721 -11.358 4.251 1.00 0.00 C ATOM 1471 CG ASP A 94 6.283 -10.005 3.707 1.00 0.00 C ATOM 1472 OD1 ASP A 94 7.152 -9.124 3.524 1.00 0.00 O ATOM 1473 OD2 ASP A 94 5.083 -9.840 3.400 1.00 0.00 O ATOM 0 H ASP A 94 8.046 -13.204 5.221 1.00 0.00 H new ATOM 0 HA ASP A 94 7.918 -10.391 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.466 -11.786 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.866 -12.034 4.252 1.00 0.00 H new ATOM 1478 N LYS A 95 5.710 -12.385 7.107 1.00 0.00 N ATOM 1479 CA LYS A 95 4.642 -12.510 8.094 1.00 0.00 C ATOM 1480 C LYS A 95 5.129 -12.112 9.493 1.00 0.00 C ATOM 1481 O LYS A 95 4.368 -11.570 10.296 1.00 0.00 O ATOM 1482 CB LYS A 95 4.127 -13.963 8.086 1.00 0.00 C ATOM 1483 CG LYS A 95 2.908 -14.236 8.964 1.00 0.00 C ATOM 1484 CD LYS A 95 3.282 -14.526 10.413 1.00 0.00 C ATOM 1485 CE LYS A 95 4.228 -15.713 10.529 1.00 0.00 C ATOM 1486 NZ LYS A 95 4.504 -16.069 11.946 1.00 0.00 N ATOM 0 H LYS A 95 6.052 -13.279 6.755 1.00 0.00 H new ATOM 0 HA LYS A 95 3.830 -11.832 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.882 -14.237 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.937 -14.618 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.241 -13.375 8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.355 -15.084 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.751 -13.644 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.378 -14.725 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.796 -16.573 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.166 -15.480 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.152 -16.882 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.940 -15.258 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.613 -16.317 12.422 1.00 0.00 H new ATOM 1500 N ARG A 96 6.397 -12.374 9.780 1.00 0.00 N ATOM 1501 CA ARG A 96 6.938 -12.133 11.117 1.00 0.00 C ATOM 1502 C ARG A 96 7.174 -10.647 11.368 1.00 0.00 C ATOM 1503 O ARG A 96 7.279 -10.217 12.515 1.00 0.00 O ATOM 1504 CB ARG A 96 8.241 -12.907 11.327 1.00 0.00 C ATOM 1505 CG ARG A 96 8.086 -14.410 11.177 1.00 0.00 C ATOM 1506 CD ARG A 96 9.330 -15.158 11.630 1.00 0.00 C ATOM 1507 NE ARG A 96 9.520 -15.069 13.078 1.00 0.00 N ATOM 1508 CZ ARG A 96 9.742 -16.123 13.865 1.00 0.00 C ATOM 1509 NH1 ARG A 96 9.912 -17.329 13.333 1.00 0.00 N ATOM 1510 NH2 ARG A 96 9.819 -15.966 15.180 1.00 0.00 N ATOM 0 H ARG A 96 7.069 -12.751 9.112 1.00 0.00 H new ATOM 0 HA ARG A 96 6.195 -12.487 11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.983 -12.553 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.628 -12.688 12.322 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.228 -14.746 11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.877 -14.651 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.251 -16.205 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.204 -14.750 11.123 1.00 0.00 H new ATOM 0 HE ARG A 96 9.480 -14.146 13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.873 -17.450 12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.082 -18.133 13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.708 -15.039 15.590 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.989 -16.773 15.781 1.00 0.00 H new ATOM 1524 N LEU A 97 7.237 -9.865 10.297 1.00 0.00 N ATOM 1525 CA LEU A 97 7.539 -8.443 10.400 1.00 0.00 C ATOM 1526 C LEU A 97 6.314 -7.629 10.815 1.00 0.00 C ATOM 1527 O LEU A 97 6.414 -6.428 11.068 1.00 0.00 O ATOM 1528 CB LEU A 97 8.070 -7.923 9.066 1.00 0.00 C ATOM 1529 CG LEU A 97 9.381 -8.554 8.599 1.00 0.00 C ATOM 1530 CD1 LEU A 97 9.788 -7.985 7.251 1.00 0.00 C ATOM 1531 CD2 LEU A 97 10.484 -8.330 9.626 1.00 0.00 C ATOM 0 H LEU A 97 7.082 -10.194 9.344 1.00 0.00 H new ATOM 0 HA LEU A 97 8.299 -8.325 11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.312 -8.090 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.211 -6.845 9.144 1.00 0.00 H new ATOM 0 HG LEU A 97 9.227 -9.628 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.724 -8.443 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.010 -8.196 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.923 -6.907 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.408 -8.788 9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.639 -7.260 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.195 -8.782 10.575 1.00 0.00 H new ATOM 1543 N ALA A 98 5.162 -8.278 10.889 1.00 0.00 N ATOM 1544 CA ALA A 98 3.924 -7.588 11.218 1.00 0.00 C ATOM 1545 C ALA A 98 3.707 -7.520 12.726 1.00 0.00 C ATOM 1546 O ALA A 98 3.220 -8.468 13.346 1.00 0.00 O ATOM 1547 CB ALA A 98 2.744 -8.263 10.543 1.00 0.00 C ATOM 0 H ALA A 98 5.058 -9.280 10.726 1.00 0.00 H new ATOM 0 HA ALA A 98 4.004 -6.566 10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.826 -7.734 10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.883 -8.244 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.674 -9.297 10.881 1.00 0.00 H new ATOM 1553 N PHE A 99 4.091 -6.395 13.308 1.00 0.00 N ATOM 1554 CA PHE A 99 3.866 -6.138 14.726 1.00 0.00 C ATOM 1555 C PHE A 99 2.691 -5.177 14.898 1.00 0.00 C ATOM 1556 O PHE A 99 2.527 -4.543 15.940 1.00 0.00 O ATOM 1557 CB PHE A 99 5.123 -5.541 15.366 1.00 0.00 C ATOM 1558 CG PHE A 99 6.350 -6.400 15.223 1.00 0.00 C ATOM 1559 CD1 PHE A 99 6.549 -7.493 16.052 1.00 0.00 C ATOM 1560 CD2 PHE A 99 7.306 -6.110 14.262 1.00 0.00 C ATOM 1561 CE1 PHE A 99 7.676 -8.281 15.924 1.00 0.00 C ATOM 1562 CE2 PHE A 99 8.436 -6.896 14.131 1.00 0.00 C ATOM 1563 CZ PHE A 99 8.621 -7.983 14.964 1.00 0.00 C ATOM 0 H PHE A 99 4.565 -5.637 12.816 1.00 0.00 H new ATOM 0 HA PHE A 99 3.636 -7.082 15.221 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.319 -4.567 14.917 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.933 -5.371 16.426 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.814 -7.731 16.807 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.167 -5.261 13.609 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.818 -9.131 16.576 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.174 -6.661 13.378 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.503 -8.598 14.864 1.00 0.00 H new ATOM 1573 N ASP A 100 1.866 -5.091 13.868 1.00 0.00 N ATOM 1574 CA ASP A 100 0.766 -4.136 13.828 1.00 0.00 C ATOM 1575 C ASP A 100 -0.541 -4.781 14.274 1.00 0.00 C ATOM 1576 O ASP A 100 -0.709 -6.004 14.185 1.00 0.00 O ATOM 1577 CB ASP A 100 0.583 -3.616 12.409 1.00 0.00 C ATOM 1578 CG ASP A 100 -0.052 -4.662 11.522 1.00 0.00 C ATOM 1579 OD1 ASP A 100 0.657 -5.599 11.111 1.00 0.00 O ATOM 1580 OD2 ASP A 100 -1.272 -4.573 11.269 1.00 0.00 O ATOM 0 H ASP A 100 1.938 -5.678 13.037 1.00 0.00 H new ATOM 0 HA ASP A 100 1.013 -3.319 14.506 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.040 -2.721 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.550 -3.325 11.998 1.00 0.00 H new ATOM 1585 N PRO A 101 -1.481 -3.965 14.769 1.00 0.00 N ATOM 1586 CA PRO A 101 -2.821 -4.417 15.093 1.00 0.00 C ATOM 1587 C PRO A 101 -3.823 -4.271 13.935 1.00 0.00 C ATOM 1588 O PRO A 101 -4.716 -5.109 13.785 1.00 0.00 O ATOM 1589 CB PRO A 101 -3.210 -3.512 16.261 1.00 0.00 C ATOM 1590 CG PRO A 101 -2.403 -2.259 16.098 1.00 0.00 C ATOM 1591 CD PRO A 101 -1.289 -2.549 15.115 1.00 0.00 C ATOM 0 HA PRO A 101 -2.840 -5.483 15.319 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.278 -3.293 16.247 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.996 -3.993 17.216 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.031 -1.445 15.735 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.993 -1.942 17.057 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.357 -1.910 14.235 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.309 -2.376 15.560 1.00 0.00 H new ATOM 1599 N SER A 102 -3.677 -3.229 13.107 1.00 0.00 N ATOM 1600 CA SER A 102 -4.691 -2.922 12.097 1.00 0.00 C ATOM 1601 C SER A 102 -4.116 -2.285 10.820 1.00 0.00 C ATOM 1602 O SER A 102 -4.821 -1.547 10.126 1.00 0.00 O ATOM 1603 CB SER A 102 -5.733 -1.981 12.707 1.00 0.00 C ATOM 1604 OG SER A 102 -6.368 -2.580 13.826 1.00 0.00 O ATOM 0 H SER A 102 -2.879 -2.594 13.117 1.00 0.00 H new ATOM 0 HA SER A 102 -5.138 -3.870 11.798 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.254 -1.051 13.012 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.480 -1.724 11.956 1.00 0.00 H new ATOM 0 HG SER A 102 -7.028 -1.959 14.199 1.00 0.00 H new ATOM 1610 N LEU A 103 -2.871 -2.586 10.477 1.00 0.00 N ATOM 1611 CA LEU A 103 -2.277 -2.016 9.271 1.00 0.00 C ATOM 1612 C LEU A 103 -2.522 -2.922 8.069 1.00 0.00 C ATOM 1613 O LEU A 103 -2.608 -4.142 8.205 1.00 0.00 O ATOM 1614 CB LEU A 103 -0.775 -1.778 9.451 1.00 0.00 C ATOM 1615 CG LEU A 103 -0.405 -0.650 10.418 1.00 0.00 C ATOM 1616 CD1 LEU A 103 1.105 -0.516 10.526 1.00 0.00 C ATOM 1617 CD2 LEU A 103 -1.022 0.666 9.967 1.00 0.00 C ATOM 0 H LEU A 103 -2.260 -3.210 11.004 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.757 -1.054 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.317 -2.702 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.339 -1.557 8.477 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.803 -0.898 11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.350 0.290 11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.528 -1.451 10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.521 -0.291 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.748 1.455 10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.654 0.919 8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.107 0.568 9.938 1.00 0.00 H new ATOM 1629 N SER A 104 -2.651 -2.317 6.897 1.00 0.00 N ATOM 1630 CA SER A 104 -2.902 -3.064 5.675 1.00 0.00 C ATOM 1631 C SER A 104 -1.613 -3.252 4.876 1.00 0.00 C ATOM 1632 O SER A 104 -0.869 -2.295 4.640 1.00 0.00 O ATOM 1633 CB SER A 104 -3.950 -2.338 4.833 1.00 0.00 C ATOM 1634 OG SER A 104 -5.113 -2.081 5.601 1.00 0.00 O ATOM 0 H SER A 104 -2.586 -1.307 6.767 1.00 0.00 H new ATOM 0 HA SER A 104 -3.279 -4.052 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.539 -1.400 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.208 -2.942 3.963 1.00 0.00 H new ATOM 0 HG SER A 104 -5.774 -1.614 5.048 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.342 -4.489 4.483 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.169 -4.807 3.682 1.00 0.00 C ATOM 1642 C TYR A 105 -0.603 -5.274 2.303 1.00 0.00 C ATOM 1643 O TYR A 105 -0.997 -6.425 2.128 1.00 0.00 O ATOM 1644 CB TYR A 105 0.674 -5.900 4.349 1.00 0.00 C ATOM 1645 CG TYR A 105 1.173 -5.542 5.729 1.00 0.00 C ATOM 1646 CD1 TYR A 105 0.308 -5.516 6.814 1.00 0.00 C ATOM 1647 CD2 TYR A 105 2.507 -5.234 5.948 1.00 0.00 C ATOM 1648 CE1 TYR A 105 0.757 -5.192 8.075 1.00 0.00 C ATOM 1649 CE2 TYR A 105 2.965 -4.911 7.210 1.00 0.00 C ATOM 1650 CZ TYR A 105 2.085 -4.889 8.268 1.00 0.00 C ATOM 1651 OH TYR A 105 2.531 -4.569 9.526 1.00 0.00 O ATOM 0 H TYR A 105 -1.925 -5.295 4.709 1.00 0.00 H new ATOM 0 HA TYR A 105 0.439 -3.907 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.080 -6.812 4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.530 -6.123 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -0.735 -5.754 6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 105 3.199 -5.247 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.070 -5.176 8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.008 -4.677 7.366 1.00 0.00 H new ATOM 0 HH TYR A 105 2.045 -5.101 10.190 1.00 0.00 H new ATOM 1661 N LEU A 106 -0.557 -4.379 1.336 1.00 0.00 N ATOM 1662 CA LEU A 106 -0.969 -4.711 -0.015 1.00 0.00 C ATOM 1663 C LEU A 106 0.151 -5.416 -0.758 1.00 0.00 C ATOM 1664 O LEU A 106 1.316 -5.027 -0.671 1.00 0.00 O ATOM 1665 CB LEU A 106 -1.411 -3.462 -0.788 1.00 0.00 C ATOM 1666 CG LEU A 106 -2.836 -2.981 -0.505 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -2.997 -2.568 0.949 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.196 -1.831 -1.430 1.00 0.00 C ATOM 0 H LEU A 106 -0.239 -3.418 1.459 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.823 -5.384 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.720 -2.651 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.320 -3.666 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.518 -3.810 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.019 -2.231 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.783 -3.419 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.305 -1.757 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.212 -1.498 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.503 -1.005 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.132 -2.164 -2.466 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.203 -6.468 -1.466 1.00 0.00 N ATOM 1681 CA ILE A 107 0.755 -7.200 -2.267 1.00 0.00 C ATOM 1682 C ILE A 107 0.245 -7.312 -3.695 1.00 0.00 C ATOM 1683 O ILE A 107 -0.831 -7.855 -3.940 1.00 0.00 O ATOM 1684 CB ILE A 107 1.033 -8.607 -1.693 1.00 0.00 C ATOM 1685 CG1 ILE A 107 1.535 -8.499 -0.250 1.00 0.00 C ATOM 1686 CG2 ILE A 107 2.052 -9.340 -2.557 1.00 0.00 C ATOM 1687 CD1 ILE A 107 1.778 -9.841 0.412 1.00 0.00 C ATOM 0 H ILE A 107 -1.153 -6.837 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 107 1.695 -6.649 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 107 0.104 -9.176 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.462 -7.925 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.807 -7.940 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.238 -10.330 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.664 -9.440 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.984 -8.775 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.132 -9.685 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.848 -10.410 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.529 -10.394 -0.152 1.00 0.00 H new ATOM 1699 N ILE A 108 1.006 -6.758 -4.623 1.00 0.00 N ATOM 1700 CA ILE A 108 0.645 -6.791 -6.026 1.00 0.00 C ATOM 1701 C ILE A 108 1.507 -7.811 -6.758 1.00 0.00 C ATOM 1702 O ILE A 108 2.721 -7.876 -6.553 1.00 0.00 O ATOM 1703 CB ILE A 108 0.818 -5.401 -6.677 1.00 0.00 C ATOM 1704 CG1 ILE A 108 -0.030 -4.357 -5.943 1.00 0.00 C ATOM 1705 CG2 ILE A 108 0.448 -5.447 -8.149 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.164 -2.943 -6.454 1.00 0.00 C ATOM 0 H ILE A 108 1.884 -6.277 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.404 -7.077 -6.101 1.00 0.00 H new ATOM 0 HB ILE A 108 1.867 -5.114 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.082 -4.626 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.213 -4.386 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.577 -4.458 -8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.093 -6.159 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.592 -5.757 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.469 -2.261 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.208 -2.653 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.108 -2.897 -7.509 1.00 0.00 H new ATOM 1718 N SER A 109 0.880 -8.628 -7.581 1.00 0.00 N ATOM 1719 CA SER A 109 1.604 -9.611 -8.364 1.00 0.00 C ATOM 1720 C SER A 109 1.700 -9.163 -9.817 1.00 0.00 C ATOM 1721 O SER A 109 0.694 -9.089 -10.524 1.00 0.00 O ATOM 1722 CB SER A 109 0.920 -10.977 -8.267 1.00 0.00 C ATOM 1723 OG SER A 109 1.687 -11.983 -8.909 1.00 0.00 O ATOM 0 H SER A 109 -0.130 -8.631 -7.725 1.00 0.00 H new ATOM 0 HA SER A 109 2.614 -9.702 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.775 -11.240 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.069 -10.924 -8.722 1.00 0.00 H new ATOM 0 HG SER A 109 2.490 -12.170 -8.379 1.00 0.00 H new ATOM 1729 N LEU A 110 2.917 -8.856 -10.252 1.00 0.00 N ATOM 1730 CA LEU A 110 3.156 -8.444 -11.627 1.00 0.00 C ATOM 1731 C LEU A 110 3.473 -9.656 -12.493 1.00 0.00 C ATOM 1732 O LEU A 110 3.823 -9.514 -13.662 1.00 0.00 O ATOM 1733 CB LEU A 110 4.309 -7.433 -11.716 1.00 0.00 C ATOM 1734 CG LEU A 110 4.010 -6.022 -11.190 1.00 0.00 C ATOM 1735 CD1 LEU A 110 2.713 -5.494 -11.776 1.00 0.00 C ATOM 1736 CD2 LEU A 110 3.956 -5.997 -9.673 1.00 0.00 C ATOM 0 H LEU A 110 3.754 -8.885 -9.670 1.00 0.00 H new ATOM 0 HA LEU A 110 2.248 -7.963 -11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.159 -7.832 -11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.616 -7.353 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 110 4.825 -5.372 -11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.520 -4.493 -11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.794 -5.455 -12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.892 -6.155 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.743 -4.984 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.171 -6.669 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.915 -6.320 -9.269 1.00 0.00 H new ATOM 1748 N ALA A 111 3.341 -10.846 -11.904 1.00 0.00 N ATOM 1749 CA ALA A 111 3.601 -12.093 -12.615 1.00 0.00 C ATOM 1750 C ALA A 111 2.666 -12.234 -13.812 1.00 0.00 C ATOM 1751 O ALA A 111 3.028 -12.797 -14.847 1.00 0.00 O ATOM 1752 CB ALA A 111 3.434 -13.282 -11.678 1.00 0.00 C ATOM 0 H ALA A 111 3.054 -10.969 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 111 4.629 -12.072 -12.978 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.631 -14.205 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.136 -13.193 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.415 -13.300 -11.291 1.00 0.00 H new ATOM 1758 N GLU A 112 1.456 -11.718 -13.649 1.00 0.00 N ATOM 1759 CA GLU A 112 0.460 -11.701 -14.698 1.00 0.00 C ATOM 1760 C GLU A 112 0.053 -10.261 -15.021 1.00 0.00 C ATOM 1761 O GLU A 112 -0.914 -9.737 -14.470 1.00 0.00 O ATOM 1762 CB GLU A 112 -0.745 -12.550 -14.277 1.00 0.00 C ATOM 1763 CG GLU A 112 -1.112 -12.423 -12.800 1.00 0.00 C ATOM 1764 CD GLU A 112 -2.089 -13.490 -12.337 1.00 0.00 C ATOM 1765 OE1 GLU A 112 -3.315 -13.274 -12.445 1.00 0.00 O ATOM 1766 OE2 GLU A 112 -1.636 -14.552 -11.860 1.00 0.00 O ATOM 0 H GLU A 112 1.140 -11.297 -12.775 1.00 0.00 H new ATOM 0 HA GLU A 112 0.879 -12.133 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.606 -12.263 -14.880 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.534 -13.596 -14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.204 -12.484 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.546 -11.439 -12.623 1.00 0.00 H new ATOM 1773 N PRO A 113 0.813 -9.593 -15.909 1.00 0.00 N ATOM 1774 CA PRO A 113 0.626 -8.168 -16.222 1.00 0.00 C ATOM 1775 C PRO A 113 -0.637 -7.887 -17.030 1.00 0.00 C ATOM 1776 O PRO A 113 -0.988 -6.733 -17.271 1.00 0.00 O ATOM 1777 CB PRO A 113 1.868 -7.805 -17.049 1.00 0.00 C ATOM 1778 CG PRO A 113 2.797 -8.968 -16.919 1.00 0.00 C ATOM 1779 CD PRO A 113 1.928 -10.164 -16.669 1.00 0.00 C ATOM 0 HA PRO A 113 0.511 -7.583 -15.309 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.606 -7.629 -18.092 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.331 -6.891 -16.678 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.389 -9.098 -17.825 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.499 -8.817 -16.099 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.592 -10.623 -17.599 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.452 -10.935 -16.104 1.00 0.00 H new ATOM 1787 N GLN A 114 -1.309 -8.947 -17.449 1.00 0.00 N ATOM 1788 CA GLN A 114 -2.546 -8.818 -18.211 1.00 0.00 C ATOM 1789 C GLN A 114 -3.663 -8.339 -17.297 1.00 0.00 C ATOM 1790 O GLN A 114 -4.593 -7.655 -17.725 1.00 0.00 O ATOM 1791 CB GLN A 114 -2.928 -10.159 -18.834 1.00 0.00 C ATOM 1792 CG GLN A 114 -1.791 -10.832 -19.577 1.00 0.00 C ATOM 1793 CD GLN A 114 -2.219 -12.126 -20.234 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -2.629 -12.138 -21.393 1.00 0.00 O ATOM 1795 NE2 GLN A 114 -2.148 -13.221 -19.495 1.00 0.00 N ATOM 0 H GLN A 114 -1.020 -9.910 -17.275 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.394 -8.091 -19.009 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.282 -10.827 -18.049 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.760 -10.006 -19.522 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.404 -10.153 -20.336 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.975 -11.032 -18.883 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -1.802 -13.168 -18.537 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.440 -14.118 -19.883 1.00 0.00 H new ATOM 1804 N LYS A 115 -3.548 -8.717 -16.032 1.00 0.00 N ATOM 1805 CA LYS A 115 -4.478 -8.309 -14.996 1.00 0.00 C ATOM 1806 C LYS A 115 -3.851 -8.591 -13.633 1.00 0.00 C ATOM 1807 O LYS A 115 -4.162 -9.594 -12.987 1.00 0.00 O ATOM 1808 CB LYS A 115 -5.814 -9.049 -15.152 1.00 0.00 C ATOM 1809 CG LYS A 115 -6.910 -8.569 -14.212 1.00 0.00 C ATOM 1810 CD LYS A 115 -8.233 -9.257 -14.513 1.00 0.00 C ATOM 1811 CE LYS A 115 -9.331 -8.794 -13.573 1.00 0.00 C ATOM 1812 NZ LYS A 115 -10.652 -9.362 -13.946 1.00 0.00 N ATOM 0 H LYS A 115 -2.798 -9.321 -15.696 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.682 -7.242 -15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.159 -8.938 -16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.648 -10.113 -14.984 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.620 -8.767 -13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.028 -7.490 -14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.524 -9.051 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.110 -10.337 -14.426 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.084 -9.088 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.386 -7.705 -13.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.376 -9.023 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.899 -9.061 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.607 -10.400 -13.908 1.00 0.00 H new ATOM 1826 N PRO A 116 -2.925 -7.715 -13.202 1.00 0.00 N ATOM 1827 CA PRO A 116 -2.138 -7.917 -11.978 1.00 0.00 C ATOM 1828 C PRO A 116 -3.016 -8.077 -10.744 1.00 0.00 C ATOM 1829 O PRO A 116 -3.855 -7.221 -10.449 1.00 0.00 O ATOM 1830 CB PRO A 116 -1.288 -6.642 -11.874 1.00 0.00 C ATOM 1831 CG PRO A 116 -1.959 -5.649 -12.760 1.00 0.00 C ATOM 1832 CD PRO A 116 -2.584 -6.447 -13.866 1.00 0.00 C ATOM 0 HA PRO A 116 -1.546 -8.831 -12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.241 -6.283 -10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -0.263 -6.826 -12.195 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -2.712 -5.082 -12.213 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -1.242 -4.929 -13.154 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.467 -5.953 -14.272 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.893 -6.598 -14.696 1.00 0.00 H new ATOM 1840 N VAL A 117 -2.838 -9.178 -10.027 1.00 0.00 N ATOM 1841 CA VAL A 117 -3.628 -9.418 -8.835 1.00 0.00 C ATOM 1842 C VAL A 117 -3.172 -8.497 -7.717 1.00 0.00 C ATOM 1843 O VAL A 117 -2.010 -8.526 -7.306 1.00 0.00 O ATOM 1844 CB VAL A 117 -3.513 -10.880 -8.365 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -4.370 -11.126 -7.130 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -3.917 -11.826 -9.480 1.00 0.00 C ATOM 0 H VAL A 117 -2.162 -9.909 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.670 -9.217 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.473 -11.069 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.270 -12.166 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.040 -10.473 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.414 -10.916 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -3.831 -12.856 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.948 -11.626 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.263 -11.677 -10.339 1.00 0.00 H new ATOM 1856 N CYS A 118 -4.088 -7.671 -7.249 1.00 0.00 N ATOM 1857 CA CYS A 118 -3.819 -6.780 -6.141 1.00 0.00 C ATOM 1858 C CYS A 118 -4.740 -7.106 -4.976 1.00 0.00 C ATOM 1859 O CYS A 118 -5.956 -7.168 -5.148 1.00 0.00 O ATOM 1860 CB CYS A 118 -4.008 -5.330 -6.586 1.00 0.00 C ATOM 1861 SG CYS A 118 -3.092 -4.909 -8.085 1.00 0.00 S ATOM 0 H CYS A 118 -5.034 -7.600 -7.625 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.788 -6.913 -5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.069 -5.146 -6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -3.694 -4.667 -5.780 1.00 0.00 H new ATOM 0 HG CYS A 118 -3.432 -3.719 -8.482 1.00 0.00 H new ATOM 1867 N LYS A 119 -4.174 -7.334 -3.804 1.00 0.00 N ATOM 1868 CA LYS A 119 -4.976 -7.533 -2.605 1.00 0.00 C ATOM 1869 C LYS A 119 -4.348 -6.842 -1.418 1.00 0.00 C ATOM 1870 O LYS A 119 -3.182 -6.453 -1.446 1.00 0.00 O ATOM 1871 CB LYS A 119 -5.161 -9.012 -2.259 1.00 0.00 C ATOM 1872 CG LYS A 119 -6.189 -9.746 -3.104 1.00 0.00 C ATOM 1873 CD LYS A 119 -6.319 -11.197 -2.665 1.00 0.00 C ATOM 1874 CE LYS A 119 -7.522 -11.879 -3.299 1.00 0.00 C ATOM 1875 NZ LYS A 119 -8.812 -11.324 -2.802 1.00 0.00 N ATOM 0 H LYS A 119 -3.166 -7.386 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.953 -7.103 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.200 -9.517 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.451 -9.091 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.155 -9.249 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.899 -9.704 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.412 -11.739 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.408 -11.241 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.473 -11.765 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.484 -12.948 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.588 -11.969 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.770 -11.221 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.980 -10.394 -3.236 1.00 0.00 H new ATOM 1889 N SER A 120 -5.139 -6.715 -0.377 1.00 0.00 N ATOM 1890 CA SER A 120 -4.681 -6.165 0.878 1.00 0.00 C ATOM 1891 C SER A 120 -4.639 -7.286 1.894 1.00 0.00 C ATOM 1892 O SER A 120 -5.636 -7.967 2.115 1.00 0.00 O ATOM 1893 CB SER A 120 -5.615 -5.054 1.358 1.00 0.00 C ATOM 1894 OG SER A 120 -5.124 -4.435 2.537 1.00 0.00 O ATOM 0 H SER A 120 -6.121 -6.991 -0.377 1.00 0.00 H new ATOM 0 HA SER A 120 -3.690 -5.730 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.727 -4.306 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.606 -5.467 1.548 1.00 0.00 H new ATOM 0 HG SER A 120 -5.812 -3.843 2.906 1.00 0.00 H new ATOM 1900 N PHE A 121 -3.491 -7.507 2.482 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.335 -8.599 3.415 1.00 0.00 C ATOM 1902 C PHE A 121 -3.114 -8.084 4.820 1.00 0.00 C ATOM 1903 O PHE A 121 -2.286 -7.204 5.052 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.181 -9.503 2.990 1.00 0.00 C ATOM 1905 CG PHE A 121 -2.426 -10.199 1.683 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -3.131 -11.392 1.644 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -1.963 -9.658 0.495 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -3.367 -12.032 0.443 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -2.198 -10.295 -0.708 1.00 0.00 C ATOM 1910 CZ PHE A 121 -2.901 -11.483 -0.733 1.00 0.00 C ATOM 0 H PHE A 121 -2.651 -6.948 2.333 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.255 -9.183 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.271 -8.908 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.008 -10.250 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -3.499 -11.825 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -1.413 -8.729 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.916 -12.962 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -1.832 -9.864 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.086 -11.982 -1.673 1.00 0.00 H new ATOM 1920 N LEU A 122 -3.881 -8.621 5.743 1.00 0.00 N ATOM 1921 CA LEU A 122 -3.706 -8.322 7.144 1.00 0.00 C ATOM 1922 C LEU A 122 -2.936 -9.455 7.794 1.00 0.00 C ATOM 1923 O LEU A 122 -3.474 -10.544 7.999 1.00 0.00 O ATOM 1924 CB LEU A 122 -5.069 -8.153 7.826 1.00 0.00 C ATOM 1925 CG LEU A 122 -5.976 -7.076 7.221 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -7.307 -7.030 7.955 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -5.301 -5.715 7.261 1.00 0.00 C ATOM 0 H LEU A 122 -4.639 -9.274 5.544 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.151 -7.390 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.594 -9.108 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.904 -7.917 8.877 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.161 -7.333 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.940 -6.260 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.802 -7.998 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -7.135 -6.799 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.964 -4.967 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.081 -5.448 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.373 -5.752 6.691 1.00 0.00 H new ATOM 1939 N ILE A 123 -1.677 -9.214 8.101 1.00 0.00 N ATOM 1940 CA ILE A 123 -0.866 -10.225 8.745 1.00 0.00 C ATOM 1941 C ILE A 123 -0.987 -10.077 10.249 1.00 0.00 C ATOM 1942 O ILE A 123 -0.660 -9.032 10.808 1.00 0.00 O ATOM 1943 CB ILE A 123 0.623 -10.164 8.329 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.804 -10.439 6.827 1.00 0.00 C ATOM 1945 CG2 ILE A 123 1.430 -11.166 9.134 1.00 0.00 C ATOM 1946 CD1 ILE A 123 0.431 -9.282 5.922 1.00 0.00 C ATOM 0 H ILE A 123 -1.197 -8.333 7.916 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.240 -11.196 8.422 1.00 0.00 H new ATOM 0 HB ILE A 123 0.982 -9.155 8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.845 -10.705 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.200 -11.305 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.477 -11.115 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.345 -10.933 10.195 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.049 -12.171 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.591 -9.567 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.618 -9.027 6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.052 -8.418 6.161 1.00 0.00 H new ATOM 1958 N LYS A 124 -1.484 -11.114 10.893 1.00 0.00 N ATOM 1959 CA LYS A 124 -1.784 -11.062 12.306 1.00 0.00 C ATOM 1960 C LYS A 124 -1.103 -12.204 13.046 1.00 0.00 C ATOM 1961 O LYS A 124 -0.174 -12.823 12.521 1.00 0.00 O ATOM 1962 CB LYS A 124 -3.303 -11.100 12.498 1.00 0.00 C ATOM 1963 CG LYS A 124 -3.988 -9.837 12.000 1.00 0.00 C ATOM 1964 CD LYS A 124 -3.646 -8.643 12.876 1.00 0.00 C ATOM 1965 CE LYS A 124 -3.527 -7.358 12.071 1.00 0.00 C ATOM 1966 NZ LYS A 124 -2.108 -7.015 11.779 1.00 0.00 N ATOM 0 H LYS A 124 -1.690 -12.011 10.453 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.398 -10.133 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.711 -11.962 11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.528 -11.238 13.555 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.684 -9.636 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -5.068 -9.986 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.415 -8.522 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.707 -8.833 13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -4.075 -7.464 11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -3.992 -6.540 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -2.065 -6.091 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -1.571 -6.972 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -1.695 -7.742 11.161 1.00 0.00 H new ATOM 1980 N LYS A 125 -1.550 -12.452 14.269 1.00 0.00 N ATOM 1981 CA LYS A 125 -0.956 -13.468 15.121 1.00 0.00 C ATOM 1982 C LYS A 125 -1.071 -14.856 14.497 1.00 0.00 C ATOM 1983 O LYS A 125 -0.072 -15.564 14.332 1.00 0.00 O ATOM 1984 CB LYS A 125 -1.633 -13.444 16.492 1.00 0.00 C ATOM 1985 CG LYS A 125 -0.718 -13.867 17.628 1.00 0.00 C ATOM 1986 CD LYS A 125 0.493 -12.953 17.715 1.00 0.00 C ATOM 1987 CE LYS A 125 1.365 -13.279 18.911 1.00 0.00 C ATOM 1988 NZ LYS A 125 2.540 -12.374 18.992 1.00 0.00 N ATOM 0 H LYS A 125 -2.332 -11.956 14.696 1.00 0.00 H new ATOM 0 HA LYS A 125 0.105 -13.245 15.234 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.001 -12.437 16.689 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.501 -14.103 16.471 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.266 -13.843 18.570 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.392 -14.896 17.475 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.081 -13.043 16.802 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.161 -11.917 17.780 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.777 -13.196 19.825 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.705 -14.313 18.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.115 -12.625 19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.114 -12.472 18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.215 -11.390 19.081 1.00 0.00 H new ATOM 2002 N ASP A 126 -2.290 -15.232 14.140 1.00 0.00 N ATOM 2003 CA ASP A 126 -2.559 -16.576 13.629 1.00 0.00 C ATOM 2004 C ASP A 126 -2.049 -16.754 12.207 1.00 0.00 C ATOM 2005 O ASP A 126 -1.528 -17.812 11.852 1.00 0.00 O ATOM 2006 CB ASP A 126 -4.056 -16.887 13.676 1.00 0.00 C ATOM 2007 CG ASP A 126 -4.554 -17.140 15.083 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -4.483 -18.298 15.541 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -5.018 -16.179 15.737 1.00 0.00 O ATOM 0 H ASP A 126 -3.111 -14.629 14.193 1.00 0.00 H new ATOM 0 HA ASP A 126 -2.024 -17.273 14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.610 -16.054 13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -4.261 -17.762 13.059 1.00 0.00 H new ATOM 2014 N GLY A 127 -2.198 -15.723 11.394 1.00 0.00 N ATOM 2015 CA GLY A 127 -1.791 -15.815 10.011 1.00 0.00 C ATOM 2016 C GLY A 127 -2.149 -14.574 9.229 1.00 0.00 C ATOM 2017 O GLY A 127 -2.173 -13.477 9.781 1.00 0.00 O ATOM 0 H GLY A 127 -2.594 -14.823 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -0.714 -15.976 9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -2.265 -16.682 9.551 1.00 0.00 H new ATOM 2021 N VAL A 128 -2.437 -14.746 7.951 1.00 0.00 N ATOM 2022 CA VAL A 128 -2.747 -13.621 7.089 1.00 0.00 C ATOM 2023 C VAL A 128 -4.198 -13.675 6.606 1.00 0.00 C ATOM 2024 O VAL A 128 -4.684 -14.715 6.153 1.00 0.00 O ATOM 2025 CB VAL A 128 -1.782 -13.558 5.881 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -1.841 -14.834 5.050 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.078 -12.336 5.022 1.00 0.00 C ATOM 0 H VAL A 128 -2.462 -15.654 7.488 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.616 -12.715 7.680 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.768 -13.469 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.150 -14.754 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -1.561 -15.685 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.854 -14.977 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.389 -12.309 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.102 -12.390 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.955 -11.433 5.620 1.00 0.00 H new ATOM 2037 N ASP A 129 -4.890 -12.553 6.731 1.00 0.00 N ATOM 2038 CA ASP A 129 -6.267 -12.435 6.270 1.00 0.00 C ATOM 2039 C ASP A 129 -6.335 -11.477 5.088 1.00 0.00 C ATOM 2040 O ASP A 129 -5.853 -10.349 5.174 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.158 -11.932 7.405 1.00 0.00 C ATOM 2042 CG ASP A 129 -8.615 -11.834 7.005 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -9.227 -12.878 6.695 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -9.157 -10.709 6.999 1.00 0.00 O ATOM 0 H ASP A 129 -4.517 -11.702 7.152 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.622 -13.416 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.064 -12.603 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.808 -10.952 7.729 1.00 0.00 H new ATOM 2049 N GLU A 130 -6.908 -11.924 3.981 1.00 0.00 N ATOM 2050 CA GLU A 130 -6.972 -11.102 2.789 1.00 0.00 C ATOM 2051 C GLU A 130 -8.244 -10.256 2.751 1.00 0.00 C ATOM 2052 O GLU A 130 -9.365 -10.767 2.830 1.00 0.00 O ATOM 2053 CB GLU A 130 -6.841 -11.965 1.534 1.00 0.00 C ATOM 2054 CG GLU A 130 -7.608 -13.276 1.583 1.00 0.00 C ATOM 2055 CD GLU A 130 -7.353 -14.135 0.360 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -6.346 -14.876 0.349 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -8.157 -14.076 -0.594 1.00 0.00 O ATOM 0 H GLU A 130 -7.332 -12.847 3.886 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.131 -10.410 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.187 -11.389 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.786 -12.183 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.323 -13.828 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.675 -13.068 1.663 1.00 0.00 H new ATOM 2064 N GLU A 131 -8.037 -8.955 2.624 1.00 0.00 N ATOM 2065 CA GLU A 131 -9.112 -7.980 2.580 1.00 0.00 C ATOM 2066 C GLU A 131 -9.584 -7.778 1.141 1.00 0.00 C ATOM 2067 O GLU A 131 -8.790 -7.873 0.198 1.00 0.00 O ATOM 2068 CB GLU A 131 -8.613 -6.658 3.184 1.00 0.00 C ATOM 2069 CG GLU A 131 -9.592 -5.499 3.099 1.00 0.00 C ATOM 2070 CD GLU A 131 -10.863 -5.731 3.890 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -11.744 -6.470 3.405 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -11.011 -5.130 4.977 1.00 0.00 O ATOM 0 H GLU A 131 -7.107 -8.543 2.548 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.960 -8.340 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.364 -6.827 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.690 -6.371 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.106 -4.594 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.849 -5.325 2.054 1.00 0.00 H new ATOM 2079 N GLU A 132 -10.869 -7.497 0.978 1.00 0.00 N ATOM 2080 CA GLU A 132 -11.460 -7.356 -0.342 1.00 0.00 C ATOM 2081 C GLU A 132 -11.131 -5.991 -0.940 1.00 0.00 C ATOM 2082 O GLU A 132 -11.146 -4.973 -0.240 1.00 0.00 O ATOM 2083 CB GLU A 132 -12.974 -7.545 -0.271 1.00 0.00 C ATOM 2084 CG GLU A 132 -13.632 -7.653 -1.633 1.00 0.00 C ATOM 2085 CD GLU A 132 -13.006 -8.736 -2.485 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -13.308 -9.927 -2.257 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -12.199 -8.404 -3.378 1.00 0.00 O ATOM 0 H GLU A 132 -11.524 -7.362 1.748 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.038 -8.127 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.194 -8.445 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.412 -6.707 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.694 -7.861 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.554 -6.696 -2.149 1.00 0.00 H new ATOM 2094 N ILE A 133 -10.854 -5.984 -2.237 1.00 0.00 N ATOM 2095 CA ILE A 133 -10.454 -4.775 -2.941 1.00 0.00 C ATOM 2096 C ILE A 133 -11.654 -4.110 -3.601 1.00 0.00 C ATOM 2097 O ILE A 133 -12.304 -4.697 -4.464 1.00 0.00 O ATOM 2098 CB ILE A 133 -9.393 -5.082 -4.024 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -8.178 -5.781 -3.407 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -8.966 -3.803 -4.737 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -7.414 -4.923 -2.419 1.00 0.00 C ATOM 0 H ILE A 133 -10.900 -6.814 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 133 -10.024 -4.100 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 133 -9.840 -5.752 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -8.510 -6.689 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -7.503 -6.087 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -8.219 -4.041 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.833 -3.345 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -8.540 -3.108 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -6.568 -5.487 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -7.050 -4.026 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -8.073 -4.638 -1.599 1.00 0.00 H new ATOM 2113 N ILE A 134 -11.949 -2.893 -3.181 1.00 0.00 N ATOM 2114 CA ILE A 134 -13.009 -2.116 -3.794 1.00 0.00 C ATOM 2115 C ILE A 134 -12.405 -1.004 -4.637 1.00 0.00 C ATOM 2116 O ILE A 134 -11.722 -0.122 -4.110 1.00 0.00 O ATOM 2117 CB ILE A 134 -13.959 -1.503 -2.740 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -14.577 -2.602 -1.871 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -15.049 -0.679 -3.414 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -15.389 -3.621 -2.647 1.00 0.00 C ATOM 0 H ILE A 134 -11.467 -2.421 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.594 -2.790 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.377 -0.842 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -13.780 -3.119 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.217 -2.139 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -15.707 -0.256 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -14.593 0.127 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.628 -1.318 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.792 -4.365 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -16.209 -3.118 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.750 -4.113 -3.380 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.641 -1.052 -5.939 1.00 0.00 N ATOM 2133 CA LEU A 135 -12.095 -0.052 -6.838 1.00 0.00 C ATOM 2134 C LEU A 135 -13.060 1.114 -6.984 1.00 0.00 C ATOM 2135 O LEU A 135 -14.136 0.983 -7.569 1.00 0.00 O ATOM 2136 CB LEU A 135 -11.789 -0.659 -8.213 1.00 0.00 C ATOM 2137 CG LEU A 135 -10.715 -1.749 -8.226 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -10.434 -2.202 -9.649 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.440 -1.250 -7.565 1.00 0.00 C ATOM 0 H LEU A 135 -13.205 -1.770 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.162 0.314 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.710 -1.076 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -11.478 0.142 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 135 -11.085 -2.603 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.668 -2.977 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.347 -2.600 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.085 -1.354 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.688 -2.039 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -9.067 -0.380 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.650 -0.973 -6.532 1.00 0.00 H new ATOM 2151 N LYS A 136 -12.665 2.248 -6.436 1.00 0.00 N ATOM 2152 CA LYS A 136 -13.459 3.459 -6.508 1.00 0.00 C ATOM 2153 C LYS A 136 -13.341 4.057 -7.902 1.00 0.00 C ATOM 2154 O LYS A 136 -12.294 3.942 -8.543 1.00 0.00 O ATOM 2155 CB LYS A 136 -12.975 4.459 -5.456 1.00 0.00 C ATOM 2156 CG LYS A 136 -14.022 5.468 -5.026 1.00 0.00 C ATOM 2157 CD LYS A 136 -13.499 6.377 -3.927 1.00 0.00 C ATOM 2158 CE LYS A 136 -14.590 7.285 -3.382 1.00 0.00 C ATOM 2159 NZ LYS A 136 -15.159 8.179 -4.427 1.00 0.00 N ATOM 0 H LYS A 136 -11.786 2.355 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.505 3.224 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.635 3.909 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -12.112 4.995 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -14.324 6.069 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -14.911 4.944 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -13.091 5.772 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.681 6.984 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -15.387 6.675 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -14.184 7.890 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -15.745 8.911 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -14.386 8.631 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -15.745 7.621 -5.080 1.00 0.00 H new ATOM 2173 N GLU A 137 -14.405 4.695 -8.361 1.00 0.00 N ATOM 2174 CA GLU A 137 -14.444 5.245 -9.708 1.00 0.00 C ATOM 2175 C GLU A 137 -13.406 6.339 -9.893 1.00 0.00 C ATOM 2176 O GLU A 137 -12.889 6.552 -10.991 1.00 0.00 O ATOM 2177 CB GLU A 137 -15.826 5.816 -9.978 1.00 0.00 C ATOM 2178 CG GLU A 137 -16.942 4.788 -9.915 1.00 0.00 C ATOM 2179 CD GLU A 137 -16.699 3.604 -10.823 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -16.803 3.763 -12.054 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -16.413 2.501 -10.310 1.00 0.00 O ATOM 0 H GLU A 137 -15.256 4.846 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 137 -14.221 4.441 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -16.030 6.604 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -15.830 6.281 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -17.049 4.437 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -17.884 5.263 -10.189 1.00 0.00 H new ATOM 2188 N GLU A 138 -13.098 6.992 -8.792 1.00 0.00 N ATOM 2189 CA GLU A 138 -12.118 8.070 -8.745 1.00 0.00 C ATOM 2190 C GLU A 138 -12.103 8.642 -7.332 1.00 0.00 C ATOM 2191 O GLU A 138 -12.649 8.021 -6.419 1.00 0.00 O ATOM 2192 CB GLU A 138 -12.448 9.163 -9.770 1.00 0.00 C ATOM 2193 CG GLU A 138 -11.214 9.810 -10.382 1.00 0.00 C ATOM 2194 CD GLU A 138 -11.555 10.805 -11.469 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -11.934 11.944 -11.138 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -11.431 10.456 -12.663 1.00 0.00 O ATOM 0 H GLU A 138 -13.525 6.790 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 138 -11.133 7.679 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -13.056 8.733 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -13.051 9.932 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -10.647 10.313 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -10.569 9.034 -10.794 1.00 0.00 H new ATOM 2203 N LEU A 139 -11.502 9.815 -7.151 1.00 0.00 N ATOM 2204 CA LEU A 139 -11.340 10.399 -5.820 1.00 0.00 C ATOM 2205 C LEU A 139 -12.692 10.682 -5.163 1.00 0.00 C ATOM 2206 O LEU A 139 -13.746 10.573 -5.797 1.00 0.00 O ATOM 2207 CB LEU A 139 -10.499 11.678 -5.898 1.00 0.00 C ATOM 2208 CG LEU A 139 -9.056 11.481 -6.371 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -8.318 12.810 -6.386 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -8.335 10.476 -5.481 1.00 0.00 C ATOM 0 H LEU A 139 -11.119 10.381 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.818 9.673 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -10.993 12.378 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -10.481 12.143 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.075 11.086 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.294 12.654 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.823 13.499 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -8.308 13.232 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.311 10.348 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.324 10.842 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.854 9.518 -5.519 1.00 0.00 H new