USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -162:sc= -0.0482 (180deg=-0.358) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.183! USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 15 GLN : amide:sc= -0.059 K(o=-0.059,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0567 (180deg=-0.85) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -4.24! C(o=-4.2!,f=-8.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 13:sc= -0.735! USER MOD Single : A 37 THR OG1 : rot 4:sc= 0.536! USER MOD Single : A 42 CYS SG : rot -29:sc= -0.639! USER MOD Single : A 45 THR OG1 : rot 91:sc= 0.949 USER MOD Single : A 47 TYR OH : rot 120:sc= -0.0156 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.00396) USER MOD Single : A 53 ASN : amide:sc= -1.77! C(o=-1.8!,f=-7.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0293) USER MOD Single : A 64 SER OG : rot 180:sc= -0.608! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 146:sc= 1.01 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -23.6! C(o=-25!,f=-24!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= -1.65! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 24:sc= 0.385 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.5!) USER MOD Single : A 103 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1.5) USER MOD Single : A 104 LYS NZ :NH3+ -168:sc=-0.000455 (180deg=-0.167) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc=-0.00855 K(o=-0.0086,f=-1) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 114 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-1.2) USER MOD Single : A 115 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.5) USER MOD Single : A 116 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.0202 K(o=-0.02,f=-0.86) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.64 F(o=-1.5,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 71.780 -9.303 -11.609 1.00 0.00 N ATOM 2 CA ARG A 1 71.199 -10.190 -12.655 1.00 0.00 C ATOM 3 C ARG A 1 69.723 -10.408 -12.347 1.00 0.00 C ATOM 4 O ARG A 1 68.896 -10.511 -13.252 1.00 0.00 O ATOM 5 CB ARG A 1 71.936 -11.535 -12.656 1.00 0.00 C ATOM 6 CG ARG A 1 71.423 -12.401 -13.814 1.00 0.00 C ATOM 7 CD ARG A 1 72.073 -13.787 -13.760 1.00 0.00 C ATOM 8 NE ARG A 1 73.506 -13.697 -14.031 1.00 0.00 N ATOM 9 CZ ARG A 1 73.976 -13.704 -15.275 1.00 0.00 C ATOM 10 NH1 ARG A 1 74.175 -14.838 -15.893 1.00 0.00 N1+ ATOM 11 NH2 ARG A 1 74.239 -12.580 -15.880 1.00 0.00 N ATOM 0 H1 ARG A 1 72.675 -8.901 -11.953 1.00 0.00 H new ATOM 0 H2 ARG A 1 71.113 -8.533 -11.397 1.00 0.00 H new ATOM 0 H3 ARG A 1 71.958 -9.855 -10.745 1.00 0.00 H new ATOM 0 HA ARG A 1 71.306 -9.729 -13.637 1.00 0.00 H new ATOM 0 HB2 ARG A 1 73.009 -11.373 -12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 1 71.779 -12.048 -11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 1 70.339 -12.496 -13.755 1.00 0.00 H new ATOM 0 HG3 ARG A 1 71.650 -11.921 -14.766 1.00 0.00 H new ATOM 0 HD2 ARG A 1 71.911 -14.232 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 1 71.600 -14.444 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 1 74.159 -13.627 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 1 73.970 -15.719 -15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 1 74.535 -14.842 -16.847 1.00 0.00 H new ATOM 0 HH21 ARG A 1 74.084 -11.694 -15.399 1.00 0.00 H new ATOM 0 HH22 ARG A 1 74.599 -12.587 -16.834 1.00 0.00 H new ATOM 27 N MET A 2 69.402 -10.471 -11.060 1.00 0.00 N ATOM 28 CA MET A 2 68.024 -10.672 -10.632 1.00 0.00 C ATOM 29 C MET A 2 67.148 -9.512 -11.090 1.00 0.00 C ATOM 30 O MET A 2 66.009 -9.709 -11.513 1.00 0.00 O ATOM 31 CB MET A 2 67.965 -10.772 -9.107 1.00 0.00 C ATOM 32 CG MET A 2 68.699 -12.031 -8.636 1.00 0.00 C ATOM 33 SD MET A 2 70.485 -11.805 -8.833 1.00 0.00 S ATOM 34 CE MET A 2 71.010 -13.023 -7.599 1.00 0.00 C ATOM 0 H MET A 2 70.075 -10.386 -10.298 1.00 0.00 H new ATOM 0 HA MET A 2 67.656 -11.596 -11.078 1.00 0.00 H new ATOM 0 HB2 MET A 2 68.418 -9.888 -8.659 1.00 0.00 H new ATOM 0 HB3 MET A 2 66.927 -10.801 -8.776 1.00 0.00 H new ATOM 0 HG2 MET A 2 68.461 -12.233 -7.592 1.00 0.00 H new ATOM 0 HG3 MET A 2 68.366 -12.895 -9.212 1.00 0.00 H new ATOM 0 HE1 MET A 2 72.099 -13.049 -7.554 1.00 0.00 H new ATOM 0 HE2 MET A 2 70.613 -12.746 -6.622 1.00 0.00 H new ATOM 0 HE3 MET A 2 70.634 -14.008 -7.877 1.00 0.00 H new ATOM 44 N ALA A 3 67.688 -8.304 -10.995 1.00 0.00 N ATOM 45 CA ALA A 3 66.949 -7.114 -11.394 1.00 0.00 C ATOM 46 C ALA A 3 66.607 -7.164 -12.880 1.00 0.00 C ATOM 47 O ALA A 3 67.457 -7.483 -13.712 1.00 0.00 O ATOM 48 CB ALA A 3 67.789 -5.868 -11.110 1.00 0.00 C ATOM 0 H ALA A 3 68.630 -8.123 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 3 66.022 -7.075 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 3 67.234 -4.979 -11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 3 68.012 -5.815 -10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 3 68.721 -5.921 -11.674 1.00 0.00 H new ATOM 54 N HIS A 4 65.356 -6.841 -13.209 1.00 0.00 N ATOM 55 CA HIS A 4 64.912 -6.845 -14.599 1.00 0.00 C ATOM 56 C HIS A 4 65.312 -5.545 -15.291 1.00 0.00 C ATOM 57 O HIS A 4 65.368 -5.474 -16.518 1.00 0.00 O ATOM 58 CB HIS A 4 63.391 -7.016 -14.668 1.00 0.00 C ATOM 59 CG HIS A 4 62.985 -8.288 -13.970 1.00 0.00 C ATOM 60 ND1 HIS A 4 63.295 -9.544 -14.474 1.00 0.00 N ATOM 61 CD2 HIS A 4 62.280 -8.515 -12.814 1.00 0.00 C ATOM 62 CE1 HIS A 4 62.781 -10.457 -13.631 1.00 0.00 C ATOM 63 NE2 HIS A 4 62.154 -9.884 -12.601 1.00 0.00 N ATOM 0 H HIS A 4 64.638 -6.575 -12.535 1.00 0.00 H new ATOM 0 HA HIS A 4 65.391 -7.680 -15.110 1.00 0.00 H new ATOM 0 HB2 HIS A 4 62.899 -6.162 -14.202 1.00 0.00 H new ATOM 0 HB3 HIS A 4 63.066 -7.042 -15.708 1.00 0.00 H new ATOM 0 HD2 HIS A 4 61.883 -7.746 -12.167 1.00 0.00 H new ATOM 0 HE1 HIS A 4 62.865 -11.525 -13.770 1.00 0.00 H new ATOM 0 HE2 HIS A 4 61.684 -10.350 -11.825 1.00 0.00 H new ATOM 71 N GLU A 5 65.598 -4.516 -14.492 1.00 0.00 N ATOM 72 CA GLU A 5 66.003 -3.214 -15.028 1.00 0.00 C ATOM 73 C GLU A 5 67.192 -2.665 -14.239 1.00 0.00 C ATOM 74 O GLU A 5 68.311 -2.600 -14.748 1.00 0.00 O ATOM 75 CB GLU A 5 64.837 -2.222 -14.951 1.00 0.00 C ATOM 76 CG GLU A 5 63.718 -2.667 -15.897 1.00 0.00 C ATOM 77 CD GLU A 5 62.543 -1.699 -15.808 1.00 0.00 C ATOM 78 OE1 GLU A 5 62.642 -0.744 -15.054 1.00 0.00 O ATOM 79 OE2 GLU A 5 61.560 -1.925 -16.496 1.00 0.00 O1- ATOM 0 H GLU A 5 65.557 -4.558 -13.474 1.00 0.00 H new ATOM 0 HA GLU A 5 66.293 -3.345 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 5 64.462 -2.166 -13.929 1.00 0.00 H new ATOM 0 HB3 GLU A 5 65.179 -1.223 -15.221 1.00 0.00 H new ATOM 0 HG2 GLU A 5 64.090 -2.706 -16.921 1.00 0.00 H new ATOM 0 HG3 GLU A 5 63.391 -3.674 -15.638 1.00 0.00 H new ATOM 86 N GLY A 6 66.937 -2.275 -12.992 1.00 0.00 N ATOM 87 CA GLY A 6 67.986 -1.733 -12.130 1.00 0.00 C ATOM 88 C GLY A 6 67.474 -1.570 -10.701 1.00 0.00 C ATOM 89 O GLY A 6 66.279 -1.709 -10.448 1.00 0.00 O ATOM 0 H GLY A 6 66.016 -2.324 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 6 68.851 -2.396 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 6 68.319 -0.769 -12.515 1.00 0.00 H new ATOM 93 N ALA A 7 68.376 -1.269 -9.768 1.00 0.00 N ATOM 94 CA ALA A 7 67.976 -1.085 -8.375 1.00 0.00 C ATOM 95 C ALA A 7 67.044 0.115 -8.250 1.00 0.00 C ATOM 96 O ALA A 7 67.187 1.101 -8.971 1.00 0.00 O ATOM 97 CB ALA A 7 69.208 -0.880 -7.492 1.00 0.00 C ATOM 0 H ALA A 7 69.373 -1.149 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 7 67.449 -1.980 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.895 -0.744 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.856 -1.753 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 7 69.752 0.004 -7.826 1.00 0.00 H new ATOM 103 N LEU A 8 66.084 0.022 -7.336 1.00 0.00 N ATOM 104 CA LEU A 8 65.131 1.109 -7.139 1.00 0.00 C ATOM 105 C LEU A 8 65.795 2.258 -6.389 1.00 0.00 C ATOM 106 O LEU A 8 66.552 2.040 -5.444 1.00 0.00 O ATOM 107 CB LEU A 8 63.909 0.620 -6.346 1.00 0.00 C ATOM 108 CG LEU A 8 63.099 -0.419 -7.149 1.00 0.00 C ATOM 109 CD1 LEU A 8 62.587 0.191 -8.467 1.00 0.00 C ATOM 110 CD2 LEU A 8 63.961 -1.655 -7.448 1.00 0.00 C ATOM 0 H LEU A 8 65.945 -0.784 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 8 64.802 1.456 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 64.236 0.180 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 8 63.271 1.468 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 8 62.242 -0.720 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 8 62.018 -0.558 -9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 61.946 1.045 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 8 63.434 0.519 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 8 63.375 -2.379 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 8 64.833 -1.358 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 8 64.287 -2.107 -6.511 1.00 0.00 H new ATOM 122 N THR A 9 65.509 3.484 -6.819 1.00 0.00 N ATOM 123 CA THR A 9 66.093 4.663 -6.181 1.00 0.00 C ATOM 124 C THR A 9 65.513 4.868 -4.783 1.00 0.00 C ATOM 125 O THR A 9 64.337 4.590 -4.539 1.00 0.00 O ATOM 126 CB THR A 9 65.842 5.910 -7.037 1.00 0.00 C ATOM 127 OG1 THR A 9 66.076 7.071 -6.251 1.00 0.00 O ATOM 128 CG2 THR A 9 64.399 5.920 -7.543 1.00 0.00 C ATOM 0 H THR A 9 64.883 3.687 -7.598 1.00 0.00 H new ATOM 0 HA THR A 9 67.167 4.502 -6.091 1.00 0.00 H new ATOM 0 HB THR A 9 66.517 5.899 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 9 65.918 7.871 -6.794 1.00 0.00 H new ATOM 0 HG21 THR A 9 64.232 6.810 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 9 64.219 5.030 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 9 63.716 5.927 -6.694 1.00 0.00 H new ATOM 136 N GLY A 10 66.351 5.350 -3.864 1.00 0.00 N ATOM 137 CA GLY A 10 65.924 5.588 -2.482 1.00 0.00 C ATOM 138 C GLY A 10 67.067 5.314 -1.506 1.00 0.00 C ATOM 139 O GLY A 10 68.177 5.817 -1.678 1.00 0.00 O ATOM 0 H GLY A 10 67.327 5.583 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.586 6.619 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.075 4.948 -2.244 1.00 0.00 H new ATOM 143 N VAL A 11 66.787 4.506 -0.480 1.00 0.00 N ATOM 144 CA VAL A 11 67.798 4.162 0.522 1.00 0.00 C ATOM 145 C VAL A 11 68.476 2.849 0.144 1.00 0.00 C ATOM 146 O VAL A 11 67.807 1.848 -0.113 1.00 0.00 O ATOM 147 CB VAL A 11 67.143 4.022 1.907 1.00 0.00 C ATOM 148 CG1 VAL A 11 68.168 3.512 2.928 1.00 0.00 C ATOM 149 CG2 VAL A 11 66.620 5.386 2.366 1.00 0.00 C ATOM 0 H VAL A 11 65.874 4.080 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 11 68.543 4.957 0.557 1.00 0.00 H new ATOM 0 HB VAL A 11 66.320 3.311 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 11 67.693 3.417 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.544 2.539 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 11 68.997 4.217 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 11 66.156 5.286 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 11 67.448 6.092 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 11 65.883 5.752 1.652 1.00 0.00 H new ATOM 159 N THR A 12 69.809 2.860 0.114 1.00 0.00 N ATOM 160 CA THR A 12 70.583 1.664 -0.234 1.00 0.00 C ATOM 161 C THR A 12 71.489 1.270 0.927 1.00 0.00 C ATOM 162 O THR A 12 71.195 0.329 1.666 1.00 0.00 O ATOM 163 CB THR A 12 71.433 1.946 -1.479 1.00 0.00 C ATOM 164 OG1 THR A 12 72.481 2.845 -1.146 1.00 0.00 O ATOM 165 CG2 THR A 12 70.567 2.573 -2.572 1.00 0.00 C ATOM 0 H THR A 12 70.376 3.681 0.326 1.00 0.00 H new ATOM 0 HA THR A 12 69.896 0.844 -0.441 1.00 0.00 H new ATOM 0 HB THR A 12 71.851 1.007 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.024 3.023 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.179 2.770 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 12 69.761 1.888 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.143 3.509 -2.208 1.00 0.00 H new ATOM 173 N THR A 13 72.593 1.993 1.081 1.00 0.00 N ATOM 174 CA THR A 13 73.540 1.718 2.150 1.00 0.00 C ATOM 175 C THR A 13 74.189 0.351 1.949 1.00 0.00 C ATOM 176 O THR A 13 74.630 0.022 0.849 1.00 0.00 O ATOM 177 CB THR A 13 72.820 1.774 3.501 1.00 0.00 C ATOM 178 OG1 THR A 13 71.872 2.831 3.477 1.00 0.00 O ATOM 179 CG2 THR A 13 73.829 2.025 4.623 1.00 0.00 C ATOM 0 H THR A 13 72.852 2.774 0.478 1.00 0.00 H new ATOM 0 HA THR A 13 74.325 2.474 2.133 1.00 0.00 H new ATOM 0 HB THR A 13 72.317 0.824 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 13 71.406 2.872 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 13 73.308 2.063 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 13 74.561 1.218 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 13 74.338 2.973 4.449 1.00 0.00 H new ATOM 187 N ASP A 14 74.251 -0.442 3.012 1.00 0.00 N ATOM 188 CA ASP A 14 74.856 -1.765 2.914 1.00 0.00 C ATOM 189 C ASP A 14 74.560 -2.584 4.167 1.00 0.00 C ATOM 190 O ASP A 14 73.728 -2.200 4.991 1.00 0.00 O ATOM 191 CB ASP A 14 76.375 -1.629 2.708 1.00 0.00 C ATOM 192 CG ASP A 14 76.944 -2.880 2.040 1.00 0.00 C ATOM 193 OD1 ASP A 14 78.033 -3.285 2.413 1.00 0.00 O ATOM 194 OD2 ASP A 14 76.286 -3.407 1.157 1.00 0.00 O1- ATOM 0 H ASP A 14 73.897 -0.198 3.937 1.00 0.00 H new ATOM 0 HA ASP A 14 74.427 -2.286 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 14 76.587 -0.754 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 14 76.864 -1.469 3.669 1.00 0.00 H new ATOM 199 N GLN A 15 75.236 -3.721 4.297 1.00 0.00 N ATOM 200 CA GLN A 15 75.028 -4.597 5.445 1.00 0.00 C ATOM 201 C GLN A 15 75.725 -4.054 6.691 1.00 0.00 C ATOM 202 O GLN A 15 76.724 -3.342 6.599 1.00 0.00 O ATOM 203 CB GLN A 15 75.556 -5.998 5.130 1.00 0.00 C ATOM 204 CG GLN A 15 77.069 -5.943 4.913 1.00 0.00 C ATOM 205 CD GLN A 15 77.556 -7.268 4.338 1.00 0.00 C ATOM 206 OE1 GLN A 15 76.756 -8.066 3.848 1.00 0.00 O ATOM 207 NE2 GLN A 15 78.828 -7.553 4.371 1.00 0.00 N ATOM 0 H GLN A 15 75.928 -4.056 3.627 1.00 0.00 H new ATOM 0 HA GLN A 15 73.958 -4.643 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 15 75.321 -6.678 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 15 75.065 -6.390 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 15 77.319 -5.128 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 15 77.574 -5.738 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 15 79.489 -6.891 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 15 79.162 -8.438 3.990 1.00 0.00 H new ATOM 216 N LYS A 16 75.179 -4.403 7.858 1.00 0.00 N ATOM 217 CA LYS A 16 75.732 -3.963 9.144 1.00 0.00 C ATOM 218 C LYS A 16 76.024 -5.169 10.027 1.00 0.00 C ATOM 219 O LYS A 16 76.288 -5.030 11.223 1.00 0.00 O ATOM 220 CB LYS A 16 74.722 -3.059 9.856 1.00 0.00 C ATOM 221 CG LYS A 16 74.567 -1.749 9.086 1.00 0.00 C ATOM 222 CD LYS A 16 73.529 -0.875 9.788 1.00 0.00 C ATOM 223 CE LYS A 16 73.386 0.444 9.035 1.00 0.00 C ATOM 224 NZ LYS A 16 72.840 0.176 7.674 1.00 0.00 N1+ ATOM 0 H LYS A 16 74.350 -4.992 7.940 1.00 0.00 H new ATOM 0 HA LYS A 16 76.656 -3.415 8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 16 73.759 -3.563 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 16 75.056 -2.856 10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 16 75.523 -1.228 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 74.257 -1.950 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 16 72.569 -1.391 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 16 73.832 -0.688 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 72.724 1.117 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 16 74.354 0.940 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 72.412 1.045 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 73.609 -0.134 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 72.117 -0.570 7.731 1.00 0.00 H new ATOM 238 N GLU A 17 75.969 -6.353 9.430 1.00 0.00 N ATOM 239 CA GLU A 17 76.218 -7.584 10.167 1.00 0.00 C ATOM 240 C GLU A 17 77.691 -7.724 10.522 1.00 0.00 C ATOM 241 O GLU A 17 78.512 -6.875 10.174 1.00 0.00 O ATOM 242 CB GLU A 17 75.763 -8.790 9.342 1.00 0.00 C ATOM 243 CG GLU A 17 76.598 -8.901 8.063 1.00 0.00 C ATOM 244 CD GLU A 17 76.045 -10.017 7.183 1.00 0.00 C ATOM 245 OE1 GLU A 17 76.137 -9.893 5.973 1.00 0.00 O ATOM 246 OE2 GLU A 17 75.535 -10.981 7.732 1.00 0.00 O1- ATOM 0 H GLU A 17 75.755 -6.486 8.442 1.00 0.00 H new ATOM 0 HA GLU A 17 75.647 -7.544 11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 17 75.864 -9.702 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 17 74.708 -8.689 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 17 76.579 -7.955 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 77.639 -9.104 8.313 1.00 0.00 H new ATOM 253 N LYS A 18 78.007 -8.796 11.235 1.00 0.00 N ATOM 254 CA LYS A 18 79.377 -9.036 11.658 1.00 0.00 C ATOM 255 C LYS A 18 80.303 -8.998 10.448 1.00 0.00 C ATOM 256 O LYS A 18 79.924 -9.414 9.353 1.00 0.00 O ATOM 257 CB LYS A 18 79.478 -10.398 12.348 1.00 0.00 C ATOM 258 CG LYS A 18 78.718 -10.358 13.681 1.00 0.00 C ATOM 259 CD LYS A 18 78.722 -11.750 14.332 1.00 0.00 C ATOM 260 CE LYS A 18 80.072 -12.021 15.008 1.00 0.00 C ATOM 261 NZ LYS A 18 79.977 -13.270 15.818 1.00 0.00 N1+ ATOM 0 H LYS A 18 77.338 -9.508 11.530 1.00 0.00 H new ATOM 0 HA LYS A 18 79.675 -8.259 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 18 79.064 -11.174 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 18 80.524 -10.652 12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 18 79.181 -9.633 14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 18 77.692 -10.029 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 18 77.920 -11.817 15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 18 78.527 -12.512 13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 18 80.855 -12.121 14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 80.347 -11.181 15.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 80.891 -13.456 16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 79.241 -13.158 16.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 79.732 -14.068 15.198 1.00 0.00 H new ATOM 275 N GLN A 19 81.535 -8.535 10.653 1.00 0.00 N ATOM 276 CA GLN A 19 82.535 -8.484 9.590 1.00 0.00 C ATOM 277 C GLN A 19 83.901 -8.763 10.203 1.00 0.00 C ATOM 278 O GLN A 19 84.148 -8.374 11.339 1.00 0.00 O ATOM 279 CB GLN A 19 82.545 -7.104 8.923 1.00 0.00 C ATOM 280 CG GLN A 19 81.293 -6.929 8.060 1.00 0.00 C ATOM 281 CD GLN A 19 81.202 -5.495 7.554 1.00 0.00 C ATOM 282 OE1 GLN A 19 82.116 -4.698 7.768 1.00 0.00 O ATOM 283 NE2 GLN A 19 80.138 -5.116 6.902 1.00 0.00 N ATOM 0 H GLN A 19 81.865 -8.187 11.553 1.00 0.00 H new ATOM 0 HA GLN A 19 82.296 -9.229 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 19 82.584 -6.324 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 19 83.438 -6.995 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 19 81.324 -7.619 7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 80.404 -7.175 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 19 79.384 -5.780 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 19 80.060 -4.156 6.567 1.00 0.00 H new ATOM 292 N LYS A 20 84.789 -9.418 9.460 1.00 0.00 N ATOM 293 CA LYS A 20 86.134 -9.704 9.975 1.00 0.00 C ATOM 294 C LYS A 20 87.112 -8.592 9.550 1.00 0.00 C ATOM 295 O LYS A 20 87.478 -8.532 8.379 1.00 0.00 O ATOM 296 CB LYS A 20 86.631 -11.061 9.437 1.00 0.00 C ATOM 297 CG LYS A 20 86.293 -11.225 7.946 1.00 0.00 C ATOM 298 CD LYS A 20 86.643 -12.647 7.496 1.00 0.00 C ATOM 299 CE LYS A 20 88.140 -12.911 7.700 1.00 0.00 C ATOM 300 NZ LYS A 20 88.571 -14.017 6.797 1.00 0.00 N1+ ATOM 0 H LYS A 20 84.611 -9.758 8.515 1.00 0.00 H new ATOM 0 HA LYS A 20 86.088 -9.745 11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 20 87.709 -11.139 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 20 86.175 -11.870 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 20 85.234 -11.030 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 20 86.849 -10.498 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 86.058 -13.371 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 86.382 -12.779 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 20 88.713 -12.008 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 20 88.336 -13.176 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 89.586 -14.200 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 88.032 -14.878 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 88.396 -13.746 5.808 1.00 0.00 H new ATOM 314 N PRO A 21 87.574 -7.718 10.434 1.00 0.00 N ATOM 315 CA PRO A 21 88.539 -6.658 10.024 1.00 0.00 C ATOM 316 C PRO A 21 89.922 -7.252 9.754 1.00 0.00 C ATOM 317 O PRO A 21 90.375 -8.125 10.494 1.00 0.00 O ATOM 318 CB PRO A 21 88.553 -5.652 11.203 1.00 0.00 C ATOM 319 CG PRO A 21 87.545 -6.154 12.206 1.00 0.00 C ATOM 320 CD PRO A 21 87.263 -7.622 11.873 1.00 0.00 C ATOM 0 HA PRO A 21 88.251 -6.170 9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 21 89.546 -5.590 11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 21 88.294 -4.650 10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 21 87.932 -6.058 13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 21 86.629 -5.566 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 21 87.886 -8.294 12.463 1.00 0.00 H new ATOM 0 HD3 PRO A 21 86.226 -7.887 12.077 1.00 0.00 H new ATOM 328 N ASP A 22 90.588 -6.761 8.704 1.00 0.00 N ATOM 329 CA ASP A 22 91.925 -7.248 8.349 1.00 0.00 C ATOM 330 C ASP A 22 92.460 -6.531 7.104 1.00 0.00 C ATOM 331 O ASP A 22 91.986 -6.764 5.992 1.00 0.00 O ATOM 332 CB ASP A 22 91.885 -8.758 8.060 1.00 0.00 C ATOM 333 CG ASP A 22 93.298 -9.285 7.836 1.00 0.00 C ATOM 334 OD1 ASP A 22 94.200 -8.474 7.702 1.00 0.00 O ATOM 335 OD2 ASP A 22 93.459 -10.494 7.808 1.00 0.00 O1- ATOM 0 H ASP A 22 90.227 -6.032 8.089 1.00 0.00 H new ATOM 0 HA ASP A 22 92.582 -7.045 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 91.420 -9.284 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 22 91.272 -8.952 7.180 1.00 0.00 H new ATOM 340 N ILE A 23 93.420 -5.622 7.278 1.00 0.00 N ATOM 341 CA ILE A 23 93.951 -4.899 6.122 1.00 0.00 C ATOM 342 C ILE A 23 95.015 -5.714 5.395 1.00 0.00 C ATOM 343 O ILE A 23 95.736 -6.507 6.000 1.00 0.00 O ATOM 344 CB ILE A 23 94.544 -3.536 6.511 1.00 0.00 C ATOM 345 CG1 ILE A 23 95.739 -3.708 7.470 1.00 0.00 C ATOM 346 CG2 ILE A 23 93.467 -2.683 7.187 1.00 0.00 C ATOM 347 CD1 ILE A 23 96.610 -2.448 7.427 1.00 0.00 C ATOM 0 H ILE A 23 93.835 -5.374 8.176 1.00 0.00 H new ATOM 0 HA ILE A 23 93.104 -4.733 5.456 1.00 0.00 H new ATOM 0 HB ILE A 23 94.895 -3.042 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 23 95.383 -3.883 8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 96.327 -4.580 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 23 93.888 -1.716 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 23 92.636 -2.533 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.109 -3.191 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 23 97.456 -2.567 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 23 96.977 -2.294 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 23 96.018 -1.586 7.734 1.00 0.00 H new ATOM 359 N VAL A 24 95.115 -5.486 4.089 1.00 0.00 N ATOM 360 CA VAL A 24 96.105 -6.162 3.247 1.00 0.00 C ATOM 361 C VAL A 24 97.084 -5.123 2.717 1.00 0.00 C ATOM 362 O VAL A 24 96.673 -4.052 2.268 1.00 0.00 O ATOM 363 CB VAL A 24 95.413 -6.875 2.079 1.00 0.00 C ATOM 364 CG1 VAL A 24 96.456 -7.329 1.048 1.00 0.00 C ATOM 365 CG2 VAL A 24 94.664 -8.096 2.613 1.00 0.00 C ATOM 0 H VAL A 24 94.517 -4.832 3.584 1.00 0.00 H new ATOM 0 HA VAL A 24 96.638 -6.909 3.836 1.00 0.00 H new ATOM 0 HB VAL A 24 94.715 -6.189 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 24 95.955 -7.834 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 24 96.995 -6.461 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 24 97.160 -8.015 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 94.169 -8.609 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 24 95.370 -8.775 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 24 93.918 -7.776 3.341 1.00 0.00 H new ATOM 375 N LEU A 25 98.377 -5.432 2.779 1.00 0.00 N ATOM 376 CA LEU A 25 99.390 -4.493 2.303 1.00 0.00 C ATOM 377 C LEU A 25 100.629 -5.220 1.779 1.00 0.00 C ATOM 378 O LEU A 25 100.613 -6.432 1.571 1.00 0.00 O ATOM 379 CB LEU A 25 99.773 -3.520 3.435 1.00 0.00 C ATOM 380 CG LEU A 25 99.891 -4.244 4.796 1.00 0.00 C ATOM 381 CD1 LEU A 25 98.505 -4.635 5.354 1.00 0.00 C ATOM 382 CD2 LEU A 25 100.769 -5.496 4.656 1.00 0.00 C ATOM 0 H LEU A 25 98.744 -6.309 3.147 1.00 0.00 H new ATOM 0 HA LEU A 25 98.967 -3.929 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 100.721 -3.038 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 25 99.024 -2.731 3.506 1.00 0.00 H new ATOM 0 HG LEU A 25 100.354 -3.552 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 25 98.628 -5.142 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 25 97.902 -3.737 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 98.005 -5.302 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 25 100.845 -5.997 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 25 100.322 -6.174 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.764 -5.207 4.319 1.00 0.00 H new ATOM 394 N TYR A 26 101.696 -4.456 1.571 1.00 0.00 N ATOM 395 CA TYR A 26 102.956 -5.000 1.068 1.00 0.00 C ATOM 396 C TYR A 26 103.302 -6.324 1.771 1.00 0.00 C ATOM 397 O TYR A 26 103.737 -6.312 2.922 1.00 0.00 O ATOM 398 CB TYR A 26 104.073 -3.982 1.330 1.00 0.00 C ATOM 399 CG TYR A 26 103.970 -2.835 0.346 1.00 0.00 C ATOM 400 CD1 TYR A 26 104.867 -2.741 -0.726 1.00 0.00 C ATOM 401 CD2 TYR A 26 102.975 -1.862 0.510 1.00 0.00 C ATOM 402 CE1 TYR A 26 104.764 -1.677 -1.633 1.00 0.00 C ATOM 403 CE2 TYR A 26 102.875 -0.806 -0.394 1.00 0.00 C ATOM 404 CZ TYR A 26 103.767 -0.711 -1.466 1.00 0.00 C ATOM 405 OH TYR A 26 103.663 0.337 -2.356 1.00 0.00 O ATOM 0 H TYR A 26 101.715 -3.451 1.744 1.00 0.00 H new ATOM 0 HA TYR A 26 102.856 -5.193 -0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 26 104.000 -3.605 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 26 105.046 -4.465 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 26 105.637 -3.487 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 26 102.285 -1.930 1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 26 105.454 -1.604 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 26 102.106 -0.059 -0.266 1.00 0.00 H new ATOM 0 HH TYR A 26 104.211 0.150 -3.147 1.00 0.00 H new ATOM 415 N PRO A 27 103.131 -7.465 1.124 1.00 0.00 N ATOM 416 CA PRO A 27 103.457 -8.773 1.764 1.00 0.00 C ATOM 417 C PRO A 27 104.961 -8.927 2.033 1.00 0.00 C ATOM 418 O PRO A 27 105.370 -9.740 2.862 1.00 0.00 O ATOM 419 CB PRO A 27 102.938 -9.853 0.781 1.00 0.00 C ATOM 420 CG PRO A 27 102.326 -9.131 -0.398 1.00 0.00 C ATOM 421 CD PRO A 27 102.623 -7.630 -0.253 1.00 0.00 C ATOM 0 HA PRO A 27 102.987 -8.861 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 27 103.753 -10.499 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 27 102.200 -10.491 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 27 102.739 -9.511 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 27 101.250 -9.304 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 27 103.360 -7.302 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 27 101.725 -7.034 -0.415 1.00 0.00 H new ATOM 429 N GLU A 28 105.775 -8.147 1.327 1.00 0.00 N ATOM 430 CA GLU A 28 107.225 -8.214 1.498 1.00 0.00 C ATOM 431 C GLU A 28 107.869 -6.916 0.977 1.00 0.00 C ATOM 432 O GLU A 28 107.511 -6.458 -0.108 1.00 0.00 O ATOM 433 CB GLU A 28 107.759 -9.421 0.710 1.00 0.00 C ATOM 434 CG GLU A 28 109.213 -9.725 1.091 1.00 0.00 C ATOM 435 CD GLU A 28 109.279 -10.317 2.496 1.00 0.00 C ATOM 436 OE1 GLU A 28 110.225 -10.015 3.204 1.00 0.00 O ATOM 437 OE2 GLU A 28 108.384 -11.071 2.843 1.00 0.00 O1- ATOM 0 H GLU A 28 105.460 -7.466 0.636 1.00 0.00 H new ATOM 0 HA GLU A 28 107.472 -8.327 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 107.137 -10.294 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 28 107.694 -9.220 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 28 109.646 -10.423 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 28 109.807 -8.812 1.045 1.00 0.00 H new ATOM 444 N PRO A 29 108.797 -6.296 1.699 1.00 0.00 N ATOM 445 CA PRO A 29 109.428 -5.027 1.223 1.00 0.00 C ATOM 446 C PRO A 29 109.842 -5.147 -0.244 1.00 0.00 C ATOM 447 O PRO A 29 110.089 -6.251 -0.729 1.00 0.00 O ATOM 448 CB PRO A 29 110.653 -4.820 2.148 1.00 0.00 C ATOM 449 CG PRO A 29 110.672 -5.968 3.125 1.00 0.00 C ATOM 450 CD PRO A 29 109.331 -6.703 3.014 1.00 0.00 C ATOM 0 HA PRO A 29 108.745 -4.179 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 29 111.574 -4.794 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 29 110.582 -3.868 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 29 111.497 -6.644 2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 29 110.824 -5.602 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 29 109.464 -7.783 3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 29 108.655 -6.421 3.822 1.00 0.00 H new ATOM 458 N VAL A 30 109.893 -4.017 -0.966 1.00 0.00 N ATOM 459 CA VAL A 30 110.257 -4.065 -2.391 1.00 0.00 C ATOM 460 C VAL A 30 111.186 -2.920 -2.789 1.00 0.00 C ATOM 461 O VAL A 30 111.016 -1.776 -2.361 1.00 0.00 O ATOM 462 CB VAL A 30 108.987 -4.027 -3.255 1.00 0.00 C ATOM 463 CG1 VAL A 30 109.376 -3.986 -4.741 1.00 0.00 C ATOM 464 CG2 VAL A 30 108.118 -5.272 -2.970 1.00 0.00 C ATOM 0 H VAL A 30 109.694 -3.085 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 30 110.795 -4.998 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 30 108.412 -3.134 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 108.474 -3.959 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 109.974 -3.096 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 30 109.957 -4.874 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 30 107.220 -5.238 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 30 108.685 -6.173 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 107.835 -5.285 -1.917 1.00 0.00 H new ATOM 474 N ARG A 31 112.165 -3.251 -3.633 1.00 0.00 N ATOM 475 CA ARG A 31 113.135 -2.274 -4.136 1.00 0.00 C ATOM 476 C ARG A 31 113.154 -2.310 -5.664 1.00 0.00 C ATOM 477 O ARG A 31 113.073 -3.384 -6.263 1.00 0.00 O ATOM 478 CB ARG A 31 114.536 -2.601 -3.599 1.00 0.00 C ATOM 479 CG ARG A 31 114.959 -3.998 -4.075 1.00 0.00 C ATOM 480 CD ARG A 31 116.334 -4.353 -3.505 1.00 0.00 C ATOM 481 NE ARG A 31 116.733 -5.680 -3.968 1.00 0.00 N ATOM 482 CZ ARG A 31 117.731 -6.345 -3.395 1.00 0.00 C ATOM 483 NH1 ARG A 31 118.630 -6.934 -4.133 1.00 0.00 N1+ ATOM 484 NH2 ARG A 31 117.811 -6.414 -2.095 1.00 0.00 N ATOM 0 H ARG A 31 112.308 -4.197 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 31 112.845 -1.279 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 31 115.252 -1.856 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 31 114.537 -2.562 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 114.223 -4.737 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 31 114.990 -4.026 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 31 117.070 -3.612 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 116.303 -4.332 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 31 116.234 -6.106 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 31 118.567 -6.884 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 31 119.396 -7.444 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 31 117.107 -5.957 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 31 118.578 -6.925 -1.658 1.00 0.00 H new ATOM 498 N VAL A 32 113.243 -1.139 -6.298 1.00 0.00 N ATOM 499 CA VAL A 32 113.258 -1.062 -7.766 1.00 0.00 C ATOM 500 C VAL A 32 114.441 -0.203 -8.234 1.00 0.00 C ATOM 501 O VAL A 32 114.995 0.565 -7.456 1.00 0.00 O ATOM 502 CB VAL A 32 111.896 -0.495 -8.260 1.00 0.00 C ATOM 503 CG1 VAL A 32 111.973 1.027 -8.495 1.00 0.00 C ATOM 504 CG2 VAL A 32 111.458 -1.207 -9.555 1.00 0.00 C ATOM 0 H VAL A 32 113.305 -0.237 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 32 113.389 -2.056 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 32 111.156 -0.680 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 32 111.005 1.391 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 32 112.238 1.526 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 32 112.731 1.241 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 32 110.504 -0.800 -9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 32 112.210 -1.050 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 32 111.350 -2.275 -9.365 1.00 0.00 H new ATOM 514 N LEU A 33 114.839 -0.354 -9.500 1.00 0.00 N ATOM 515 CA LEU A 33 115.973 0.405 -10.044 1.00 0.00 C ATOM 516 C LEU A 33 115.473 1.579 -10.895 1.00 0.00 C ATOM 517 O LEU A 33 114.554 1.426 -11.698 1.00 0.00 O ATOM 518 CB LEU A 33 116.853 -0.515 -10.903 1.00 0.00 C ATOM 519 CG LEU A 33 117.202 -1.786 -10.116 1.00 0.00 C ATOM 520 CD1 LEU A 33 118.107 -2.679 -10.972 1.00 0.00 C ATOM 521 CD2 LEU A 33 117.924 -1.416 -8.810 1.00 0.00 C ATOM 0 H LEU A 33 114.398 -0.989 -10.165 1.00 0.00 H new ATOM 0 HA LEU A 33 116.560 0.796 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 33 116.330 -0.778 -11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 33 117.765 0.006 -11.193 1.00 0.00 H new ATOM 0 HG LEU A 33 116.285 -2.321 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 33 118.357 -3.583 -10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 33 117.587 -2.950 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 33 119.022 -2.140 -11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 118.167 -2.324 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 118.842 -0.876 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 117.276 -0.785 -8.202 1.00 0.00 H new ATOM 533 N GLU A 34 116.079 2.751 -10.702 1.00 0.00 N ATOM 534 CA GLU A 34 115.682 3.949 -11.447 1.00 0.00 C ATOM 535 C GLU A 34 115.414 3.619 -12.911 1.00 0.00 C ATOM 536 O GLU A 34 116.264 3.048 -13.591 1.00 0.00 O ATOM 537 CB GLU A 34 116.798 4.994 -11.384 1.00 0.00 C ATOM 538 CG GLU A 34 116.336 6.302 -12.043 1.00 0.00 C ATOM 539 CD GLU A 34 117.483 7.310 -12.068 1.00 0.00 C ATOM 540 OE1 GLU A 34 117.217 8.468 -12.345 1.00 0.00 O ATOM 541 OE2 GLU A 34 118.604 6.910 -11.805 1.00 0.00 O1- ATOM 0 H GLU A 34 116.842 2.897 -10.041 1.00 0.00 H new ATOM 0 HA GLU A 34 114.770 4.337 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 34 117.075 5.179 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 117.688 4.618 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 34 115.992 6.105 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 115.490 6.716 -11.495 1.00 0.00 H new ATOM 548 N GLY A 35 114.225 3.986 -13.390 1.00 0.00 N ATOM 549 CA GLY A 35 113.848 3.725 -14.784 1.00 0.00 C ATOM 550 C GLY A 35 112.944 2.499 -14.887 1.00 0.00 C ATOM 551 O GLY A 35 112.581 2.072 -15.984 1.00 0.00 O ATOM 0 H GLY A 35 113.510 4.461 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 35 113.335 4.595 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 35 114.745 3.571 -15.384 1.00 0.00 H new ATOM 555 N GLU A 36 112.569 1.951 -13.733 1.00 0.00 N ATOM 556 CA GLU A 36 111.686 0.784 -13.678 1.00 0.00 C ATOM 557 C GLU A 36 110.374 1.174 -12.996 1.00 0.00 C ATOM 558 O GLU A 36 110.383 1.661 -11.866 1.00 0.00 O ATOM 559 CB GLU A 36 112.358 -0.333 -12.881 1.00 0.00 C ATOM 560 CG GLU A 36 113.620 -0.800 -13.604 1.00 0.00 C ATOM 561 CD GLU A 36 114.240 -1.975 -12.857 1.00 0.00 C ATOM 562 OE1 GLU A 36 113.662 -2.392 -11.869 1.00 0.00 O ATOM 563 OE2 GLU A 36 115.281 -2.445 -13.289 1.00 0.00 O1- ATOM 0 H GLU A 36 112.863 2.297 -12.820 1.00 0.00 H new ATOM 0 HA GLU A 36 111.485 0.435 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 112.611 0.022 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 111.669 -1.168 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 36 113.377 -1.094 -14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 36 114.336 0.019 -13.670 1.00 0.00 H new ATOM 570 N THR A 37 109.252 0.971 -13.682 1.00 0.00 N ATOM 571 CA THR A 37 107.950 1.325 -13.112 1.00 0.00 C ATOM 572 C THR A 37 107.464 0.243 -12.155 1.00 0.00 C ATOM 573 O THR A 37 107.458 -0.940 -12.493 1.00 0.00 O ATOM 574 CB THR A 37 106.919 1.513 -14.227 1.00 0.00 C ATOM 575 OG1 THR A 37 106.492 0.242 -14.695 1.00 0.00 O ATOM 576 CG2 THR A 37 107.545 2.297 -15.375 1.00 0.00 C ATOM 0 H THR A 37 109.214 0.570 -14.619 1.00 0.00 H new ATOM 0 HA THR A 37 108.067 2.258 -12.561 1.00 0.00 H new ATOM 0 HB THR A 37 106.062 2.064 -13.840 1.00 0.00 H new ATOM 0 HG1 THR A 37 106.907 -0.462 -14.154 1.00 0.00 H new ATOM 0 HG21 THR A 37 106.810 2.430 -16.168 1.00 0.00 H new ATOM 0 HG22 THR A 37 107.870 3.273 -15.014 1.00 0.00 H new ATOM 0 HG23 THR A 37 108.403 1.749 -15.764 1.00 0.00 H new ATOM 584 N ALA A 38 107.051 0.659 -10.952 1.00 0.00 N ATOM 585 CA ALA A 38 106.560 -0.289 -9.944 1.00 0.00 C ATOM 586 C ALA A 38 105.041 -0.240 -9.862 1.00 0.00 C ATOM 587 O ALA A 38 104.399 0.650 -10.425 1.00 0.00 O ATOM 588 CB ALA A 38 107.165 0.012 -8.561 1.00 0.00 C ATOM 0 H ALA A 38 107.046 1.635 -10.654 1.00 0.00 H new ATOM 0 HA ALA A 38 106.870 -1.289 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 106.784 -0.705 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 38 108.251 -0.066 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 106.889 1.021 -8.255 1.00 0.00 H new ATOM 594 N ARG A 39 104.483 -1.201 -9.138 1.00 0.00 N ATOM 595 CA ARG A 39 103.043 -1.285 -8.959 1.00 0.00 C ATOM 596 C ARG A 39 102.729 -1.977 -7.649 1.00 0.00 C ATOM 597 O ARG A 39 103.129 -3.120 -7.430 1.00 0.00 O ATOM 598 CB ARG A 39 102.390 -2.080 -10.096 1.00 0.00 C ATOM 599 CG ARG A 39 102.429 -1.290 -11.406 1.00 0.00 C ATOM 600 CD ARG A 39 101.792 -2.133 -12.508 1.00 0.00 C ATOM 601 NE ARG A 39 100.391 -2.383 -12.209 1.00 0.00 N ATOM 602 CZ ARG A 39 99.673 -3.201 -12.965 1.00 0.00 C ATOM 603 NH1 ARG A 39 98.417 -3.407 -12.689 1.00 0.00 N1+ ATOM 604 NH2 ARG A 39 100.226 -3.801 -13.980 1.00 0.00 N ATOM 0 H ARG A 39 105.010 -1.935 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 39 102.647 -0.269 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 39 102.907 -3.031 -10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 39 101.357 -2.312 -9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 39 101.893 -0.347 -11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 39 103.458 -1.043 -11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 39 101.880 -1.619 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 39 102.324 -3.079 -12.605 1.00 0.00 H new ATOM 0 HE ARG A 39 99.956 -1.924 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 39 97.987 -2.939 -11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 39 97.864 -4.036 -13.270 1.00 0.00 H new ATOM 0 HH21 ARG A 39 101.211 -3.641 -14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 39 99.674 -4.431 -14.563 1.00 0.00 H new ATOM 618 N PHE A 40 101.999 -1.289 -6.788 1.00 0.00 N ATOM 619 CA PHE A 40 101.611 -1.852 -5.502 1.00 0.00 C ATOM 620 C PHE A 40 100.121 -1.648 -5.300 1.00 0.00 C ATOM 621 O PHE A 40 99.525 -0.737 -5.875 1.00 0.00 O ATOM 622 CB PHE A 40 102.379 -1.183 -4.358 1.00 0.00 C ATOM 623 CG PHE A 40 103.871 -1.374 -4.540 1.00 0.00 C ATOM 624 CD1 PHE A 40 104.707 -0.258 -4.687 1.00 0.00 C ATOM 625 CD2 PHE A 40 104.422 -2.664 -4.548 1.00 0.00 C ATOM 626 CE1 PHE A 40 106.087 -0.429 -4.841 1.00 0.00 C ATOM 627 CE2 PHE A 40 105.806 -2.831 -4.705 1.00 0.00 C ATOM 628 CZ PHE A 40 106.635 -1.715 -4.850 1.00 0.00 C ATOM 0 H PHE A 40 101.662 -0.341 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 40 101.849 -2.916 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 40 102.143 -0.119 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 40 102.065 -1.607 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 40 104.285 0.736 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 40 103.782 -3.527 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 40 106.729 0.432 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 40 106.232 -3.824 -4.714 1.00 0.00 H new ATOM 0 HZ PHE A 40 107.700 -1.846 -4.969 1.00 0.00 H new ATOM 638 N ARG A 41 99.528 -2.492 -4.470 1.00 0.00 N ATOM 639 CA ARG A 41 98.102 -2.399 -4.174 1.00 0.00 C ATOM 640 C ARG A 41 97.900 -2.395 -2.676 1.00 0.00 C ATOM 641 O ARG A 41 98.667 -3.007 -1.932 1.00 0.00 O ATOM 642 CB ARG A 41 97.338 -3.585 -4.784 1.00 0.00 C ATOM 643 CG ARG A 41 97.425 -3.548 -6.328 1.00 0.00 C ATOM 644 CD ARG A 41 98.608 -4.393 -6.803 1.00 0.00 C ATOM 645 NE ARG A 41 98.349 -5.810 -6.575 1.00 0.00 N ATOM 646 CZ ARG A 41 97.627 -6.530 -7.429 1.00 0.00 C ATOM 647 NH1 ARG A 41 97.334 -6.051 -8.608 1.00 0.00 N1+ ATOM 648 NH2 ARG A 41 97.216 -7.722 -7.086 1.00 0.00 N ATOM 0 H ARG A 41 100.010 -3.251 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 41 97.718 -1.476 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.753 -4.522 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 41 96.294 -3.552 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 41 96.499 -3.926 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.541 -2.520 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 41 98.786 -4.216 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 41 99.512 -4.093 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 41 98.730 -6.259 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 97.659 -5.122 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 41 96.780 -6.606 -9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.449 -8.097 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.662 -8.278 -7.738 1.00 0.00 H new ATOM 662 N CYS A 42 96.859 -1.718 -2.234 1.00 0.00 N ATOM 663 CA CYS A 42 96.552 -1.659 -0.819 1.00 0.00 C ATOM 664 C CYS A 42 95.046 -1.568 -0.637 1.00 0.00 C ATOM 665 O CYS A 42 94.398 -0.704 -1.210 1.00 0.00 O ATOM 666 CB CYS A 42 97.242 -0.450 -0.196 1.00 0.00 C ATOM 667 SG CYS A 42 98.932 -0.319 -0.834 1.00 0.00 S ATOM 0 H CYS A 42 96.213 -1.203 -2.832 1.00 0.00 H new ATOM 0 HA CYS A 42 96.914 -2.559 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 42 96.684 0.458 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 42 97.259 -0.548 0.889 1.00 0.00 H new ATOM 0 HG CYS A 42 99.370 -1.502 -1.149 1.00 0.00 H new ATOM 673 N ARG A 43 94.489 -2.484 0.139 1.00 0.00 N ATOM 674 CA ARG A 43 93.043 -2.520 0.380 1.00 0.00 C ATOM 675 C ARG A 43 92.817 -2.698 1.874 1.00 0.00 C ATOM 676 O ARG A 43 93.775 -2.942 2.608 1.00 0.00 O ATOM 677 CB ARG A 43 92.438 -3.695 -0.415 1.00 0.00 C ATOM 678 CG ARG A 43 90.909 -3.700 -0.302 1.00 0.00 C ATOM 679 CD ARG A 43 90.320 -4.723 -1.278 1.00 0.00 C ATOM 680 NE ARG A 43 90.745 -6.072 -0.924 1.00 0.00 N ATOM 681 CZ ARG A 43 90.122 -6.762 0.028 1.00 0.00 C ATOM 682 NH1 ARG A 43 90.304 -8.049 0.129 1.00 0.00 N1+ ATOM 683 NH2 ARG A 43 89.328 -6.149 0.861 1.00 0.00 N ATOM 0 H ARG A 43 95.012 -3.217 0.617 1.00 0.00 H new ATOM 0 HA ARG A 43 92.562 -1.598 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 43 92.729 -3.619 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 43 92.838 -4.637 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 43 90.611 -3.944 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 43 90.516 -2.707 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 43 89.232 -4.663 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 43 90.639 -4.490 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 43 91.533 -6.494 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 43 90.925 -8.529 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 43 89.825 -8.576 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 43 89.185 -5.142 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 43 88.850 -6.676 1.591 1.00 0.00 H new ATOM 697 N VAL A 44 91.570 -2.623 2.343 1.00 0.00 N ATOM 698 CA VAL A 44 91.267 -2.832 3.756 1.00 0.00 C ATOM 699 C VAL A 44 90.154 -3.880 3.837 1.00 0.00 C ATOM 700 O VAL A 44 89.566 -4.216 2.809 1.00 0.00 O ATOM 701 CB VAL A 44 90.795 -1.528 4.401 1.00 0.00 C ATOM 702 CG1 VAL A 44 91.928 -0.497 4.371 1.00 0.00 C ATOM 703 CG2 VAL A 44 89.590 -0.988 3.627 1.00 0.00 C ATOM 0 H VAL A 44 90.756 -2.419 1.764 1.00 0.00 H new ATOM 0 HA VAL A 44 92.158 -3.167 4.287 1.00 0.00 H new ATOM 0 HB VAL A 44 90.510 -1.717 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 44 91.588 0.431 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 44 92.786 -0.883 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 44 92.218 -0.305 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 44 89.251 -0.058 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 44 89.877 -0.800 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 88.783 -1.720 3.653 1.00 0.00 H new ATOM 713 N THR A 45 89.819 -4.369 5.037 1.00 0.00 N ATOM 714 CA THR A 45 88.721 -5.337 5.171 1.00 0.00 C ATOM 715 C THR A 45 87.770 -4.888 6.269 1.00 0.00 C ATOM 716 O THR A 45 88.189 -4.566 7.380 1.00 0.00 O ATOM 717 CB THR A 45 89.259 -6.730 5.489 1.00 0.00 C ATOM 718 OG1 THR A 45 90.198 -7.112 4.492 1.00 0.00 O ATOM 719 CG2 THR A 45 88.104 -7.731 5.512 1.00 0.00 C ATOM 0 H THR A 45 90.280 -4.118 5.912 1.00 0.00 H new ATOM 0 HA THR A 45 88.186 -5.384 4.223 1.00 0.00 H new ATOM 0 HB THR A 45 89.747 -6.718 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 45 91.097 -6.836 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 45 88.489 -8.725 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 45 87.383 -7.438 6.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 87.615 -7.745 4.538 1.00 0.00 H new ATOM 727 N GLY A 46 86.483 -4.876 5.941 1.00 0.00 N ATOM 728 CA GLY A 46 85.468 -4.468 6.900 1.00 0.00 C ATOM 729 C GLY A 46 84.210 -3.964 6.208 1.00 0.00 C ATOM 730 O GLY A 46 83.361 -4.751 5.791 1.00 0.00 O ATOM 0 H GLY A 46 86.121 -5.142 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 46 85.216 -5.311 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 46 85.869 -3.684 7.543 1.00 0.00 H new ATOM 734 N TYR A 47 84.087 -2.640 6.103 1.00 0.00 N ATOM 735 CA TYR A 47 82.902 -2.028 5.479 1.00 0.00 C ATOM 736 C TYR A 47 83.296 -0.859 4.551 1.00 0.00 C ATOM 737 O TYR A 47 84.466 -0.478 4.500 1.00 0.00 O ATOM 738 CB TYR A 47 81.917 -1.551 6.582 1.00 0.00 C ATOM 739 CG TYR A 47 82.631 -1.417 7.911 1.00 0.00 C ATOM 740 CD1 TYR A 47 82.170 -2.119 9.036 1.00 0.00 C ATOM 741 CD2 TYR A 47 83.745 -0.577 8.020 1.00 0.00 C ATOM 742 CE1 TYR A 47 82.824 -1.980 10.262 1.00 0.00 C ATOM 743 CE2 TYR A 47 84.401 -0.441 9.251 1.00 0.00 C ATOM 744 CZ TYR A 47 83.939 -1.143 10.371 1.00 0.00 C ATOM 745 OH TYR A 47 84.578 -1.005 11.584 1.00 0.00 O ATOM 0 H TYR A 47 84.783 -1.973 6.437 1.00 0.00 H new ATOM 0 HA TYR A 47 82.409 -2.779 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 47 81.481 -0.593 6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 47 81.095 -2.260 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 47 81.310 -2.767 8.953 1.00 0.00 H new ATOM 0 HD2 TYR A 47 84.099 -0.034 7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 47 82.468 -2.520 11.127 1.00 0.00 H new ATOM 0 HE2 TYR A 47 85.262 0.205 9.336 1.00 0.00 H new ATOM 0 HH TYR A 47 85.510 -1.295 11.498 1.00 0.00 H new ATOM 755 N PRO A 48 82.354 -0.300 3.805 1.00 0.00 N ATOM 756 CA PRO A 48 82.636 0.822 2.859 1.00 0.00 C ATOM 757 C PRO A 48 82.884 2.174 3.542 1.00 0.00 C ATOM 758 O PRO A 48 82.402 2.443 4.643 1.00 0.00 O ATOM 759 CB PRO A 48 81.393 0.866 1.928 1.00 0.00 C ATOM 760 CG PRO A 48 80.509 -0.279 2.349 1.00 0.00 C ATOM 761 CD PRO A 48 80.920 -0.649 3.769 1.00 0.00 C ATOM 0 HA PRO A 48 83.567 0.644 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 48 80.869 1.817 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 48 81.686 0.767 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 48 79.458 0.009 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 48 80.630 -1.129 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 48 80.351 -0.090 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 48 80.758 -1.707 3.973 1.00 0.00 H new ATOM 769 N GLN A 49 83.642 3.009 2.841 1.00 0.00 N ATOM 770 CA GLN A 49 83.995 4.353 3.294 1.00 0.00 C ATOM 771 C GLN A 49 84.457 4.398 4.751 1.00 0.00 C ATOM 772 O GLN A 49 83.799 5.008 5.594 1.00 0.00 O ATOM 773 CB GLN A 49 82.785 5.270 3.121 1.00 0.00 C ATOM 774 CG GLN A 49 82.203 5.080 1.717 1.00 0.00 C ATOM 775 CD GLN A 49 81.044 6.046 1.490 1.00 0.00 C ATOM 776 OE1 GLN A 49 81.260 7.199 1.114 1.00 0.00 O ATOM 777 NE2 GLN A 49 79.820 5.644 1.695 1.00 0.00 N ATOM 0 H GLN A 49 84.035 2.771 1.930 1.00 0.00 H new ATOM 0 HA GLN A 49 84.835 4.686 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 49 82.031 5.042 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 49 83.078 6.310 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 49 82.978 5.248 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 49 81.859 4.053 1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 49 79.642 4.689 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 49 79.041 6.285 1.544 1.00 0.00 H new ATOM 786 N PRO A 50 85.599 3.833 5.052 1.00 0.00 N ATOM 787 CA PRO A 50 86.192 3.876 6.415 1.00 0.00 C ATOM 788 C PRO A 50 87.053 5.138 6.565 1.00 0.00 C ATOM 789 O PRO A 50 87.137 5.942 5.636 1.00 0.00 O ATOM 790 CB PRO A 50 87.070 2.597 6.464 1.00 0.00 C ATOM 791 CG PRO A 50 86.933 1.951 5.107 1.00 0.00 C ATOM 792 CD PRO A 50 86.461 3.053 4.164 1.00 0.00 C ATOM 0 HA PRO A 50 85.452 3.907 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 50 88.110 2.845 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 50 86.736 1.923 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 50 87.884 1.534 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 50 86.218 1.129 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 50 87.290 3.643 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 50 85.918 2.657 3.306 1.00 0.00 H new ATOM 800 N LYS A 51 87.737 5.281 7.703 1.00 0.00 N ATOM 801 CA LYS A 51 88.632 6.420 7.913 1.00 0.00 C ATOM 802 C LYS A 51 90.059 5.875 7.878 1.00 0.00 C ATOM 803 O LYS A 51 90.454 5.143 8.779 1.00 0.00 O ATOM 804 CB LYS A 51 88.320 7.073 9.261 1.00 0.00 C ATOM 805 CG LYS A 51 86.856 7.524 9.261 1.00 0.00 C ATOM 806 CD LYS A 51 86.515 8.200 10.590 1.00 0.00 C ATOM 807 CE LYS A 51 85.039 8.613 10.589 1.00 0.00 C ATOM 808 NZ LYS A 51 84.191 7.428 10.909 1.00 0.00 N1+ ATOM 0 H LYS A 51 87.689 4.629 8.486 1.00 0.00 H new ATOM 0 HA LYS A 51 88.504 7.182 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 51 88.498 6.368 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 51 88.978 7.926 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 51 86.680 8.215 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 86.203 6.666 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.713 7.519 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.148 9.075 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 51 84.871 9.402 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 84.764 9.018 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 83.315 7.466 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 84.711 6.557 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 83.955 7.434 11.922 1.00 0.00 H new ATOM 822 N VAL A 52 90.827 6.218 6.837 1.00 0.00 N ATOM 823 CA VAL A 52 92.207 5.720 6.719 1.00 0.00 C ATOM 824 C VAL A 52 93.107 6.709 5.969 1.00 0.00 C ATOM 825 O VAL A 52 92.626 7.608 5.284 1.00 0.00 O ATOM 826 CB VAL A 52 92.225 4.380 5.966 1.00 0.00 C ATOM 827 CG1 VAL A 52 91.255 3.385 6.609 1.00 0.00 C ATOM 828 CG2 VAL A 52 91.808 4.606 4.515 1.00 0.00 C ATOM 0 H VAL A 52 90.526 6.827 6.076 1.00 0.00 H new ATOM 0 HA VAL A 52 92.589 5.594 7.732 1.00 0.00 H new ATOM 0 HB VAL A 52 93.235 3.973 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 52 91.283 2.443 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 52 91.546 3.211 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 52 90.244 3.792 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 52 91.821 3.656 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 52 90.802 5.025 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 52 92.503 5.299 4.040 1.00 0.00 H new ATOM 838 N ASN A 53 94.415 6.488 6.070 1.00 0.00 N ATOM 839 CA ASN A 53 95.405 7.307 5.365 1.00 0.00 C ATOM 840 C ASN A 53 96.726 6.541 5.314 1.00 0.00 C ATOM 841 O ASN A 53 96.850 5.499 5.957 1.00 0.00 O ATOM 842 CB ASN A 53 95.592 8.666 6.043 1.00 0.00 C ATOM 843 CG ASN A 53 95.873 8.495 7.530 1.00 0.00 C ATOM 844 OD1 ASN A 53 95.554 7.458 8.107 1.00 0.00 O ATOM 845 ND2 ASN A 53 96.450 9.463 8.190 1.00 0.00 N ATOM 0 H ASN A 53 94.819 5.743 6.637 1.00 0.00 H new ATOM 0 HA ASN A 53 95.051 7.503 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.416 9.202 5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 53 94.697 9.272 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 53 96.637 9.360 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 53 96.714 10.322 7.708 1.00 0.00 H new ATOM 852 N TRP A 54 97.713 7.017 4.540 1.00 0.00 N ATOM 853 CA TRP A 54 98.991 6.284 4.447 1.00 0.00 C ATOM 854 C TRP A 54 100.182 7.242 4.332 1.00 0.00 C ATOM 855 O TRP A 54 100.015 8.446 4.133 1.00 0.00 O ATOM 856 CB TRP A 54 98.970 5.310 3.243 1.00 0.00 C ATOM 857 CG TRP A 54 97.554 4.998 2.863 1.00 0.00 C ATOM 858 CD1 TRP A 54 96.891 5.578 1.845 1.00 0.00 C ATOM 859 CD2 TRP A 54 96.624 4.061 3.473 1.00 0.00 C ATOM 860 NE1 TRP A 54 95.614 5.053 1.774 1.00 0.00 N ATOM 861 CE2 TRP A 54 95.399 4.118 2.767 1.00 0.00 C ATOM 862 CE3 TRP A 54 96.725 3.177 4.555 1.00 0.00 C ATOM 863 CZ2 TRP A 54 94.310 3.326 3.131 1.00 0.00 C ATOM 864 CZ3 TRP A 54 95.634 2.379 4.925 1.00 0.00 C ATOM 865 CH2 TRP A 54 94.428 2.453 4.215 1.00 0.00 C ATOM 0 H TRP A 54 97.660 7.873 3.988 1.00 0.00 H new ATOM 0 HA TRP A 54 99.110 5.710 5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 54 99.493 5.754 2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 54 99.498 4.391 3.498 1.00 0.00 H new ATOM 0 HD1 TRP A 54 97.293 6.334 1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 54 94.919 5.322 1.077 1.00 0.00 H new ATOM 0 HE3 TRP A 54 97.650 3.110 5.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 93.384 3.387 2.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 95.723 1.703 5.762 1.00 0.00 H new ATOM 0 HH2 TRP A 54 93.591 1.836 4.506 1.00 0.00 H new ATOM 876 N TYR A 55 101.388 6.682 4.475 1.00 0.00 N ATOM 877 CA TYR A 55 102.628 7.464 4.410 1.00 0.00 C ATOM 878 C TYR A 55 103.585 6.928 3.329 1.00 0.00 C ATOM 879 O TYR A 55 104.242 5.910 3.535 1.00 0.00 O ATOM 880 CB TYR A 55 103.363 7.377 5.755 1.00 0.00 C ATOM 881 CG TYR A 55 102.424 7.661 6.909 1.00 0.00 C ATOM 882 CD1 TYR A 55 102.082 8.979 7.235 1.00 0.00 C ATOM 883 CD2 TYR A 55 101.914 6.600 7.669 1.00 0.00 C ATOM 884 CE1 TYR A 55 101.232 9.235 8.319 1.00 0.00 C ATOM 885 CE2 TYR A 55 101.063 6.854 8.749 1.00 0.00 C ATOM 886 CZ TYR A 55 100.722 8.171 9.076 1.00 0.00 C ATOM 887 OH TYR A 55 99.883 8.420 10.145 1.00 0.00 O ATOM 0 H TYR A 55 101.532 5.685 4.637 1.00 0.00 H new ATOM 0 HA TYR A 55 102.349 8.490 4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 55 103.798 6.384 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 55 104.188 8.090 5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 55 102.474 9.799 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 55 102.179 5.583 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 55 100.970 10.252 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 55 100.669 6.034 9.331 1.00 0.00 H new ATOM 0 HH TYR A 55 99.620 7.572 10.559 1.00 0.00 H new ATOM 897 N LEU A 56 103.694 7.624 2.193 1.00 0.00 N ATOM 898 CA LEU A 56 104.616 7.191 1.127 1.00 0.00 C ATOM 899 C LEU A 56 106.012 7.720 1.432 1.00 0.00 C ATOM 900 O LEU A 56 106.161 8.882 1.793 1.00 0.00 O ATOM 901 CB LEU A 56 104.158 7.738 -0.234 1.00 0.00 C ATOM 902 CG LEU A 56 103.114 6.813 -0.847 1.00 0.00 C ATOM 903 CD1 LEU A 56 101.914 6.708 0.094 1.00 0.00 C ATOM 904 CD2 LEU A 56 102.676 7.387 -2.197 1.00 0.00 C ATOM 0 H LEU A 56 103.169 8.473 1.985 1.00 0.00 H new ATOM 0 HA LEU A 56 104.624 6.102 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 103.742 8.738 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 56 105.013 7.829 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 56 103.534 5.818 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 101.166 6.047 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 56 102.238 6.305 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 101.481 7.697 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 101.928 6.733 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 102.249 8.379 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 56 103.539 7.459 -2.859 1.00 0.00 H new ATOM 916 N ASN A 57 107.044 6.889 1.275 1.00 0.00 N ATOM 917 CA ASN A 57 108.407 7.334 1.549 1.00 0.00 C ATOM 918 C ASN A 57 108.481 8.103 2.867 1.00 0.00 C ATOM 919 O ASN A 57 109.504 8.711 3.169 1.00 0.00 O ATOM 920 CB ASN A 57 108.903 8.235 0.412 1.00 0.00 C ATOM 921 CG ASN A 57 108.842 7.494 -0.919 1.00 0.00 C ATOM 922 OD1 ASN A 57 108.376 8.045 -1.917 1.00 0.00 O ATOM 923 ND2 ASN A 57 109.296 6.274 -0.997 1.00 0.00 N ATOM 0 H ASN A 57 106.963 5.921 0.965 1.00 0.00 H new ATOM 0 HA ASN A 57 109.039 6.449 1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 57 108.293 9.137 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 57 109.926 8.553 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 57 109.266 5.774 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 57 109.682 5.819 -0.169 1.00 0.00 H new ATOM 930 N GLY A 58 107.396 8.059 3.652 1.00 0.00 N ATOM 931 CA GLY A 58 107.337 8.764 4.934 1.00 0.00 C ATOM 932 C GLY A 58 106.591 10.101 4.783 1.00 0.00 C ATOM 933 O GLY A 58 106.794 11.027 5.569 1.00 0.00 O ATOM 0 H GLY A 58 106.548 7.542 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 58 106.834 8.142 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 58 108.347 8.944 5.303 1.00 0.00 H new ATOM 937 N GLN A 59 105.729 10.185 3.759 1.00 0.00 N ATOM 938 CA GLN A 59 104.942 11.401 3.477 1.00 0.00 C ATOM 939 C GLN A 59 103.442 11.074 3.441 1.00 0.00 C ATOM 940 O GLN A 59 103.016 10.159 2.741 1.00 0.00 O ATOM 941 CB GLN A 59 105.384 11.988 2.127 1.00 0.00 C ATOM 942 CG GLN A 59 104.604 13.272 1.820 1.00 0.00 C ATOM 943 CD GLN A 59 105.055 13.838 0.477 1.00 0.00 C ATOM 944 OE1 GLN A 59 105.154 13.103 -0.505 1.00 0.00 O ATOM 945 NE2 GLN A 59 105.345 15.107 0.375 1.00 0.00 N ATOM 0 H GLN A 59 105.556 9.420 3.106 1.00 0.00 H new ATOM 0 HA GLN A 59 105.116 12.130 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 59 106.453 12.201 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 59 105.220 11.258 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 59 103.535 13.063 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 59 104.768 14.006 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 59 105.263 15.716 1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 59 105.654 15.489 -0.519 1.00 0.00 H new ATOM 954 N LEU A 60 102.655 11.832 4.206 1.00 0.00 N ATOM 955 CA LEU A 60 101.199 11.647 4.300 1.00 0.00 C ATOM 956 C LEU A 60 100.456 12.330 3.148 1.00 0.00 C ATOM 957 O LEU A 60 100.981 13.269 2.562 1.00 0.00 O ATOM 958 CB LEU A 60 100.732 12.258 5.629 1.00 0.00 C ATOM 959 CG LEU A 60 99.232 12.025 5.856 1.00 0.00 C ATOM 960 CD1 LEU A 60 98.920 10.516 5.916 1.00 0.00 C ATOM 961 CD2 LEU A 60 98.826 12.697 7.178 1.00 0.00 C ATOM 0 H LEU A 60 103.008 12.596 4.782 1.00 0.00 H new ATOM 0 HA LEU A 60 100.978 10.581 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 101.298 11.820 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 60 100.940 13.328 5.632 1.00 0.00 H new ATOM 0 HG LEU A 60 98.668 12.455 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 60 97.852 10.371 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 60 99.212 10.046 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 99.476 10.062 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 60 97.762 12.540 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 60 99.397 12.262 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 60 99.031 13.766 7.121 1.00 0.00 H new ATOM 973 N ILE A 61 99.251 11.809 2.823 1.00 0.00 N ATOM 974 CA ILE A 61 98.403 12.342 1.729 1.00 0.00 C ATOM 975 C ILE A 61 99.086 12.227 0.370 1.00 0.00 C ATOM 976 O ILE A 61 100.041 12.939 0.066 1.00 0.00 O ATOM 977 CB ILE A 61 97.823 13.764 1.988 1.00 0.00 C ATOM 978 CG1 ILE A 61 97.029 14.240 0.756 1.00 0.00 C ATOM 979 CG2 ILE A 61 98.907 14.794 2.284 1.00 0.00 C ATOM 980 CD1 ILE A 61 95.975 13.204 0.348 1.00 0.00 C ATOM 0 H ILE A 61 98.840 11.012 3.308 1.00 0.00 H new ATOM 0 HA ILE A 61 97.527 11.694 1.712 1.00 0.00 H new ATOM 0 HB ILE A 61 97.178 13.683 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 96.543 15.191 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 61 97.712 14.416 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 61 98.447 15.767 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 99.463 14.493 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 99.588 14.860 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 61 95.429 13.564 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 61 96.466 12.262 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 61 95.280 13.048 1.173 1.00 0.00 H new ATOM 992 N ARG A 62 98.546 11.324 -0.449 1.00 0.00 N ATOM 993 CA ARG A 62 99.048 11.095 -1.797 1.00 0.00 C ATOM 994 C ARG A 62 98.299 11.980 -2.782 1.00 0.00 C ATOM 995 O ARG A 62 97.148 12.349 -2.543 1.00 0.00 O ATOM 996 CB ARG A 62 98.835 9.632 -2.198 1.00 0.00 C ATOM 997 CG ARG A 62 99.618 8.690 -1.252 1.00 0.00 C ATOM 998 CD ARG A 62 98.692 8.131 -0.160 1.00 0.00 C ATOM 999 NE ARG A 62 98.262 9.197 0.739 1.00 0.00 N ATOM 1000 CZ ARG A 62 97.162 9.079 1.477 1.00 0.00 C ATOM 1001 NH1 ARG A 62 97.182 9.409 2.740 1.00 0.00 N1+ ATOM 1002 NH2 ARG A 62 96.060 8.635 0.938 1.00 0.00 N ATOM 0 H ARG A 62 97.753 10.735 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 62 100.112 11.331 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 62 97.773 9.390 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 62 99.163 9.479 -3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 62 100.052 7.870 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 62 100.445 9.231 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 97.822 7.660 -0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 62 99.212 7.358 0.405 1.00 0.00 H new ATOM 0 HE ARG A 62 98.817 10.051 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 62 98.042 9.758 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 62 96.337 9.318 3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 62 96.042 8.379 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 62 95.216 8.544 1.504 1.00 0.00 H new ATOM 1016 N LYS A 63 98.946 12.308 -3.892 1.00 0.00 N ATOM 1017 CA LYS A 63 98.310 13.143 -4.901 1.00 0.00 C ATOM 1018 C LYS A 63 97.208 12.362 -5.612 1.00 0.00 C ATOM 1019 O LYS A 63 97.277 11.139 -5.741 1.00 0.00 O ATOM 1020 CB LYS A 63 99.356 13.639 -5.910 1.00 0.00 C ATOM 1021 CG LYS A 63 100.397 14.519 -5.194 1.00 0.00 C ATOM 1022 CD LYS A 63 99.876 15.968 -5.056 1.00 0.00 C ATOM 1023 CE LYS A 63 100.567 16.661 -3.876 1.00 0.00 C ATOM 1024 NZ LYS A 63 102.023 16.813 -4.160 1.00 0.00 N1+ ATOM 0 H LYS A 63 99.897 12.014 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 63 97.861 14.008 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 63 99.849 12.790 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 63 98.869 14.208 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 100.613 14.108 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 101.333 14.514 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.066 16.521 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 63 98.797 15.963 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.117 17.639 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.424 16.078 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 102.464 17.387 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 102.471 15.875 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 102.150 17.284 -5.079 1.00 0.00 H new ATOM 1038 N SER A 64 96.179 13.085 -6.033 1.00 0.00 N ATOM 1039 CA SER A 64 95.024 12.488 -6.698 1.00 0.00 C ATOM 1040 C SER A 64 95.302 12.116 -8.157 1.00 0.00 C ATOM 1041 O SER A 64 96.356 11.582 -8.477 1.00 0.00 O ATOM 1042 CB SER A 64 93.845 13.458 -6.624 1.00 0.00 C ATOM 1043 OG SER A 64 93.945 14.395 -7.688 1.00 0.00 O ATOM 0 H SER A 64 96.119 14.097 -5.925 1.00 0.00 H new ATOM 0 HA SER A 64 94.791 11.559 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 64 92.904 12.912 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 93.845 13.977 -5.665 1.00 0.00 H new ATOM 0 HG SER A 64 93.190 15.019 -7.647 1.00 0.00 H new ATOM 1049 N LYS A 65 94.300 12.369 -9.006 1.00 0.00 N ATOM 1050 CA LYS A 65 94.331 12.051 -10.447 1.00 0.00 C ATOM 1051 C LYS A 65 95.726 11.765 -11.016 1.00 0.00 C ATOM 1052 O LYS A 65 95.857 10.905 -11.889 1.00 0.00 O ATOM 1053 CB LYS A 65 93.697 13.197 -11.241 1.00 0.00 C ATOM 1054 CG LYS A 65 92.194 13.253 -10.951 1.00 0.00 C ATOM 1055 CD LYS A 65 91.565 14.461 -11.667 1.00 0.00 C ATOM 1056 CE LYS A 65 91.316 14.145 -13.148 1.00 0.00 C ATOM 1057 NZ LYS A 65 90.412 15.183 -13.726 1.00 0.00 N1+ ATOM 0 H LYS A 65 93.428 12.808 -8.711 1.00 0.00 H new ATOM 0 HA LYS A 65 93.765 11.125 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 65 94.165 14.143 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 65 93.867 13.051 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 65 91.716 12.332 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 92.025 13.328 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 65 90.625 14.727 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 65 92.224 15.325 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 65 92.261 14.125 -13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 65 90.868 13.157 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 90.240 14.973 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 89.508 15.181 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 90.858 16.119 -13.639 1.00 0.00 H new ATOM 1071 N ARG A 66 96.763 12.462 -10.563 1.00 0.00 N ATOM 1072 CA ARG A 66 98.091 12.207 -11.112 1.00 0.00 C ATOM 1073 C ARG A 66 98.467 10.753 -10.816 1.00 0.00 C ATOM 1074 O ARG A 66 99.004 10.050 -11.672 1.00 0.00 O ATOM 1075 CB ARG A 66 99.116 13.174 -10.505 1.00 0.00 C ATOM 1076 CG ARG A 66 100.471 12.984 -11.193 1.00 0.00 C ATOM 1077 CD ARG A 66 101.503 13.928 -10.568 1.00 0.00 C ATOM 1078 NE ARG A 66 102.811 13.747 -11.199 1.00 0.00 N ATOM 1079 CZ ARG A 66 103.163 14.420 -12.297 1.00 0.00 C ATOM 1080 NH1 ARG A 66 104.170 14.006 -13.016 1.00 0.00 N1+ ATOM 1081 NH2 ARG A 66 102.512 15.494 -12.654 1.00 0.00 N ATOM 0 H ARG A 66 96.716 13.183 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 66 98.087 12.369 -12.190 1.00 0.00 H new ATOM 0 HB2 ARG A 66 98.776 14.203 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 66 99.212 12.993 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 66 100.800 11.950 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 66 100.379 13.185 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 66 101.177 14.961 -10.684 1.00 0.00 H new ATOM 0 HD3 ARG A 66 101.579 13.736 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 66 103.472 13.088 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 104.685 13.171 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 66 104.442 14.518 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 66 101.728 15.825 -12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 66 102.788 16.002 -13.494 1.00 0.00 H new ATOM 1095 N PHE A 67 98.128 10.302 -9.606 1.00 0.00 N ATOM 1096 CA PHE A 67 98.368 8.917 -9.181 1.00 0.00 C ATOM 1097 C PHE A 67 97.031 8.270 -8.812 1.00 0.00 C ATOM 1098 O PHE A 67 96.118 8.956 -8.349 1.00 0.00 O ATOM 1099 CB PHE A 67 99.312 8.884 -7.976 1.00 0.00 C ATOM 1100 CG PHE A 67 100.718 9.194 -8.431 1.00 0.00 C ATOM 1101 CD1 PHE A 67 101.540 8.166 -8.906 1.00 0.00 C ATOM 1102 CD2 PHE A 67 101.196 10.508 -8.382 1.00 0.00 C ATOM 1103 CE1 PHE A 67 102.842 8.451 -9.332 1.00 0.00 C ATOM 1104 CE2 PHE A 67 102.499 10.794 -8.807 1.00 0.00 C ATOM 1105 CZ PHE A 67 103.322 9.766 -9.282 1.00 0.00 C ATOM 0 H PHE A 67 97.682 10.881 -8.895 1.00 0.00 H new ATOM 0 HA PHE A 67 98.833 8.365 -9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 67 98.991 9.610 -7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 67 99.280 7.903 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 67 101.169 7.152 -8.944 1.00 0.00 H new ATOM 0 HD2 PHE A 67 100.560 11.301 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 67 103.476 7.658 -9.699 1.00 0.00 H new ATOM 0 HE2 PHE A 67 102.869 11.808 -8.768 1.00 0.00 H new ATOM 0 HZ PHE A 67 104.327 9.987 -9.610 1.00 0.00 H new ATOM 1115 N ARG A 68 96.898 6.963 -9.036 1.00 0.00 N ATOM 1116 CA ARG A 68 95.640 6.280 -8.735 1.00 0.00 C ATOM 1117 C ARG A 68 95.413 6.173 -7.236 1.00 0.00 C ATOM 1118 O ARG A 68 96.186 5.531 -6.521 1.00 0.00 O ATOM 1119 CB ARG A 68 95.660 4.870 -9.321 1.00 0.00 C ATOM 1120 CG ARG A 68 95.649 4.940 -10.844 1.00 0.00 C ATOM 1121 CD ARG A 68 95.820 3.532 -11.416 1.00 0.00 C ATOM 1122 NE ARG A 68 94.714 2.682 -10.991 1.00 0.00 N ATOM 1123 CZ ARG A 68 94.688 1.386 -11.281 1.00 0.00 C ATOM 1124 NH1 ARG A 68 95.788 0.766 -11.618 1.00 0.00 N1+ ATOM 1125 NH2 ARG A 68 93.561 0.731 -11.227 1.00 0.00 N ATOM 0 H ARG A 68 97.631 6.365 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 68 94.834 6.866 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 68 96.548 4.337 -8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 68 94.795 4.308 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 68 94.713 5.375 -11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 68 96.452 5.588 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 68 95.858 3.575 -12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 68 96.766 3.107 -11.080 1.00 0.00 H new ATOM 0 HE ARG A 68 93.945 3.091 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 96.670 1.277 -11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 95.765 -0.229 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 68 92.702 1.214 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 68 93.538 -0.264 -11.449 1.00 0.00 H new ATOM 1139 N VAL A 69 94.333 6.794 -6.768 1.00 0.00 N ATOM 1140 CA VAL A 69 93.993 6.750 -5.353 1.00 0.00 C ATOM 1141 C VAL A 69 92.489 6.954 -5.151 1.00 0.00 C ATOM 1142 O VAL A 69 91.880 7.820 -5.777 1.00 0.00 O ATOM 1143 CB VAL A 69 94.785 7.826 -4.597 1.00 0.00 C ATOM 1144 CG1 VAL A 69 94.171 9.207 -4.831 1.00 0.00 C ATOM 1145 CG2 VAL A 69 94.775 7.526 -3.098 1.00 0.00 C ATOM 0 H VAL A 69 93.684 7.329 -7.345 1.00 0.00 H new ATOM 0 HA VAL A 69 94.257 5.769 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 69 95.810 7.820 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 69 94.745 9.957 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 69 94.189 9.437 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 69 93.140 9.212 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 69 95.339 8.294 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 69 93.747 7.517 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 95.232 6.553 -2.919 1.00 0.00 H new ATOM 1155 N ARG A 70 91.907 6.175 -4.248 1.00 0.00 N ATOM 1156 CA ARG A 70 90.483 6.294 -3.932 1.00 0.00 C ATOM 1157 C ARG A 70 90.321 6.249 -2.422 1.00 0.00 C ATOM 1158 O ARG A 70 90.383 5.184 -1.813 1.00 0.00 O ATOM 1159 CB ARG A 70 89.688 5.154 -4.575 1.00 0.00 C ATOM 1160 CG ARG A 70 89.709 5.310 -6.099 1.00 0.00 C ATOM 1161 CD ARG A 70 88.987 4.126 -6.747 1.00 0.00 C ATOM 1162 NE ARG A 70 87.573 4.138 -6.388 1.00 0.00 N ATOM 1163 CZ ARG A 70 86.760 3.155 -6.762 1.00 0.00 C ATOM 1164 NH1 ARG A 70 85.768 2.802 -5.990 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 70 86.953 2.543 -7.900 1.00 0.00 N ATOM 0 H ARG A 70 92.396 5.453 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 70 90.101 7.236 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 70 90.117 4.193 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 70 88.660 5.164 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 89.226 6.244 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 70 90.738 5.361 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 70 89.095 4.174 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 70 89.444 3.191 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 70 87.202 4.914 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 70 85.618 3.280 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 70 85.143 2.048 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 70 87.728 2.819 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 70 86.329 1.789 -8.186 1.00 0.00 H new ATOM 1179 N TYR A 71 90.132 7.409 -1.811 1.00 0.00 N ATOM 1180 CA TYR A 71 90.001 7.456 -0.367 1.00 0.00 C ATOM 1181 C TYR A 71 88.685 6.822 0.050 1.00 0.00 C ATOM 1182 O TYR A 71 87.664 7.497 0.173 1.00 0.00 O ATOM 1183 CB TYR A 71 90.050 8.917 0.094 1.00 0.00 C ATOM 1184 CG TYR A 71 90.293 8.999 1.582 1.00 0.00 C ATOM 1185 CD1 TYR A 71 89.222 8.906 2.480 1.00 0.00 C ATOM 1186 CD2 TYR A 71 91.595 9.187 2.064 1.00 0.00 C ATOM 1187 CE1 TYR A 71 89.454 8.998 3.858 1.00 0.00 C ATOM 1188 CE2 TYR A 71 91.826 9.278 3.441 1.00 0.00 C ATOM 1189 CZ TYR A 71 90.755 9.185 4.338 1.00 0.00 C ATOM 1190 OH TYR A 71 90.983 9.273 5.696 1.00 0.00 O ATOM 0 H TYR A 71 90.067 8.311 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 71 90.819 6.903 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 71 90.841 9.445 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 71 89.112 9.414 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 71 88.218 8.763 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 71 92.421 9.262 1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 71 88.628 8.925 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 71 92.830 9.420 3.812 1.00 0.00 H new ATOM 0 HH TYR A 71 91.850 8.869 5.909 1.00 0.00 H new ATOM 1200 N ASP A 72 88.722 5.508 0.247 1.00 0.00 N ATOM 1201 CA ASP A 72 87.538 4.756 0.627 1.00 0.00 C ATOM 1202 C ASP A 72 87.922 3.308 0.918 1.00 0.00 C ATOM 1203 O ASP A 72 87.126 2.390 0.718 1.00 0.00 O ATOM 1204 CB ASP A 72 86.527 4.800 -0.517 1.00 0.00 C ATOM 1205 CG ASP A 72 87.199 4.351 -1.811 1.00 0.00 C ATOM 1206 OD1 ASP A 72 86.636 4.597 -2.864 1.00 0.00 O ATOM 1207 OD2 ASP A 72 88.271 3.772 -1.731 1.00 0.00 O1- ATOM 0 H ASP A 72 89.565 4.942 0.148 1.00 0.00 H new ATOM 0 HA ASP A 72 87.097 5.195 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 72 85.679 4.153 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 72 86.135 5.811 -0.631 1.00 0.00 H new ATOM 1212 N GLY A 73 89.159 3.114 1.378 1.00 0.00 N ATOM 1213 CA GLY A 73 89.670 1.776 1.688 1.00 0.00 C ATOM 1214 C GLY A 73 90.652 1.306 0.615 1.00 0.00 C ATOM 1215 O GLY A 73 91.453 0.394 0.852 1.00 0.00 O ATOM 0 H GLY A 73 89.827 3.867 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 73 90.164 1.787 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 73 88.840 1.073 1.760 1.00 0.00 H new ATOM 1219 N ILE A 74 90.548 1.903 -0.580 1.00 0.00 N ATOM 1220 CA ILE A 74 91.402 1.526 -1.715 1.00 0.00 C ATOM 1221 C ILE A 74 92.432 2.599 -2.040 1.00 0.00 C ATOM 1222 O ILE A 74 92.093 3.730 -2.368 1.00 0.00 O ATOM 1223 CB ILE A 74 90.530 1.298 -2.945 1.00 0.00 C ATOM 1224 CG1 ILE A 74 89.639 0.087 -2.700 1.00 0.00 C ATOM 1225 CG2 ILE A 74 91.408 1.053 -4.176 1.00 0.00 C ATOM 1226 CD1 ILE A 74 88.593 0.001 -3.803 1.00 0.00 C ATOM 0 H ILE A 74 89.882 2.648 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 74 91.936 0.617 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 74 89.916 2.181 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 74 90.239 -0.823 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 74 89.153 0.169 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 74 90.775 0.891 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 74 92.046 1.920 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 74 92.029 0.173 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.953 -0.865 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 74 87.986 0.907 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 74 89.089 -0.101 -4.768 1.00 0.00 H new ATOM 1238 N HIS A 75 93.696 2.220 -1.953 1.00 0.00 N ATOM 1239 CA HIS A 75 94.790 3.135 -2.242 1.00 0.00 C ATOM 1240 C HIS A 75 95.890 2.445 -3.049 1.00 0.00 C ATOM 1241 O HIS A 75 96.644 1.627 -2.521 1.00 0.00 O ATOM 1242 CB HIS A 75 95.365 3.684 -0.923 1.00 0.00 C ATOM 1243 CG HIS A 75 95.285 2.649 0.175 1.00 0.00 C ATOM 1244 ND1 HIS A 75 94.255 1.871 0.663 1.00 0.00 N flip ATOM 1245 CD2 HIS A 75 96.387 2.339 0.955 1.00 0.00 C flip ATOM 1246 CE1 HIS A 75 94.717 1.098 1.724 1.00 0.00 C flip ATOM 1247 NE2 HIS A 75 96.003 1.420 1.858 1.00 0.00 N flip ATOM 0 H HIS A 75 93.992 1.282 -1.684 1.00 0.00 H new ATOM 0 HA HIS A 75 94.402 3.958 -2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.403 3.983 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 75 94.815 4.577 -0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 75 97.377 2.760 0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 75 94.154 0.389 2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 75 96.622 1.017 2.562 1.00 0.00 H new ATOM 1255 N TYR A 76 95.974 2.780 -4.337 1.00 0.00 N ATOM 1256 CA TYR A 76 96.990 2.187 -5.208 1.00 0.00 C ATOM 1257 C TYR A 76 98.228 3.084 -5.213 1.00 0.00 C ATOM 1258 O TYR A 76 98.176 4.218 -5.688 1.00 0.00 O ATOM 1259 CB TYR A 76 96.451 2.059 -6.636 1.00 0.00 C ATOM 1260 CG TYR A 76 95.209 1.192 -6.647 1.00 0.00 C ATOM 1261 CD1 TYR A 76 95.315 -0.189 -6.444 1.00 0.00 C ATOM 1262 CD2 TYR A 76 93.951 1.769 -6.877 1.00 0.00 C ATOM 1263 CE1 TYR A 76 94.167 -0.994 -6.468 1.00 0.00 C ATOM 1264 CE2 TYR A 76 92.804 0.964 -6.899 1.00 0.00 C ATOM 1265 CZ TYR A 76 92.912 -0.417 -6.696 1.00 0.00 C ATOM 1266 OH TYR A 76 91.782 -1.210 -6.720 1.00 0.00 O ATOM 0 H TYR A 76 95.358 3.451 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 76 97.248 1.195 -4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 76 96.218 3.046 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 76 97.213 1.625 -7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 76 96.283 -0.635 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 76 93.866 2.834 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 76 94.251 -2.059 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 76 91.836 1.410 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 76 90.994 -0.652 -6.889 1.00 0.00 H new ATOM 1276 N LEU A 77 99.347 2.563 -4.700 1.00 0.00 N ATOM 1277 CA LEU A 77 100.612 3.309 -4.661 1.00 0.00 C ATOM 1278 C LEU A 77 101.498 2.900 -5.840 1.00 0.00 C ATOM 1279 O LEU A 77 102.201 1.893 -5.765 1.00 0.00 O ATOM 1280 CB LEU A 77 101.332 3.035 -3.338 1.00 0.00 C ATOM 1281 CG LEU A 77 100.322 3.095 -2.182 1.00 0.00 C ATOM 1282 CD1 LEU A 77 101.061 2.987 -0.847 1.00 0.00 C ATOM 1283 CD2 LEU A 77 99.540 4.415 -2.231 1.00 0.00 C ATOM 0 H LEU A 77 99.404 1.625 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 77 100.402 4.376 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.809 2.055 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.122 3.770 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 77 99.623 2.264 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 77 100.342 3.030 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 101.602 2.041 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 77 101.766 3.813 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 98.827 4.446 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 77 100.233 5.252 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 77 99.004 4.485 -3.177 1.00 0.00 H new ATOM 1295 N ASP A 78 101.441 3.659 -6.941 1.00 0.00 N ATOM 1296 CA ASP A 78 102.228 3.329 -8.145 1.00 0.00 C ATOM 1297 C ASP A 78 103.228 4.431 -8.524 1.00 0.00 C ATOM 1298 O ASP A 78 102.999 5.613 -8.276 1.00 0.00 O ATOM 1299 CB ASP A 78 101.271 3.108 -9.314 1.00 0.00 C ATOM 1300 CG ASP A 78 100.425 4.358 -9.525 1.00 0.00 C ATOM 1301 OD1 ASP A 78 100.177 5.050 -8.553 1.00 0.00 O ATOM 1302 OD2 ASP A 78 100.044 4.608 -10.657 1.00 0.00 O1- ATOM 0 H ASP A 78 100.866 4.497 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 78 102.803 2.430 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 78 101.833 2.880 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 78 100.628 2.251 -9.114 1.00 0.00 H new ATOM 1307 N ILE A 79 104.331 4.008 -9.158 1.00 0.00 N ATOM 1308 CA ILE A 79 105.389 4.920 -9.628 1.00 0.00 C ATOM 1309 C ILE A 79 105.644 4.676 -11.124 1.00 0.00 C ATOM 1310 O ILE A 79 105.198 3.662 -11.665 1.00 0.00 O ATOM 1311 CB ILE A 79 106.671 4.754 -8.800 1.00 0.00 C ATOM 1312 CG1 ILE A 79 106.929 3.271 -8.520 1.00 0.00 C ATOM 1313 CG2 ILE A 79 106.520 5.499 -7.466 1.00 0.00 C ATOM 1314 CD1 ILE A 79 108.392 3.055 -8.089 1.00 0.00 C ATOM 0 H ILE A 79 104.517 3.026 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 79 105.060 5.950 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 79 107.510 5.165 -9.362 1.00 0.00 H new ATOM 0 HG12 ILE A 79 106.257 2.919 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 79 106.715 2.683 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 79 107.430 5.381 -6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 79 106.347 6.558 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 79 105.675 5.088 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 79 108.561 1.996 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 79 109.059 3.388 -8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 79 108.593 3.628 -7.184 1.00 0.00 H new ATOM 1326 N VAL A 80 106.368 5.591 -11.793 1.00 0.00 N ATOM 1327 CA VAL A 80 106.662 5.446 -13.227 1.00 0.00 C ATOM 1328 C VAL A 80 108.136 5.747 -13.477 1.00 0.00 C ATOM 1329 O VAL A 80 108.831 6.216 -12.580 1.00 0.00 O ATOM 1330 CB VAL A 80 105.792 6.423 -14.037 1.00 0.00 C ATOM 1331 CG1 VAL A 80 105.945 6.159 -15.542 1.00 0.00 C ATOM 1332 CG2 VAL A 80 104.327 6.236 -13.646 1.00 0.00 C ATOM 0 H VAL A 80 106.757 6.432 -11.366 1.00 0.00 H new ATOM 0 HA VAL A 80 106.441 4.425 -13.539 1.00 0.00 H new ATOM 0 HB VAL A 80 106.114 7.442 -13.820 1.00 0.00 H new ATOM 0 HG11 VAL A 80 105.323 6.859 -16.099 1.00 0.00 H new ATOM 0 HG12 VAL A 80 106.988 6.291 -15.830 1.00 0.00 H new ATOM 0 HG13 VAL A 80 105.633 5.139 -15.766 1.00 0.00 H new ATOM 0 HG21 VAL A 80 103.707 6.926 -14.218 1.00 0.00 H new ATOM 0 HG22 VAL A 80 104.021 5.212 -13.860 1.00 0.00 H new ATOM 0 HG23 VAL A 80 104.206 6.436 -12.581 1.00 0.00 H new ATOM 1342 N ASP A 81 108.606 5.471 -14.692 1.00 0.00 N ATOM 1343 CA ASP A 81 109.999 5.721 -15.046 1.00 0.00 C ATOM 1344 C ASP A 81 110.311 7.214 -14.955 1.00 0.00 C ATOM 1345 O ASP A 81 110.578 7.873 -15.959 1.00 0.00 O ATOM 1346 CB ASP A 81 110.257 5.223 -16.466 1.00 0.00 C ATOM 1347 CG ASP A 81 110.187 3.699 -16.501 1.00 0.00 C ATOM 1348 OD1 ASP A 81 109.970 3.160 -17.572 1.00 0.00 O ATOM 1349 OD2 ASP A 81 110.354 3.093 -15.453 1.00 0.00 O1- ATOM 0 H ASP A 81 108.043 5.075 -15.445 1.00 0.00 H new ATOM 0 HA ASP A 81 110.645 5.188 -14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 81 109.520 5.646 -17.149 1.00 0.00 H new ATOM 0 HB3 ASP A 81 111.236 5.559 -16.807 1.00 0.00 H new ATOM 1354 N CYS A 82 110.273 7.728 -13.734 1.00 0.00 N ATOM 1355 CA CYS A 82 110.547 9.132 -13.468 1.00 0.00 C ATOM 1356 C CYS A 82 110.329 9.406 -11.986 1.00 0.00 C ATOM 1357 O CYS A 82 109.296 9.031 -11.433 1.00 0.00 O ATOM 1358 CB CYS A 82 109.628 10.035 -14.314 1.00 0.00 C ATOM 1359 SG CYS A 82 108.043 9.204 -14.595 1.00 0.00 S ATOM 0 H CYS A 82 110.051 7.183 -12.901 1.00 0.00 H new ATOM 0 HA CYS A 82 111.580 9.354 -13.737 1.00 0.00 H new ATOM 0 HB2 CYS A 82 109.466 10.985 -13.804 1.00 0.00 H new ATOM 0 HB3 CYS A 82 110.104 10.263 -15.268 1.00 0.00 H new ATOM 0 HG CYS A 82 107.271 9.971 -15.307 1.00 0.00 H new ATOM 1365 N LYS A 83 111.310 10.033 -11.341 1.00 0.00 N ATOM 1366 CA LYS A 83 111.214 10.322 -9.916 1.00 0.00 C ATOM 1367 C LYS A 83 111.156 9.021 -9.133 1.00 0.00 C ATOM 1368 O LYS A 83 110.154 8.724 -8.483 1.00 0.00 O ATOM 1369 CB LYS A 83 109.962 11.153 -9.613 1.00 0.00 C ATOM 1370 CG LYS A 83 109.863 12.305 -10.612 1.00 0.00 C ATOM 1371 CD LYS A 83 108.615 13.137 -10.309 1.00 0.00 C ATOM 1372 CE LYS A 83 108.502 14.279 -11.320 1.00 0.00 C ATOM 1373 NZ LYS A 83 107.258 15.057 -11.052 1.00 0.00 N1+ ATOM 0 H LYS A 83 112.175 10.348 -11.781 1.00 0.00 H new ATOM 0 HA LYS A 83 112.094 10.893 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 83 109.072 10.526 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 83 110.008 11.542 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 83 110.754 12.930 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 83 109.815 11.916 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 83 107.726 12.508 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 83 108.670 13.538 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 83 109.373 14.930 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 83 108.484 13.881 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 107.180 15.834 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 106.432 14.432 -11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 107.294 15.448 -10.089 1.00 0.00 H new ATOM 1387 N SER A 84 112.236 8.236 -9.201 1.00 0.00 N ATOM 1388 CA SER A 84 112.294 6.962 -8.500 1.00 0.00 C ATOM 1389 C SER A 84 113.617 6.816 -7.737 1.00 0.00 C ATOM 1390 O SER A 84 113.638 6.283 -6.637 1.00 0.00 O ATOM 1391 CB SER A 84 112.140 5.830 -9.522 1.00 0.00 C ATOM 1392 OG SER A 84 111.221 6.240 -10.528 1.00 0.00 O ATOM 0 H SER A 84 113.075 8.464 -9.734 1.00 0.00 H new ATOM 0 HA SER A 84 111.485 6.915 -7.771 1.00 0.00 H new ATOM 0 HB2 SER A 84 113.105 5.591 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 84 111.783 4.925 -9.031 1.00 0.00 H new ATOM 0 HG SER A 84 111.117 5.523 -11.188 1.00 0.00 H new ATOM 1398 N TYR A 85 114.711 7.286 -8.345 1.00 0.00 N ATOM 1399 CA TYR A 85 116.057 7.194 -7.744 1.00 0.00 C ATOM 1400 C TYR A 85 116.135 7.812 -6.348 1.00 0.00 C ATOM 1401 O TYR A 85 116.831 8.806 -6.141 1.00 0.00 O ATOM 1402 CB TYR A 85 117.072 7.882 -8.673 1.00 0.00 C ATOM 1403 CG TYR A 85 118.430 8.034 -8.004 1.00 0.00 C ATOM 1404 CD1 TYR A 85 119.079 6.919 -7.458 1.00 0.00 C ATOM 1405 CD2 TYR A 85 119.038 9.296 -7.936 1.00 0.00 C ATOM 1406 CE1 TYR A 85 120.328 7.064 -6.848 1.00 0.00 C ATOM 1407 CE2 TYR A 85 120.289 9.438 -7.324 1.00 0.00 C ATOM 1408 CZ TYR A 85 120.933 8.322 -6.779 1.00 0.00 C ATOM 1409 OH TYR A 85 122.166 8.462 -6.179 1.00 0.00 O ATOM 0 H TYR A 85 114.696 7.738 -9.259 1.00 0.00 H new ATOM 0 HA TYR A 85 116.289 6.135 -7.631 1.00 0.00 H new ATOM 0 HB2 TYR A 85 117.180 7.301 -9.589 1.00 0.00 H new ATOM 0 HB3 TYR A 85 116.696 8.864 -8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 85 118.613 5.946 -7.509 1.00 0.00 H new ATOM 0 HD2 TYR A 85 118.541 10.158 -8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 85 120.827 6.202 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 85 120.757 10.410 -7.273 1.00 0.00 H new ATOM 0 HH TYR A 85 122.444 9.401 -6.217 1.00 0.00 H new ATOM 1419 N ASP A 86 115.420 7.242 -5.387 1.00 0.00 N ATOM 1420 CA ASP A 86 115.440 7.774 -4.035 1.00 0.00 C ATOM 1421 C ASP A 86 114.877 6.747 -3.054 1.00 0.00 C ATOM 1422 O ASP A 86 113.737 6.300 -3.190 1.00 0.00 O ATOM 1423 CB ASP A 86 114.615 9.061 -3.977 1.00 0.00 C ATOM 1424 CG ASP A 86 114.834 9.767 -2.644 1.00 0.00 C ATOM 1425 OD1 ASP A 86 115.776 9.414 -1.955 1.00 0.00 O ATOM 1426 OD2 ASP A 86 114.055 10.654 -2.333 1.00 0.00 O1- ATOM 0 H ASP A 86 114.827 6.422 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 86 116.470 7.994 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 86 114.899 9.721 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 86 113.558 8.830 -4.105 1.00 0.00 H new ATOM 1431 N THR A 87 115.695 6.335 -2.091 1.00 0.00 N ATOM 1432 CA THR A 87 115.263 5.334 -1.119 1.00 0.00 C ATOM 1433 C THR A 87 114.511 5.979 0.045 1.00 0.00 C ATOM 1434 O THR A 87 115.003 6.924 0.664 1.00 0.00 O ATOM 1435 CB THR A 87 116.482 4.569 -0.597 1.00 0.00 C ATOM 1436 OG1 THR A 87 117.307 5.449 0.153 1.00 0.00 O ATOM 1437 CG2 THR A 87 117.279 4.007 -1.777 1.00 0.00 C ATOM 0 H THR A 87 116.649 6.673 -1.962 1.00 0.00 H new ATOM 0 HA THR A 87 114.581 4.644 -1.616 1.00 0.00 H new ATOM 0 HB THR A 87 116.149 3.749 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 87 116.767 6.192 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 87 118.147 3.463 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 87 116.647 3.331 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 87 117.611 4.826 -2.415 1.00 0.00 H new ATOM 1445 N GLY A 88 113.312 5.460 0.344 1.00 0.00 N ATOM 1446 CA GLY A 88 112.497 5.994 1.437 1.00 0.00 C ATOM 1447 C GLY A 88 111.828 4.867 2.227 1.00 0.00 C ATOM 1448 O GLY A 88 112.306 3.725 2.238 1.00 0.00 O ATOM 0 H GLY A 88 112.890 4.676 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.122 6.588 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 88 111.735 6.662 1.034 1.00 0.00 H new ATOM 1452 N GLU A 89 110.705 5.179 2.877 1.00 0.00 N ATOM 1453 CA GLU A 89 109.988 4.164 3.657 1.00 0.00 C ATOM 1454 C GLU A 89 108.486 4.312 3.486 1.00 0.00 C ATOM 1455 O GLU A 89 107.957 5.423 3.479 1.00 0.00 O ATOM 1456 CB GLU A 89 110.350 4.304 5.142 1.00 0.00 C ATOM 1457 CG GLU A 89 109.616 3.240 5.971 1.00 0.00 C ATOM 1458 CD GLU A 89 110.020 3.354 7.439 1.00 0.00 C ATOM 1459 OE1 GLU A 89 109.628 2.493 8.209 1.00 0.00 O ATOM 1460 OE2 GLU A 89 110.723 4.295 7.768 1.00 0.00 O1- ATOM 0 H GLU A 89 110.278 6.105 2.881 1.00 0.00 H new ATOM 0 HA GLU A 89 110.284 3.179 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 89 111.427 4.198 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 89 110.083 5.299 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 89 108.538 3.368 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 89 109.855 2.245 5.595 1.00 0.00 H new ATOM 1467 N VAL A 90 107.799 3.175 3.363 1.00 0.00 N ATOM 1468 CA VAL A 90 106.348 3.161 3.206 1.00 0.00 C ATOM 1469 C VAL A 90 105.730 2.486 4.420 1.00 0.00 C ATOM 1470 O VAL A 90 106.243 1.487 4.917 1.00 0.00 O ATOM 1471 CB VAL A 90 105.947 2.410 1.927 1.00 0.00 C ATOM 1472 CG1 VAL A 90 104.430 2.190 1.901 1.00 0.00 C ATOM 1473 CG2 VAL A 90 106.358 3.229 0.700 1.00 0.00 C ATOM 0 H VAL A 90 108.228 2.250 3.369 1.00 0.00 H new ATOM 0 HA VAL A 90 105.985 4.186 3.124 1.00 0.00 H new ATOM 0 HB VAL A 90 106.452 1.444 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.155 1.657 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.133 1.602 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.922 3.154 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 90 106.073 2.695 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 90 105.857 4.197 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 90 107.438 3.379 0.708 1.00 0.00 H new ATOM 1483 N LYS A 91 104.634 3.050 4.886 1.00 0.00 N ATOM 1484 CA LYS A 91 103.918 2.539 6.037 1.00 0.00 C ATOM 1485 C LYS A 91 102.450 2.774 5.782 1.00 0.00 C ATOM 1486 O LYS A 91 102.077 3.826 5.284 1.00 0.00 O ATOM 1487 CB LYS A 91 104.357 3.290 7.300 1.00 0.00 C ATOM 1488 CG LYS A 91 103.572 2.793 8.518 1.00 0.00 C ATOM 1489 CD LYS A 91 104.022 3.570 9.755 1.00 0.00 C ATOM 1490 CE LYS A 91 103.257 3.070 10.978 1.00 0.00 C ATOM 1491 NZ LYS A 91 103.666 3.862 12.170 1.00 0.00 N1+ ATOM 0 H LYS A 91 104.212 3.882 4.473 1.00 0.00 H new ATOM 0 HA LYS A 91 104.123 1.479 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 91 105.425 3.145 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 91 104.197 4.360 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 91 102.503 2.929 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 91 103.739 1.726 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 91 105.094 3.443 9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 91 103.844 4.636 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 91 102.184 3.165 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 91 103.462 2.012 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 103.147 3.525 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 104.688 3.749 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 103.449 4.867 12.010 1.00 0.00 H new ATOM 1505 N VAL A 92 101.620 1.799 6.091 1.00 0.00 N ATOM 1506 CA VAL A 92 100.189 1.933 5.849 1.00 0.00 C ATOM 1507 C VAL A 92 99.426 1.925 7.165 1.00 0.00 C ATOM 1508 O VAL A 92 99.641 1.059 8.010 1.00 0.00 O ATOM 1509 CB VAL A 92 99.724 0.769 4.977 1.00 0.00 C ATOM 1510 CG1 VAL A 92 100.664 0.613 3.780 1.00 0.00 C ATOM 1511 CG2 VAL A 92 99.724 -0.524 5.801 1.00 0.00 C ATOM 0 H VAL A 92 101.903 0.911 6.506 1.00 0.00 H new ATOM 0 HA VAL A 92 99.996 2.879 5.343 1.00 0.00 H new ATOM 0 HB VAL A 92 98.714 0.970 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 92 100.329 -0.219 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 92 100.658 1.530 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 92 101.676 0.416 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 92 99.392 -1.353 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 92 100.732 -0.724 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 92 99.048 -0.415 6.649 1.00 0.00 H new ATOM 1521 N THR A 93 98.525 2.891 7.331 1.00 0.00 N ATOM 1522 CA THR A 93 97.727 2.976 8.556 1.00 0.00 C ATOM 1523 C THR A 93 96.247 3.093 8.222 1.00 0.00 C ATOM 1524 O THR A 93 95.849 3.856 7.340 1.00 0.00 O ATOM 1525 CB THR A 93 98.163 4.179 9.402 1.00 0.00 C ATOM 1526 OG1 THR A 93 97.348 4.252 10.565 1.00 0.00 O ATOM 1527 CG2 THR A 93 98.009 5.467 8.599 1.00 0.00 C ATOM 0 H THR A 93 98.329 3.618 6.643 1.00 0.00 H new ATOM 0 HA THR A 93 97.890 2.063 9.129 1.00 0.00 H new ATOM 0 HB THR A 93 99.208 4.058 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 93 97.624 5.018 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 93 98.321 6.315 9.208 1.00 0.00 H new ATOM 0 HG22 THR A 93 98.630 5.415 7.705 1.00 0.00 H new ATOM 0 HG23 THR A 93 96.966 5.593 8.309 1.00 0.00 H new ATOM 1535 N ALA A 94 95.438 2.326 8.946 1.00 0.00 N ATOM 1536 CA ALA A 94 93.999 2.316 8.771 1.00 0.00 C ATOM 1537 C ALA A 94 93.373 2.506 10.136 1.00 0.00 C ATOM 1538 O ALA A 94 93.930 2.071 11.141 1.00 0.00 O ATOM 1539 CB ALA A 94 93.545 0.981 8.181 1.00 0.00 C ATOM 0 H ALA A 94 95.769 1.692 9.673 1.00 0.00 H new ATOM 0 HA ALA A 94 93.697 3.110 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 94 92.462 0.988 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 94 94.022 0.830 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 94 93.827 0.171 8.854 1.00 0.00 H new ATOM 1545 N GLU A 95 92.240 3.178 10.186 1.00 0.00 N ATOM 1546 CA GLU A 95 91.588 3.432 11.462 1.00 0.00 C ATOM 1547 C GLU A 95 90.063 3.416 11.336 1.00 0.00 C ATOM 1548 O GLU A 95 89.456 4.339 10.776 1.00 0.00 O ATOM 1549 CB GLU A 95 92.048 4.793 11.996 1.00 0.00 C ATOM 1550 CG GLU A 95 93.502 4.718 12.476 1.00 0.00 C ATOM 1551 CD GLU A 95 93.957 6.081 12.984 1.00 0.00 C ATOM 1552 OE1 GLU A 95 93.110 6.944 13.152 1.00 0.00 O ATOM 1553 OE2 GLU A 95 95.148 6.248 13.189 1.00 0.00 O1- ATOM 0 H GLU A 95 91.755 3.555 9.372 1.00 0.00 H new ATOM 0 HA GLU A 95 91.869 2.637 12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 95 91.955 5.547 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 95 91.403 5.105 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 95 93.593 3.976 13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 95 94.146 4.392 11.659 1.00 0.00 H new ATOM 1560 N ASN A 96 89.451 2.354 11.867 1.00 0.00 N ATOM 1561 CA ASN A 96 87.997 2.202 11.846 1.00 0.00 C ATOM 1562 C ASN A 96 87.439 2.646 13.208 1.00 0.00 C ATOM 1563 O ASN A 96 88.216 2.902 14.129 1.00 0.00 O ATOM 1564 CB ASN A 96 87.634 0.732 11.581 1.00 0.00 C ATOM 1565 CG ASN A 96 88.626 0.116 10.600 1.00 0.00 C ATOM 1566 OD1 ASN A 96 89.224 0.825 9.791 1.00 0.00 O ATOM 1567 ND2 ASN A 96 88.837 -1.173 10.622 1.00 0.00 N ATOM 0 H ASN A 96 89.945 1.584 12.319 1.00 0.00 H new ATOM 0 HA ASN A 96 87.567 2.815 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 96 87.641 0.173 12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 96 86.623 0.666 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 96 89.498 -1.593 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 96 88.341 -1.760 11.293 1.00 0.00 H new ATOM 1574 N PRO A 97 86.138 2.752 13.376 1.00 0.00 N ATOM 1575 CA PRO A 97 85.559 3.191 14.674 1.00 0.00 C ATOM 1576 C PRO A 97 85.682 2.122 15.764 1.00 0.00 C ATOM 1577 O PRO A 97 85.545 2.425 16.949 1.00 0.00 O ATOM 1578 CB PRO A 97 84.078 3.524 14.361 1.00 0.00 C ATOM 1579 CG PRO A 97 83.877 3.264 12.887 1.00 0.00 C ATOM 1580 CD PRO A 97 85.084 2.454 12.394 1.00 0.00 C ATOM 0 HA PRO A 97 86.096 4.051 15.075 1.00 0.00 H new ATOM 0 HB2 PRO A 97 83.408 2.906 14.958 1.00 0.00 H new ATOM 0 HB3 PRO A 97 83.855 4.563 14.605 1.00 0.00 H new ATOM 0 HG2 PRO A 97 82.951 2.715 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 97 83.796 4.203 12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 97 84.861 1.388 12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 97 85.380 2.751 11.388 1.00 0.00 H new ATOM 1588 N GLU A 98 85.892 0.867 15.362 1.00 0.00 N ATOM 1589 CA GLU A 98 85.979 -0.236 16.325 1.00 0.00 C ATOM 1590 C GLU A 98 87.420 -0.711 16.564 1.00 0.00 C ATOM 1591 O GLU A 98 87.664 -1.483 17.489 1.00 0.00 O ATOM 1592 CB GLU A 98 85.127 -1.400 15.800 1.00 0.00 C ATOM 1593 CG GLU A 98 85.126 -2.562 16.799 1.00 0.00 C ATOM 1594 CD GLU A 98 84.115 -3.619 16.367 1.00 0.00 C ATOM 1595 OE1 GLU A 98 84.192 -4.727 16.874 1.00 0.00 O ATOM 1596 OE2 GLU A 98 83.276 -3.305 15.539 1.00 0.00 O1- ATOM 0 H GLU A 98 86.004 0.589 14.387 1.00 0.00 H new ATOM 0 HA GLU A 98 85.610 0.124 17.286 1.00 0.00 H new ATOM 0 HB2 GLU A 98 84.106 -1.061 15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 98 85.517 -1.739 14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 98 86.121 -3.002 16.859 1.00 0.00 H new ATOM 0 HG3 GLU A 98 84.879 -2.196 17.795 1.00 0.00 H new ATOM 1603 N GLY A 99 88.383 -0.254 15.764 1.00 0.00 N ATOM 1604 CA GLY A 99 89.754 -0.686 15.976 1.00 0.00 C ATOM 1605 C GLY A 99 90.729 0.100 15.118 1.00 0.00 C ATOM 1606 O GLY A 99 90.341 0.975 14.352 1.00 0.00 O ATOM 0 H GLY A 99 88.243 0.394 14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 99 90.015 -0.565 17.027 1.00 0.00 H new ATOM 0 HA3 GLY A 99 89.841 -1.748 15.746 1.00 0.00 H new ATOM 1610 N VAL A 100 92.004 -0.232 15.263 1.00 0.00 N ATOM 1611 CA VAL A 100 93.068 0.421 14.508 1.00 0.00 C ATOM 1612 C VAL A 100 94.150 -0.595 14.127 1.00 0.00 C ATOM 1613 O VAL A 100 94.560 -1.408 14.953 1.00 0.00 O ATOM 1614 CB VAL A 100 93.680 1.552 15.352 1.00 0.00 C ATOM 1615 CG1 VAL A 100 94.940 2.097 14.657 1.00 0.00 C ATOM 1616 CG2 VAL A 100 92.644 2.683 15.539 1.00 0.00 C ATOM 0 H VAL A 100 92.330 -0.957 15.902 1.00 0.00 H new ATOM 0 HA VAL A 100 92.649 0.841 13.594 1.00 0.00 H new ATOM 0 HB VAL A 100 93.958 1.161 16.331 1.00 0.00 H new ATOM 0 HG11 VAL A 100 95.370 2.898 15.259 1.00 0.00 H new ATOM 0 HG12 VAL A 100 95.670 1.295 14.546 1.00 0.00 H new ATOM 0 HG13 VAL A 100 94.674 2.485 13.674 1.00 0.00 H new ATOM 0 HG21 VAL A 100 93.082 3.482 16.137 1.00 0.00 H new ATOM 0 HG22 VAL A 100 92.355 3.076 14.564 1.00 0.00 H new ATOM 0 HG23 VAL A 100 91.764 2.290 16.047 1.00 0.00 H new ATOM 1626 N ILE A 101 94.612 -0.537 12.873 1.00 0.00 N ATOM 1627 CA ILE A 101 95.655 -1.456 12.393 1.00 0.00 C ATOM 1628 C ILE A 101 96.751 -0.680 11.668 1.00 0.00 C ATOM 1629 O ILE A 101 96.490 0.361 11.086 1.00 0.00 O ATOM 1630 CB ILE A 101 95.055 -2.491 11.431 1.00 0.00 C ATOM 1631 CG1 ILE A 101 93.892 -3.223 12.112 1.00 0.00 C ATOM 1632 CG2 ILE A 101 96.136 -3.510 11.029 1.00 0.00 C ATOM 1633 CD1 ILE A 101 93.115 -4.013 11.054 1.00 0.00 C ATOM 0 H ILE A 101 94.284 0.131 12.175 1.00 0.00 H new ATOM 0 HA ILE A 101 96.080 -1.967 13.257 1.00 0.00 H new ATOM 0 HB ILE A 101 94.687 -1.980 10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 101 94.269 -3.895 12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 101 93.235 -2.508 12.607 1.00 0.00 H new ATOM 0 HG21 ILE A 101 95.708 -4.244 10.346 1.00 0.00 H new ATOM 0 HG22 ILE A 101 96.959 -2.992 10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 101 96.508 -4.017 11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 101 92.285 -4.538 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 101 92.728 -3.328 10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 101 93.778 -4.737 10.580 1.00 0.00 H new ATOM 1645 N GLU A 102 97.976 -1.191 11.712 1.00 0.00 N ATOM 1646 CA GLU A 102 99.097 -0.524 11.049 1.00 0.00 C ATOM 1647 C GLU A 102 100.249 -1.498 10.799 1.00 0.00 C ATOM 1648 O GLU A 102 100.474 -2.422 11.578 1.00 0.00 O ATOM 1649 CB GLU A 102 99.585 0.652 11.904 1.00 0.00 C ATOM 1650 CG GLU A 102 100.131 0.150 13.249 1.00 0.00 C ATOM 1651 CD GLU A 102 99.007 -0.465 14.073 1.00 0.00 C ATOM 1652 OE1 GLU A 102 99.280 -1.399 14.808 1.00 0.00 O ATOM 1653 OE2 GLU A 102 97.888 0.010 13.961 1.00 0.00 O1- ATOM 0 H GLU A 102 98.220 -2.056 12.194 1.00 0.00 H new ATOM 0 HA GLU A 102 98.749 -0.153 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 102 100.363 1.199 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 102 98.765 1.349 12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 102 100.914 -0.589 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 102 100.585 0.976 13.797 1.00 0.00 H new ATOM 1660 N HIS A 103 100.988 -1.271 9.714 1.00 0.00 N ATOM 1661 CA HIS A 103 102.134 -2.116 9.370 1.00 0.00 C ATOM 1662 C HIS A 103 103.266 -1.266 8.798 1.00 0.00 C ATOM 1663 O HIS A 103 103.030 -0.386 7.971 1.00 0.00 O ATOM 1664 CB HIS A 103 101.731 -3.164 8.332 1.00 0.00 C ATOM 1665 CG HIS A 103 100.820 -4.182 8.952 1.00 0.00 C ATOM 1666 ND1 HIS A 103 99.495 -4.299 8.578 1.00 0.00 N ATOM 1667 CD2 HIS A 103 101.034 -5.161 9.890 1.00 0.00 C ATOM 1668 CE1 HIS A 103 98.964 -5.318 9.270 1.00 0.00 C ATOM 1669 NE2 HIS A 103 99.859 -5.880 10.089 1.00 0.00 N ATOM 0 H HIS A 103 100.815 -0.510 9.057 1.00 0.00 H new ATOM 0 HA HIS A 103 102.472 -2.614 10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 103 101.231 -2.681 7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 103 102.620 -3.654 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 103 101.970 -5.345 10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 103 97.939 -5.645 9.177 1.00 0.00 H new ATOM 0 HE2 HIS A 103 99.712 -6.666 10.723 1.00 0.00 H new ATOM 1677 N LYS A 104 104.498 -1.538 9.235 1.00 0.00 N ATOM 1678 CA LYS A 104 105.665 -0.792 8.751 1.00 0.00 C ATOM 1679 C LYS A 104 106.482 -1.637 7.781 1.00 0.00 C ATOM 1680 O LYS A 104 106.840 -2.779 8.071 1.00 0.00 O ATOM 1681 CB LYS A 104 106.538 -0.342 9.936 1.00 0.00 C ATOM 1682 CG LYS A 104 107.017 -1.554 10.744 1.00 0.00 C ATOM 1683 CD LYS A 104 107.767 -1.064 11.987 1.00 0.00 C ATOM 1684 CE LYS A 104 108.354 -2.258 12.747 1.00 0.00 C ATOM 1685 NZ LYS A 104 107.249 -3.078 13.320 1.00 0.00 N1+ ATOM 0 H LYS A 104 104.714 -2.264 9.918 1.00 0.00 H new ATOM 0 HA LYS A 104 105.312 0.092 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 104 107.397 0.220 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 104 105.969 0.329 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 104 106.167 -2.170 11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 104 107.669 -2.179 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 104 108.564 -0.380 11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 104 107.090 -0.507 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 104 108.961 -2.866 12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 104 109.011 -1.908 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 107.640 -3.763 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 106.572 -2.457 13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 106.762 -3.587 12.555 1.00 0.00 H new ATOM 1699 N VAL A 105 106.767 -1.057 6.618 1.00 0.00 N ATOM 1700 CA VAL A 105 107.542 -1.737 5.582 1.00 0.00 C ATOM 1701 C VAL A 105 108.584 -0.785 5.019 1.00 0.00 C ATOM 1702 O VAL A 105 108.464 0.430 5.175 1.00 0.00 O ATOM 1703 CB VAL A 105 106.610 -2.229 4.469 1.00 0.00 C ATOM 1704 CG1 VAL A 105 105.594 -3.202 5.073 1.00 0.00 C ATOM 1705 CG2 VAL A 105 105.859 -1.049 3.837 1.00 0.00 C ATOM 0 H VAL A 105 106.472 -0.113 6.368 1.00 0.00 H new ATOM 0 HA VAL A 105 108.048 -2.599 6.016 1.00 0.00 H new ATOM 0 HB VAL A 105 107.202 -2.723 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 105 104.924 -3.560 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 105 106.119 -4.048 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 105 105.014 -2.692 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 105 105.202 -1.416 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 105 105.265 -0.545 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 105 106.576 -0.346 3.413 1.00 0.00 H new ATOM 1715 N LYS A 106 109.618 -1.336 4.384 1.00 0.00 N ATOM 1716 CA LYS A 106 110.694 -0.512 3.830 1.00 0.00 C ATOM 1717 C LYS A 106 110.833 -0.697 2.316 1.00 0.00 C ATOM 1718 O LYS A 106 110.980 -1.815 1.802 1.00 0.00 O ATOM 1719 CB LYS A 106 112.004 -0.864 4.545 1.00 0.00 C ATOM 1720 CG LYS A 106 111.890 -0.421 6.012 1.00 0.00 C ATOM 1721 CD LYS A 106 113.190 -0.715 6.768 1.00 0.00 C ATOM 1722 CE LYS A 106 113.057 -0.195 8.204 1.00 0.00 C ATOM 1723 NZ LYS A 106 114.317 -0.457 8.955 1.00 0.00 N1+ ATOM 0 H LYS A 106 109.734 -2.339 4.241 1.00 0.00 H new ATOM 0 HA LYS A 106 110.452 0.538 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 106 112.192 -1.936 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 106 112.845 -0.366 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 106 111.669 0.645 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 106 111.060 -0.940 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 106 113.390 -1.787 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 106 114.033 -0.235 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 106 112.844 0.874 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 106 112.219 -0.683 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 114.221 -0.102 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 114.502 -1.480 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 115.108 0.028 8.486 1.00 0.00 H new ATOM 1737 N LEU A 107 110.792 0.426 1.601 1.00 0.00 N ATOM 1738 CA LEU A 107 110.933 0.420 0.144 1.00 0.00 C ATOM 1739 C LEU A 107 112.125 1.285 -0.210 1.00 0.00 C ATOM 1740 O LEU A 107 112.177 2.452 0.180 1.00 0.00 O ATOM 1741 CB LEU A 107 109.666 0.985 -0.526 1.00 0.00 C ATOM 1742 CG LEU A 107 108.592 -0.112 -0.653 1.00 0.00 C ATOM 1743 CD1 LEU A 107 108.184 -0.618 0.747 1.00 0.00 C ATOM 1744 CD2 LEU A 107 107.357 0.444 -1.415 1.00 0.00 C ATOM 0 H LEU A 107 110.662 1.353 2.006 1.00 0.00 H new ATOM 0 HA LEU A 107 111.076 -0.601 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 107 109.277 1.818 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 107 109.913 1.378 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 107 109.001 -0.950 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 107 107.424 -1.393 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 107 109.057 -1.029 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 107 107.782 0.210 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 107 106.601 -0.337 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 107 106.943 1.291 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 107 107.659 0.768 -2.411 1.00 0.00 H new ATOM 1756 N GLU A 108 113.089 0.722 -0.931 1.00 0.00 N ATOM 1757 CA GLU A 108 114.284 1.476 -1.307 1.00 0.00 C ATOM 1758 C GLU A 108 114.501 1.424 -2.810 1.00 0.00 C ATOM 1759 O GLU A 108 114.559 0.349 -3.406 1.00 0.00 O ATOM 1760 CB GLU A 108 115.504 0.910 -0.571 1.00 0.00 C ATOM 1761 CG GLU A 108 115.662 -0.585 -0.870 1.00 0.00 C ATOM 1762 CD GLU A 108 116.751 -1.178 0.018 1.00 0.00 C ATOM 1763 OE1 GLU A 108 117.856 -1.350 -0.468 1.00 0.00 O ATOM 1764 OE2 GLU A 108 116.462 -1.451 1.171 1.00 0.00 O1- ATOM 0 H GLU A 108 113.070 -0.242 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 108 114.146 2.519 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 108 116.402 1.446 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 108 115.392 1.063 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 108 114.718 -1.101 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 108 115.917 -0.730 -1.920 1.00 0.00 H new ATOM 1771 N ILE A 109 114.612 2.600 -3.431 1.00 0.00 N ATOM 1772 CA ILE A 109 114.818 2.667 -4.875 1.00 0.00 C ATOM 1773 C ILE A 109 116.265 3.023 -5.193 1.00 0.00 C ATOM 1774 O ILE A 109 116.716 4.129 -4.896 1.00 0.00 O ATOM 1775 CB ILE A 109 113.910 3.733 -5.477 1.00 0.00 C ATOM 1776 CG1 ILE A 109 112.448 3.418 -5.123 1.00 0.00 C ATOM 1777 CG2 ILE A 109 114.111 3.760 -7.004 1.00 0.00 C ATOM 1778 CD1 ILE A 109 111.536 4.557 -5.592 1.00 0.00 C ATOM 0 H ILE A 109 114.563 3.505 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 109 114.584 1.691 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 109 114.159 4.714 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 109 112.145 2.482 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 109 112.348 3.281 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 109 113.465 4.520 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 109 115.151 3.994 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 109 113.859 2.785 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 109 110.502 4.324 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 109 111.831 5.485 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 109 111.625 4.673 -6.672 1.00 0.00 H new ATOM 1790 N GLN A 110 116.984 2.085 -5.814 1.00 0.00 N ATOM 1791 CA GLN A 110 118.378 2.317 -6.180 1.00 0.00 C ATOM 1792 C GLN A 110 118.448 2.976 -7.559 1.00 0.00 C ATOM 1793 O GLN A 110 117.680 3.893 -7.844 1.00 0.00 O ATOM 1794 CB GLN A 110 119.144 0.992 -6.177 1.00 0.00 C ATOM 1795 CG GLN A 110 119.207 0.442 -4.751 1.00 0.00 C ATOM 1796 CD GLN A 110 119.888 -0.922 -4.757 1.00 0.00 C ATOM 1797 OE1 GLN A 110 119.714 -1.698 -5.696 1.00 0.00 O ATOM 1798 NE2 GLN A 110 120.657 -1.260 -3.759 1.00 0.00 N ATOM 0 H GLN A 110 116.625 1.165 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 110 118.837 2.985 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 110 118.652 0.274 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 110 120.151 1.141 -6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.756 1.131 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.201 0.356 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.799 -0.614 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 110 121.117 -2.170 -3.755 1.00 0.00 H new ATOM 1807 N GLN A 111 119.351 2.507 -8.424 1.00 0.00 N ATOM 1808 CA GLN A 111 119.478 3.078 -9.764 1.00 0.00 C ATOM 1809 C GLN A 111 119.926 2.029 -10.777 1.00 0.00 C ATOM 1810 O GLN A 111 120.601 1.059 -10.432 1.00 0.00 O ATOM 1811 CB GLN A 111 120.471 4.244 -9.735 1.00 0.00 C ATOM 1812 CG GLN A 111 121.818 3.760 -9.195 1.00 0.00 C ATOM 1813 CD GLN A 111 122.798 4.929 -9.112 1.00 0.00 C ATOM 1814 OE1 GLN A 111 122.393 6.085 -9.225 1.00 0.00 O ATOM 1815 NE2 GLN A 111 124.067 4.695 -8.911 1.00 0.00 N ATOM 0 H GLN A 111 119.997 1.743 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 111 118.498 3.441 -10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 111 120.596 4.653 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 111 120.085 5.048 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 111 121.685 3.315 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 111 122.221 2.982 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 111 124.400 3.735 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 111 124.725 5.472 -8.847 1.00 0.00 H new ATOM 1824 N LEU A 112 119.537 2.242 -12.035 1.00 0.00 N ATOM 1825 CA LEU A 112 119.884 1.324 -13.123 1.00 0.00 C ATOM 1826 C LEU A 112 121.166 1.795 -13.801 1.00 0.00 C ATOM 1827 O LEU A 112 121.213 2.887 -14.368 1.00 0.00 O ATOM 1828 CB LEU A 112 118.730 1.302 -14.144 1.00 0.00 C ATOM 1829 CG LEU A 112 118.805 0.077 -15.082 1.00 0.00 C ATOM 1830 CD1 LEU A 112 120.127 0.064 -15.858 1.00 0.00 C ATOM 1831 CD2 LEU A 112 118.651 -1.234 -14.279 1.00 0.00 C ATOM 0 H LEU A 112 118.980 3.045 -12.327 1.00 0.00 H new ATOM 0 HA LEU A 112 120.042 0.321 -12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 112 117.778 1.294 -13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 112 118.756 2.215 -14.739 1.00 0.00 H new ATOM 0 HG LEU A 112 117.984 0.150 -15.795 1.00 0.00 H new ATOM 0 HD11 LEU A 112 120.157 -0.808 -16.512 1.00 0.00 H new ATOM 0 HD12 LEU A 112 120.206 0.970 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 112 120.960 0.020 -15.157 1.00 0.00 H new ATOM 0 HD21 LEU A 112 118.707 -2.085 -14.958 1.00 0.00 H new ATOM 0 HD22 LEU A 112 119.451 -1.305 -13.542 1.00 0.00 H new ATOM 0 HD23 LEU A 112 117.687 -1.238 -13.770 1.00 0.00 H new ATOM 1843 N GLU A 113 122.200 0.961 -13.753 1.00 0.00 N ATOM 1844 CA GLU A 113 123.473 1.300 -14.378 1.00 0.00 C ATOM 1845 C GLU A 113 123.275 1.487 -15.879 1.00 0.00 C ATOM 1846 O GLU A 113 123.011 0.529 -16.604 1.00 0.00 O ATOM 1847 CB GLU A 113 124.483 0.176 -14.127 1.00 0.00 C ATOM 1848 CG GLU A 113 125.878 0.618 -14.575 1.00 0.00 C ATOM 1849 CD GLU A 113 126.432 1.653 -13.601 1.00 0.00 C ATOM 1850 OE1 GLU A 113 125.801 1.876 -12.579 1.00 0.00 O ATOM 1851 OE2 GLU A 113 127.477 2.209 -13.891 1.00 0.00 O1- ATOM 0 H GLU A 113 122.182 0.052 -13.291 1.00 0.00 H new ATOM 0 HA GLU A 113 123.851 2.228 -13.948 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.497 -0.082 -13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 113 124.184 -0.721 -14.670 1.00 0.00 H new ATOM 0 HG2 GLU A 113 126.544 -0.243 -14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.831 1.039 -15.579 1.00 0.00 H new ATOM 1858 N HIS A 114 123.400 2.730 -16.346 1.00 0.00 N ATOM 1859 CA HIS A 114 123.229 3.027 -17.768 1.00 0.00 C ATOM 1860 C HIS A 114 124.585 3.178 -18.445 1.00 0.00 C ATOM 1861 O HIS A 114 125.208 4.237 -18.377 1.00 0.00 O ATOM 1862 CB HIS A 114 122.437 4.324 -17.940 1.00 0.00 C ATOM 1863 CG HIS A 114 121.051 4.156 -17.387 1.00 0.00 C ATOM 1864 ND1 HIS A 114 120.181 3.186 -17.857 1.00 0.00 N ATOM 1865 CD2 HIS A 114 120.363 4.842 -16.420 1.00 0.00 C ATOM 1866 CE1 HIS A 114 119.027 3.314 -17.177 1.00 0.00 C ATOM 1867 NE2 HIS A 114 119.084 4.309 -16.287 1.00 0.00 N ATOM 0 H HIS A 114 123.617 3.541 -15.766 1.00 0.00 H new ATOM 0 HA HIS A 114 122.686 2.202 -18.229 1.00 0.00 H new ATOM 0 HB2 HIS A 114 122.945 5.141 -17.428 1.00 0.00 H new ATOM 0 HB3 HIS A 114 122.386 4.592 -18.995 1.00 0.00 H new ATOM 0 HD2 HIS A 114 120.754 5.670 -15.848 1.00 0.00 H new ATOM 0 HE1 HIS A 114 118.160 2.689 -17.332 1.00 0.00 H new ATOM 0 HE2 HIS A 114 118.349 4.612 -15.648 1.00 0.00 H new ATOM 1875 N HIS A 115 125.030 2.115 -19.107 1.00 0.00 N ATOM 1876 CA HIS A 115 126.307 2.145 -19.806 1.00 0.00 C ATOM 1877 C HIS A 115 126.227 3.113 -20.980 1.00 0.00 C ATOM 1878 O HIS A 115 127.160 3.872 -21.242 1.00 0.00 O ATOM 1879 CB HIS A 115 126.667 0.741 -20.300 1.00 0.00 C ATOM 1880 CG HIS A 115 128.073 0.737 -20.828 1.00 0.00 C ATOM 1881 ND1 HIS A 115 128.373 1.100 -22.130 1.00 0.00 N ATOM 1882 CD2 HIS A 115 129.272 0.416 -20.241 1.00 0.00 C ATOM 1883 CE1 HIS A 115 129.704 0.989 -22.284 1.00 0.00 C ATOM 1884 NE2 HIS A 115 130.300 0.576 -21.163 1.00 0.00 N ATOM 0 H HIS A 115 124.529 1.229 -19.173 1.00 0.00 H new ATOM 0 HA HIS A 115 127.084 2.483 -19.120 1.00 0.00 H new ATOM 0 HB2 HIS A 115 126.572 0.023 -19.486 1.00 0.00 H new ATOM 0 HB3 HIS A 115 125.974 0.431 -21.082 1.00 0.00 H new ATOM 0 HD2 HIS A 115 129.397 0.089 -19.219 1.00 0.00 H new ATOM 0 HE1 HIS A 115 130.228 1.207 -23.203 1.00 0.00 H new ATOM 0 HE2 HIS A 115 131.296 0.413 -21.015 1.00 0.00 H new ATOM 1892 N HIS A 116 125.094 3.087 -21.677 1.00 0.00 N ATOM 1893 CA HIS A 116 124.879 3.974 -22.815 1.00 0.00 C ATOM 1894 C HIS A 116 124.359 5.323 -22.325 1.00 0.00 C ATOM 1895 O HIS A 116 123.659 5.394 -21.316 1.00 0.00 O ATOM 1896 CB HIS A 116 123.879 3.343 -23.784 1.00 0.00 C ATOM 1897 CG HIS A 116 124.518 2.147 -24.434 1.00 0.00 C ATOM 1898 ND1 HIS A 116 124.030 0.861 -24.267 1.00 0.00 N ATOM 1899 CD2 HIS A 116 125.617 2.029 -25.246 1.00 0.00 C ATOM 1900 CE1 HIS A 116 124.828 0.031 -24.964 1.00 0.00 C ATOM 1901 NE2 HIS A 116 125.812 0.692 -25.580 1.00 0.00 N ATOM 0 H HIS A 116 124.313 2.463 -21.474 1.00 0.00 H new ATOM 0 HA HIS A 116 125.824 4.127 -23.336 1.00 0.00 H new ATOM 0 HB2 HIS A 116 122.976 3.045 -23.252 1.00 0.00 H new ATOM 0 HB3 HIS A 116 123.579 4.068 -24.541 1.00 0.00 H new ATOM 0 HD2 HIS A 116 126.237 2.849 -25.576 1.00 0.00 H new ATOM 0 HE1 HIS A 116 124.690 -1.039 -25.019 1.00 0.00 H new ATOM 0 HE2 HIS A 116 126.548 0.301 -26.168 1.00 0.00 H new ATOM 1909 N HIS A 117 124.715 6.389 -23.030 1.00 0.00 N ATOM 1910 CA HIS A 117 124.283 7.724 -22.629 1.00 0.00 C ATOM 1911 C HIS A 117 122.771 7.876 -22.788 1.00 0.00 C ATOM 1912 O HIS A 117 122.226 7.674 -23.872 1.00 0.00 O ATOM 1913 CB HIS A 117 124.995 8.778 -23.478 1.00 0.00 C ATOM 1914 CG HIS A 117 126.474 8.734 -23.196 1.00 0.00 C ATOM 1915 ND1 HIS A 117 127.302 7.767 -23.743 1.00 0.00 N ATOM 1916 CD2 HIS A 117 127.285 9.532 -22.427 1.00 0.00 C ATOM 1917 CE1 HIS A 117 128.551 8.004 -23.301 1.00 0.00 C ATOM 1918 NE2 HIS A 117 128.597 9.069 -22.496 1.00 0.00 N ATOM 0 H HIS A 117 125.293 6.359 -23.870 1.00 0.00 H new ATOM 0 HA HIS A 117 124.539 7.866 -21.579 1.00 0.00 H new ATOM 0 HB2 HIS A 117 124.810 8.594 -24.536 1.00 0.00 H new ATOM 0 HB3 HIS A 117 124.600 9.769 -23.253 1.00 0.00 H new ATOM 0 HD2 HIS A 117 126.956 10.388 -21.856 1.00 0.00 H new ATOM 0 HE1 HIS A 117 129.411 7.406 -23.565 1.00 0.00 H new ATOM 0 HE2 HIS A 117 129.417 9.459 -22.032 1.00 0.00 H new ATOM 1926 N HIS A 118 122.102 8.238 -21.691 1.00 0.00 N ATOM 1927 CA HIS A 118 120.648 8.425 -21.694 1.00 0.00 C ATOM 1928 C HIS A 118 120.301 9.911 -21.699 1.00 0.00 C ATOM 1929 O HIS A 118 120.869 10.694 -20.936 1.00 0.00 O ATOM 1930 CB HIS A 118 120.035 7.761 -20.458 1.00 0.00 C ATOM 1931 CG HIS A 118 118.546 7.990 -20.450 1.00 0.00 C ATOM 1932 ND1 HIS A 118 117.708 7.433 -21.403 1.00 0.00 N ATOM 1933 CD2 HIS A 118 117.733 8.707 -19.609 1.00 0.00 C ATOM 1934 CE1 HIS A 118 116.452 7.822 -21.114 1.00 0.00 C ATOM 1935 NE2 HIS A 118 116.412 8.601 -20.029 1.00 0.00 N ATOM 0 H HIS A 118 122.544 8.408 -20.788 1.00 0.00 H new ATOM 0 HA HIS A 118 120.241 7.964 -22.594 1.00 0.00 H new ATOM 0 HB2 HIS A 118 120.249 6.692 -20.463 1.00 0.00 H new ATOM 0 HB3 HIS A 118 120.482 8.172 -19.552 1.00 0.00 H new ATOM 0 HD2 HIS A 118 118.069 9.269 -18.750 1.00 0.00 H new ATOM 0 HE1 HIS A 118 115.583 7.539 -21.689 1.00 0.00 H new ATOM 0 HE2 HIS A 118 115.589 9.026 -19.601 1.00 0.00 H new ATOM 1943 N HIS A 119 119.365 10.292 -22.565 1.00 0.00 N ATOM 1944 CA HIS A 119 118.940 11.686 -22.674 1.00 0.00 C ATOM 1945 C HIS A 119 117.448 11.761 -22.981 1.00 0.00 C ATOM 1946 O HIS A 119 116.882 12.831 -22.825 1.00 0.00 O ATOM 1947 CB HIS A 119 119.729 12.382 -23.783 1.00 0.00 C ATOM 1948 CG HIS A 119 121.173 12.473 -23.381 1.00 0.00 C ATOM 1949 ND1 HIS A 119 121.779 12.972 -22.255 1.00 0.00 N flip ATOM 1950 CD2 HIS A 119 122.198 12.001 -24.186 1.00 0.00 C flip ATOM 1951 CE1 HIS A 119 123.158 12.815 -22.357 1.00 0.00 C flip ATOM 1952 NE2 HIS A 119 123.357 12.225 -23.538 1.00 0.00 N flip ATOM 1953 OXT HIS A 119 116.894 10.745 -23.366 1.00 0.00 O ATOM 0 H HIS A 119 118.886 9.655 -23.202 1.00 0.00 H new ATOM 0 HA HIS A 119 119.131 12.187 -21.725 1.00 0.00 H new ATOM 0 HB2 HIS A 119 119.634 11.827 -24.716 1.00 0.00 H new ATOM 0 HB3 HIS A 119 119.326 13.379 -23.962 1.00 0.00 H new ATOM 0 HD2 HIS A 119 122.087 11.538 -25.156 1.00 0.00 H new ATOM 0 HE1 HIS A 119 123.907 13.108 -21.636 1.00 0.00 H new ATOM 0 HE2 HIS A 119 124.275 11.974 -23.905 1.00 0.00 H new TER 1961 HIS A 119