USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.979 K(o=-2.9,f=-9.1!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -1.07 USER MOD Set 1.3: A 94 GLN :FLIP amide:sc= -0.875 F(o=-3.6,f=-2.9) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= -1.67! C(o=-7!,f=-2.6!) USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -0.649 F(o=-5!,f=-2.6) USER MOD Set 2.3: A 92 GLN : amide:sc= -0.326 K(o=-2.6,f=-6.9!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 CYS SG : rot 76:sc= -3.76! USER MOD Set 3.3: A 59 MET CE :methyl -112:sc= -0.692 (180deg=-1.19) USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 0.992 USER MOD Set 4.2: A 37 LYS NZ :NH3+ 172:sc= 1.28 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 1.01 (180deg=0.579) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.395 (180deg=-1.25) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.19) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.03) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 1.32 (180deg=0.667) USER MOD Single : A 40 MET CE :methyl -172:sc= -3.17 (180deg=-3.24) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.471 USER MOD Single : A 42 THR OG1 : rot 170:sc= -0.0176 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.01 F(o=-0.91,f=-0.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= -0.322 (180deg=-1.43!) USER MOD Single : A 50 SER OG : rot 29:sc= 1.18 USER MOD Single : A 51 TYR OH : rot 103:sc= -2.93! USER MOD Single : A 53 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.76) USER MOD Single : A 69 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.6!) USER MOD Single : A 74 ASN : amide:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.3) USER MOD Single : A 76 THR OG1 : rot -118:sc= -0.723 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 153:sc= -1.15 (180deg=-2.64) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.419 -3.110 -7.918 1.00 0.00 N ATOM 2 CA MET A 1 19.039 -3.601 -8.102 1.00 0.00 C ATOM 3 C MET A 1 18.953 -4.557 -9.273 1.00 0.00 C ATOM 4 O MET A 1 18.956 -4.146 -10.436 1.00 0.00 O ATOM 5 CB MET A 1 18.068 -2.440 -8.309 1.00 0.00 C ATOM 6 CG MET A 1 17.729 -1.694 -7.036 1.00 0.00 C ATOM 7 SD MET A 1 16.809 -2.710 -5.863 1.00 0.00 S ATOM 8 CE MET A 1 16.481 -1.512 -4.573 1.00 0.00 C ATOM 0 H1 MET A 1 20.450 -2.457 -7.109 1.00 0.00 H new ATOM 0 H2 MET A 1 21.053 -3.915 -7.738 1.00 0.00 H new ATOM 0 H3 MET A 1 20.728 -2.612 -8.777 1.00 0.00 H new ATOM 0 HA MET A 1 18.758 -4.135 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.500 -1.741 -9.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.148 -2.822 -8.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.649 -1.346 -6.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.143 -0.809 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.917 -1.987 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.424 -1.134 -4.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.902 -0.685 -4.983 1.00 0.00 H new ATOM 18 N SER A 2 18.894 -5.836 -8.974 1.00 0.00 N ATOM 19 CA SER A 2 18.795 -6.859 -10.001 1.00 0.00 C ATOM 20 C SER A 2 17.471 -7.611 -9.890 1.00 0.00 C ATOM 21 O SER A 2 17.216 -8.549 -10.649 1.00 0.00 O ATOM 22 CB SER A 2 19.966 -7.837 -9.884 1.00 0.00 C ATOM 23 OG SER A 2 21.213 -7.161 -9.968 1.00 0.00 O ATOM 0 H SER A 2 18.913 -6.198 -8.021 1.00 0.00 H new ATOM 0 HA SER A 2 18.834 -6.372 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.903 -8.372 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.900 -8.583 -10.676 1.00 0.00 H new ATOM 0 HG SER A 2 21.943 -7.810 -9.889 1.00 0.00 H new ATOM 29 N ASP A 3 16.622 -7.194 -8.936 1.00 0.00 N ATOM 30 CA ASP A 3 15.312 -7.838 -8.700 1.00 0.00 C ATOM 31 C ASP A 3 15.519 -9.255 -8.203 1.00 0.00 C ATOM 32 O ASP A 3 14.775 -10.172 -8.551 1.00 0.00 O ATOM 33 CB ASP A 3 14.443 -7.849 -9.976 1.00 0.00 C ATOM 34 CG ASP A 3 13.986 -6.470 -10.400 1.00 0.00 C ATOM 35 OD1 ASP A 3 14.763 -5.764 -11.079 1.00 0.00 O ATOM 36 OD2 ASP A 3 12.841 -6.090 -10.072 1.00 0.00 O ATOM 0 H ASP A 3 16.817 -6.411 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 3 14.784 -7.256 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.009 -8.303 -10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.569 -8.478 -9.807 1.00 0.00 H new ATOM 41 N GLN A 4 16.538 -9.428 -7.372 1.00 0.00 N ATOM 42 CA GLN A 4 16.909 -10.733 -6.840 1.00 0.00 C ATOM 43 C GLN A 4 15.759 -11.372 -6.075 1.00 0.00 C ATOM 44 O GLN A 4 15.231 -12.408 -6.477 1.00 0.00 O ATOM 45 CB GLN A 4 18.119 -10.597 -5.927 1.00 0.00 C ATOM 46 CG GLN A 4 19.343 -10.037 -6.618 1.00 0.00 C ATOM 47 CD GLN A 4 20.410 -9.630 -5.636 1.00 0.00 C ATOM 48 OE1 GLN A 4 21.274 -10.425 -5.268 1.00 0.00 O ATOM 49 NE2 GLN A 4 20.351 -8.392 -5.201 1.00 0.00 N ATOM 0 H GLN A 4 17.132 -8.666 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 4 17.155 -11.379 -7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.859 -9.951 -5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.362 -11.575 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.746 -10.784 -7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.057 -9.175 -7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.616 -7.769 -5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 4 21.040 -8.054 -4.529 1.00 0.00 H new ATOM 58 N GLU A 5 15.366 -10.753 -4.980 1.00 0.00 N ATOM 59 CA GLU A 5 14.299 -11.278 -4.149 1.00 0.00 C ATOM 60 C GLU A 5 13.764 -10.196 -3.231 1.00 0.00 C ATOM 61 O GLU A 5 14.442 -9.202 -2.965 1.00 0.00 O ATOM 62 CB GLU A 5 14.819 -12.433 -3.296 1.00 0.00 C ATOM 63 CG GLU A 5 15.925 -12.022 -2.330 1.00 0.00 C ATOM 64 CD GLU A 5 16.183 -13.053 -1.267 1.00 0.00 C ATOM 65 OE1 GLU A 5 15.252 -13.818 -0.946 1.00 0.00 O ATOM 66 OE2 GLU A 5 17.307 -13.088 -0.718 1.00 0.00 O ATOM 0 H GLU A 5 15.772 -9.880 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 5 13.500 -11.630 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.991 -12.858 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.193 -13.219 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.844 -11.847 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.655 -11.078 -1.856 1.00 0.00 H new ATOM 73 N ALA A 6 12.551 -10.365 -2.755 1.00 0.00 N ATOM 74 CA ALA A 6 11.983 -9.443 -1.801 1.00 0.00 C ATOM 75 C ALA A 6 11.314 -10.202 -0.684 1.00 0.00 C ATOM 76 O ALA A 6 10.523 -11.118 -0.920 1.00 0.00 O ATOM 77 CB ALA A 6 10.994 -8.506 -2.469 1.00 0.00 C ATOM 0 H ALA A 6 11.937 -11.137 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 6 12.791 -8.839 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.582 -7.823 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.502 -7.935 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.187 -9.087 -2.915 1.00 0.00 H new ATOM 83 N LYS A 7 11.624 -9.831 0.529 1.00 0.00 N ATOM 84 CA LYS A 7 11.074 -10.471 1.681 1.00 0.00 C ATOM 85 C LYS A 7 10.317 -9.463 2.510 1.00 0.00 C ATOM 86 O LYS A 7 10.634 -8.267 2.480 1.00 0.00 O ATOM 87 CB LYS A 7 12.180 -11.078 2.545 1.00 0.00 C ATOM 88 CG LYS A 7 12.868 -12.306 1.974 1.00 0.00 C ATOM 89 CD LYS A 7 13.873 -12.836 2.984 1.00 0.00 C ATOM 90 CE LYS A 7 14.403 -14.214 2.616 1.00 0.00 C ATOM 91 NZ LYS A 7 15.481 -14.156 1.604 1.00 0.00 N ATOM 0 H LYS A 7 12.270 -9.071 0.741 1.00 0.00 H new ATOM 0 HA LYS A 7 10.406 -11.263 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.935 -10.313 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.755 -11.341 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.131 -13.074 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.372 -12.054 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.707 -12.139 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.405 -12.882 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.778 -14.707 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.584 -14.825 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.092 -14.992 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.063 -14.140 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.047 -13.295 1.748 1.00 0.00 H new ATOM 105 N PRO A 8 9.309 -9.915 3.257 1.00 0.00 N ATOM 106 CA PRO A 8 8.581 -9.052 4.165 1.00 0.00 C ATOM 107 C PRO A 8 9.517 -8.555 5.253 1.00 0.00 C ATOM 108 O PRO A 8 9.947 -9.320 6.121 1.00 0.00 O ATOM 109 CB PRO A 8 7.503 -9.952 4.771 1.00 0.00 C ATOM 110 CG PRO A 8 7.461 -11.171 3.907 1.00 0.00 C ATOM 111 CD PRO A 8 8.814 -11.294 3.271 1.00 0.00 C ATOM 0 HA PRO A 8 8.159 -8.178 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.743 -10.211 5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.536 -9.449 4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.229 -12.057 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.683 -11.081 3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.469 -11.950 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.749 -11.708 2.265 1.00 0.00 H new ATOM 119 N SER A 9 9.854 -7.294 5.206 1.00 0.00 N ATOM 120 CA SER A 9 10.819 -6.736 6.117 1.00 0.00 C ATOM 121 C SER A 9 10.213 -6.468 7.491 1.00 0.00 C ATOM 122 O SER A 9 9.117 -5.919 7.614 1.00 0.00 O ATOM 123 CB SER A 9 11.399 -5.455 5.523 1.00 0.00 C ATOM 124 OG SER A 9 11.874 -5.687 4.200 1.00 0.00 O ATOM 0 H SER A 9 9.469 -6.626 4.538 1.00 0.00 H new ATOM 0 HA SER A 9 11.618 -7.464 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.637 -4.676 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.214 -5.093 6.150 1.00 0.00 H new ATOM 0 HG SER A 9 12.241 -4.855 3.834 1.00 0.00 H new ATOM 130 N THR A 10 10.924 -6.874 8.525 1.00 0.00 N ATOM 131 CA THR A 10 10.501 -6.651 9.884 1.00 0.00 C ATOM 132 C THR A 10 11.584 -5.878 10.622 1.00 0.00 C ATOM 133 O THR A 10 12.707 -6.362 10.783 1.00 0.00 O ATOM 134 CB THR A 10 10.242 -7.983 10.615 1.00 0.00 C ATOM 135 OG1 THR A 10 9.396 -8.823 9.813 1.00 0.00 O ATOM 136 CG2 THR A 10 9.574 -7.734 11.963 1.00 0.00 C ATOM 0 H THR A 10 11.812 -7.368 8.441 1.00 0.00 H new ATOM 0 HA THR A 10 9.571 -6.083 9.866 1.00 0.00 H new ATOM 0 HB THR A 10 11.200 -8.477 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.236 -9.669 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.399 -8.686 12.464 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.222 -7.112 12.581 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.622 -7.225 11.809 1.00 0.00 H new ATOM 144 N GLU A 11 11.264 -4.670 11.043 1.00 0.00 N ATOM 145 CA GLU A 11 12.219 -3.833 11.742 1.00 0.00 C ATOM 146 C GLU A 11 12.475 -4.370 13.144 1.00 0.00 C ATOM 147 O GLU A 11 11.534 -4.656 13.892 1.00 0.00 O ATOM 148 CB GLU A 11 11.712 -2.395 11.815 1.00 0.00 C ATOM 149 CG GLU A 11 12.706 -1.428 12.429 1.00 0.00 C ATOM 150 CD GLU A 11 12.164 -0.028 12.527 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.257 0.722 11.534 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.642 0.334 13.598 1.00 0.00 O ATOM 0 H GLU A 11 10.346 -4.245 10.912 1.00 0.00 H new ATOM 0 HA GLU A 11 13.157 -3.847 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.462 -2.056 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.791 -2.373 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.981 -1.778 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.617 -1.420 11.831 1.00 0.00 H new ATOM 159 N ASP A 12 13.748 -4.517 13.492 1.00 0.00 N ATOM 160 CA ASP A 12 14.145 -5.009 14.810 1.00 0.00 C ATOM 161 C ASP A 12 13.591 -4.114 15.904 1.00 0.00 C ATOM 162 O ASP A 12 12.960 -4.591 16.852 1.00 0.00 O ATOM 163 CB ASP A 12 15.668 -5.079 14.922 1.00 0.00 C ATOM 164 CG ASP A 12 16.127 -5.559 16.279 1.00 0.00 C ATOM 165 OD1 ASP A 12 16.328 -4.720 17.177 1.00 0.00 O ATOM 166 OD2 ASP A 12 16.288 -6.780 16.456 1.00 0.00 O ATOM 0 H ASP A 12 14.531 -4.301 12.875 1.00 0.00 H new ATOM 0 HA ASP A 12 13.735 -6.012 14.933 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.055 -5.748 14.153 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.089 -4.093 14.728 1.00 0.00 H new ATOM 171 N LEU A 13 13.854 -2.813 15.789 1.00 0.00 N ATOM 172 CA LEU A 13 13.330 -1.831 16.732 1.00 0.00 C ATOM 173 C LEU A 13 11.814 -1.934 16.820 1.00 0.00 C ATOM 174 O LEU A 13 11.256 -2.236 17.876 1.00 0.00 O ATOM 175 CB LEU A 13 13.727 -0.414 16.295 1.00 0.00 C ATOM 176 CG LEU A 13 15.229 -0.126 16.231 1.00 0.00 C ATOM 177 CD1 LEU A 13 15.483 1.231 15.597 1.00 0.00 C ATOM 178 CD2 LEU A 13 15.841 -0.180 17.618 1.00 0.00 C ATOM 0 H LEU A 13 14.430 -2.415 15.047 1.00 0.00 H new ATOM 0 HA LEU A 13 13.755 -2.036 17.714 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.299 -0.226 15.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.270 0.298 16.982 1.00 0.00 H new ATOM 0 HG LEU A 13 15.699 -0.892 15.614 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.556 1.420 15.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.077 1.242 14.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.999 2.006 16.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.909 0.027 17.553 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.365 0.566 18.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.689 -1.172 18.044 1.00 0.00 H new ATOM 190 N GLY A 14 11.150 -1.695 15.706 1.00 0.00 N ATOM 191 CA GLY A 14 9.711 -1.775 15.674 1.00 0.00 C ATOM 192 C GLY A 14 9.088 -0.446 15.990 1.00 0.00 C ATOM 193 O GLY A 14 8.004 -0.372 16.569 1.00 0.00 O ATOM 0 H GLY A 14 11.585 -1.445 14.818 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.384 -2.108 14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.369 -2.520 16.392 1.00 0.00 H new ATOM 197 N ASP A 15 9.764 0.612 15.594 1.00 0.00 N ATOM 198 CA ASP A 15 9.303 1.954 15.861 1.00 0.00 C ATOM 199 C ASP A 15 9.181 2.726 14.571 1.00 0.00 C ATOM 200 O ASP A 15 10.176 3.175 13.994 1.00 0.00 O ATOM 201 CB ASP A 15 10.253 2.673 16.813 1.00 0.00 C ATOM 202 CG ASP A 15 9.720 4.019 17.264 1.00 0.00 C ATOM 203 OD1 ASP A 15 9.854 5.006 16.510 1.00 0.00 O ATOM 204 OD2 ASP A 15 9.169 4.098 18.387 1.00 0.00 O ATOM 0 H ASP A 15 10.644 0.565 15.081 1.00 0.00 H new ATOM 0 HA ASP A 15 8.323 1.893 16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.430 2.045 17.686 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.216 2.814 16.322 1.00 0.00 H new ATOM 209 N LYS A 16 7.974 2.854 14.096 1.00 0.00 N ATOM 210 CA LYS A 16 7.703 3.574 12.871 1.00 0.00 C ATOM 211 C LYS A 16 7.034 4.894 13.181 1.00 0.00 C ATOM 212 O LYS A 16 6.329 5.023 14.185 1.00 0.00 O ATOM 213 CB LYS A 16 6.828 2.739 11.917 1.00 0.00 C ATOM 214 CG LYS A 16 7.607 1.756 11.039 1.00 0.00 C ATOM 215 CD LYS A 16 8.304 0.658 11.846 1.00 0.00 C ATOM 216 CE LYS A 16 7.412 -0.561 12.056 1.00 0.00 C ATOM 217 NZ LYS A 16 6.254 -0.291 12.944 1.00 0.00 N ATOM 0 H LYS A 16 7.145 2.464 14.544 1.00 0.00 H new ATOM 0 HA LYS A 16 8.653 3.766 12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.100 2.182 12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.267 3.416 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.925 1.296 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.352 2.304 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.215 0.354 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.604 1.057 12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.047 -0.907 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.007 -1.370 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.920 -1.184 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.543 0.358 13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.486 0.142 12.392 1.00 0.00 H new ATOM 231 N LYS A 17 7.262 5.884 12.341 1.00 0.00 N ATOM 232 CA LYS A 17 6.667 7.198 12.539 1.00 0.00 C ATOM 233 C LYS A 17 5.182 7.156 12.215 1.00 0.00 C ATOM 234 O LYS A 17 4.744 6.390 11.346 1.00 0.00 O ATOM 235 CB LYS A 17 7.363 8.255 11.680 1.00 0.00 C ATOM 236 CG LYS A 17 7.252 8.003 10.186 1.00 0.00 C ATOM 237 CD LYS A 17 7.826 9.160 9.378 1.00 0.00 C ATOM 238 CE LYS A 17 6.961 10.408 9.497 1.00 0.00 C ATOM 239 NZ LYS A 17 7.566 11.574 8.801 1.00 0.00 N ATOM 0 H LYS A 17 7.854 5.807 11.514 1.00 0.00 H new ATOM 0 HA LYS A 17 6.797 7.473 13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.936 9.232 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.417 8.296 11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.779 7.084 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.206 7.855 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.835 9.381 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.905 8.870 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.975 10.207 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.816 10.650 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.945 12.402 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.496 11.783 9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.681 11.354 7.791 1.00 0.00 H new ATOM 253 N GLU A 18 4.404 7.968 12.907 1.00 0.00 N ATOM 254 CA GLU A 18 2.975 7.995 12.730 1.00 0.00 C ATOM 255 C GLU A 18 2.383 9.283 13.310 1.00 0.00 C ATOM 256 O GLU A 18 3.114 10.191 13.713 1.00 0.00 O ATOM 257 CB GLU A 18 2.343 6.744 13.366 1.00 0.00 C ATOM 258 CG GLU A 18 3.022 6.273 14.654 1.00 0.00 C ATOM 259 CD GLU A 18 2.818 7.217 15.818 1.00 0.00 C ATOM 260 OE1 GLU A 18 1.706 7.242 16.375 1.00 0.00 O ATOM 261 OE2 GLU A 18 3.768 7.933 16.190 1.00 0.00 O ATOM 0 H GLU A 18 4.751 8.625 13.606 1.00 0.00 H new ATOM 0 HA GLU A 18 2.748 7.984 11.664 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.294 6.951 13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.367 5.931 12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.636 5.289 14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.090 6.157 14.472 1.00 0.00 H new ATOM 268 N GLY A 19 1.069 9.368 13.339 1.00 0.00 N ATOM 269 CA GLY A 19 0.403 10.549 13.845 1.00 0.00 C ATOM 270 C GLY A 19 -0.013 11.467 12.730 1.00 0.00 C ATOM 271 O GLY A 19 0.808 11.850 11.893 1.00 0.00 O ATOM 0 H GLY A 19 0.441 8.632 13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.474 10.255 14.422 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.069 11.080 14.526 1.00 0.00 H new ATOM 275 N GLU A 20 -1.300 11.802 12.691 1.00 0.00 N ATOM 276 CA GLU A 20 -1.857 12.675 11.664 1.00 0.00 C ATOM 277 C GLU A 20 -1.738 12.016 10.301 1.00 0.00 C ATOM 278 O GLU A 20 -1.018 12.475 9.418 1.00 0.00 O ATOM 279 CB GLU A 20 -1.187 14.059 11.675 1.00 0.00 C ATOM 280 CG GLU A 20 -1.284 14.768 13.015 1.00 0.00 C ATOM 281 CD GLU A 20 -2.704 14.855 13.519 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.440 15.753 13.072 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.095 14.018 14.353 1.00 0.00 O ATOM 0 H GLU A 20 -1.986 11.475 13.372 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.913 12.831 11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.136 13.948 11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.647 14.683 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.673 14.240 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.872 15.773 12.922 1.00 0.00 H new ATOM 290 N TYR A 21 -2.408 10.902 10.155 1.00 0.00 N ATOM 291 CA TYR A 21 -2.382 10.151 8.918 1.00 0.00 C ATOM 292 C TYR A 21 -3.786 9.749 8.486 1.00 0.00 C ATOM 293 O TYR A 21 -4.767 10.005 9.184 1.00 0.00 O ATOM 294 CB TYR A 21 -1.504 8.901 9.083 1.00 0.00 C ATOM 295 CG TYR A 21 -1.829 8.081 10.317 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.020 7.374 10.423 1.00 0.00 C ATOM 297 CD2 TYR A 21 -0.945 8.026 11.378 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.315 6.640 11.551 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.231 7.292 12.509 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.415 6.604 12.593 1.00 0.00 C ATOM 301 OH TYR A 21 -2.704 5.871 13.722 1.00 0.00 O ATOM 0 H TYR A 21 -2.987 10.487 10.886 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.961 10.790 8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.616 8.271 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.459 9.206 9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.727 7.400 9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.013 8.568 11.320 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.246 6.096 11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.526 7.259 13.326 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.965 5.950 14.361 1.00 0.00 H new ATOM 311 N ILE A 22 -3.875 9.128 7.332 1.00 0.00 N ATOM 312 CA ILE A 22 -5.130 8.626 6.817 1.00 0.00 C ATOM 313 C ILE A 22 -5.081 7.117 6.736 1.00 0.00 C ATOM 314 O ILE A 22 -4.038 6.497 6.948 1.00 0.00 O ATOM 315 CB ILE A 22 -5.476 9.202 5.426 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.510 8.674 4.372 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.468 10.726 5.460 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.795 9.173 2.971 1.00 0.00 C ATOM 0 H ILE A 22 -3.076 8.956 6.721 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.910 8.947 7.507 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.481 8.876 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.495 8.959 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.547 7.585 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.714 11.113 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.206 11.078 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.479 11.078 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.065 8.753 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.797 8.865 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.729 10.261 2.952 1.00 0.00 H new ATOM 330 N LYS A 23 -6.194 6.524 6.444 1.00 0.00 N ATOM 331 CA LYS A 23 -6.289 5.086 6.362 1.00 0.00 C ATOM 332 C LYS A 23 -6.594 4.693 4.941 1.00 0.00 C ATOM 333 O LYS A 23 -7.259 5.418 4.241 1.00 0.00 O ATOM 334 CB LYS A 23 -7.408 4.594 7.282 1.00 0.00 C ATOM 335 CG LYS A 23 -7.286 5.093 8.714 1.00 0.00 C ATOM 336 CD LYS A 23 -8.654 5.400 9.328 1.00 0.00 C ATOM 337 CE LYS A 23 -9.361 6.534 8.581 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.561 7.025 9.302 1.00 0.00 N ATOM 0 H LYS A 23 -7.068 7.015 6.254 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.346 4.637 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.367 4.914 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.411 3.504 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.777 4.342 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.669 5.991 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.274 4.504 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.531 5.674 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.664 7.360 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.653 6.186 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.706 8.033 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.395 6.483 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.425 6.904 10.326 1.00 0.00 H new ATOM 352 N LEU A 24 -6.061 3.596 4.488 1.00 0.00 N ATOM 353 CA LEU A 24 -6.401 3.106 3.163 1.00 0.00 C ATOM 354 C LEU A 24 -6.573 1.608 3.170 1.00 0.00 C ATOM 355 O LEU A 24 -6.117 0.911 4.088 1.00 0.00 O ATOM 356 CB LEU A 24 -5.367 3.523 2.106 1.00 0.00 C ATOM 357 CG LEU A 24 -5.272 5.018 1.805 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.179 5.656 2.632 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.036 5.258 0.324 1.00 0.00 C ATOM 0 H LEU A 24 -5.394 3.021 5.003 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.350 3.567 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.386 3.177 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.597 3.001 1.177 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.221 5.481 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.125 6.721 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.399 5.522 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.224 5.186 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.972 6.330 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.104 4.780 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.862 4.837 -0.249 1.00 0.00 H new ATOM 371 N LYS A 25 -7.238 1.101 2.157 1.00 0.00 N ATOM 372 CA LYS A 25 -7.483 -0.312 2.049 1.00 0.00 C ATOM 373 C LYS A 25 -7.096 -0.809 0.678 1.00 0.00 C ATOM 374 O LYS A 25 -7.269 -0.121 -0.320 1.00 0.00 O ATOM 375 CB LYS A 25 -8.954 -0.616 2.344 1.00 0.00 C ATOM 376 CG LYS A 25 -9.296 -2.101 2.389 1.00 0.00 C ATOM 377 CD LYS A 25 -9.949 -2.587 1.106 1.00 0.00 C ATOM 378 CE LYS A 25 -11.306 -1.929 0.867 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.307 -2.294 1.906 1.00 0.00 N ATOM 0 H LYS A 25 -7.621 1.656 1.391 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.870 -0.833 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.220 -0.166 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.571 -0.137 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.387 -2.675 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.965 -2.291 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.291 -2.377 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.074 -3.669 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.183 -0.846 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.681 -2.223 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.265 -2.103 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.218 -3.305 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.139 -1.729 2.763 1.00 0.00 H new ATOM 393 N VAL A 26 -6.544 -1.989 0.632 1.00 0.00 N ATOM 394 CA VAL A 26 -6.131 -2.579 -0.622 1.00 0.00 C ATOM 395 C VAL A 26 -6.963 -3.793 -0.960 1.00 0.00 C ATOM 396 O VAL A 26 -7.351 -4.564 -0.081 1.00 0.00 O ATOM 397 CB VAL A 26 -4.608 -2.940 -0.599 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.326 -4.298 -1.244 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.812 -1.857 -1.304 1.00 0.00 C ATOM 0 H VAL A 26 -6.366 -2.569 1.452 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.293 -1.836 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.302 -3.005 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.256 -4.505 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.866 -5.076 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.654 -4.282 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.753 -2.113 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.147 -1.774 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.964 -0.905 -0.796 1.00 0.00 H new ATOM 409 N ILE A 27 -7.260 -3.949 -2.233 1.00 0.00 N ATOM 410 CA ILE A 27 -7.955 -5.107 -2.715 1.00 0.00 C ATOM 411 C ILE A 27 -6.939 -5.993 -3.392 1.00 0.00 C ATOM 412 O ILE A 27 -6.366 -5.630 -4.410 1.00 0.00 O ATOM 413 CB ILE A 27 -9.085 -4.741 -3.712 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.137 -3.860 -3.032 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.732 -6.002 -4.276 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.862 -4.540 -1.889 1.00 0.00 C ATOM 0 H ILE A 27 -7.023 -3.271 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.432 -5.614 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.645 -4.180 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.654 -2.958 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.868 -3.544 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.522 -5.725 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.980 -6.595 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.156 -6.589 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.590 -3.852 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.376 -5.427 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.143 -4.831 -1.124 1.00 0.00 H new ATOM 428 N GLY A 28 -6.694 -7.143 -2.819 1.00 0.00 N ATOM 429 CA GLY A 28 -5.680 -8.015 -3.331 1.00 0.00 C ATOM 430 C GLY A 28 -6.088 -8.715 -4.591 1.00 0.00 C ATOM 431 O GLY A 28 -7.192 -8.538 -5.098 1.00 0.00 O ATOM 0 H GLY A 28 -7.186 -7.494 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.775 -7.438 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.432 -8.758 -2.573 1.00 0.00 H new ATOM 435 N GLN A 29 -5.213 -9.558 -5.066 1.00 0.00 N ATOM 436 CA GLN A 29 -5.413 -10.301 -6.277 1.00 0.00 C ATOM 437 C GLN A 29 -6.497 -11.335 -6.035 1.00 0.00 C ATOM 438 O GLN A 29 -7.198 -11.766 -6.945 1.00 0.00 O ATOM 439 CB GLN A 29 -4.111 -11.001 -6.707 1.00 0.00 C ATOM 440 CG GLN A 29 -2.784 -10.364 -6.210 1.00 0.00 C ATOM 441 CD GLN A 29 -2.543 -10.534 -4.706 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.784 -9.477 -3.937 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -2.075 -11.570 -4.259 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.321 -9.751 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.711 -9.620 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.146 -12.032 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.086 -11.035 -7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.951 -10.809 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.790 -9.301 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.903 -12.361 -4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.856 -11.644 -3.266 1.00 0.00 H new ATOM 452 N ASP A 30 -6.626 -11.721 -4.778 1.00 0.00 N ATOM 453 CA ASP A 30 -7.646 -12.655 -4.338 1.00 0.00 C ATOM 454 C ASP A 30 -8.755 -11.870 -3.652 1.00 0.00 C ATOM 455 O ASP A 30 -9.621 -12.420 -2.985 1.00 0.00 O ATOM 456 CB ASP A 30 -7.027 -13.673 -3.366 1.00 0.00 C ATOM 457 CG ASP A 30 -7.985 -14.783 -2.966 1.00 0.00 C ATOM 458 OD1 ASP A 30 -8.378 -15.579 -3.842 1.00 0.00 O ATOM 459 OD2 ASP A 30 -8.325 -14.878 -1.768 1.00 0.00 O ATOM 0 H ASP A 30 -6.019 -11.391 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.057 -13.198 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.143 -14.114 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.692 -13.151 -2.470 1.00 0.00 H new ATOM 464 N SER A 31 -8.701 -10.544 -3.828 1.00 0.00 N ATOM 465 CA SER A 31 -9.664 -9.613 -3.236 1.00 0.00 C ATOM 466 C SER A 31 -9.462 -9.507 -1.727 1.00 0.00 C ATOM 467 O SER A 31 -10.351 -9.078 -0.987 1.00 0.00 O ATOM 468 CB SER A 31 -11.110 -10.005 -3.584 1.00 0.00 C ATOM 469 OG SER A 31 -11.300 -10.021 -4.997 1.00 0.00 O ATOM 0 H SER A 31 -7.983 -10.086 -4.389 1.00 0.00 H new ATOM 0 HA SER A 31 -9.484 -8.628 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.336 -10.988 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.804 -9.300 -3.126 1.00 0.00 H new ATOM 0 HG SER A 31 -12.225 -10.274 -5.200 1.00 0.00 H new ATOM 475 N SER A 32 -8.267 -9.882 -1.276 1.00 0.00 N ATOM 476 CA SER A 32 -7.908 -9.793 0.123 1.00 0.00 C ATOM 477 C SER A 32 -7.819 -8.323 0.514 1.00 0.00 C ATOM 478 O SER A 32 -7.053 -7.563 -0.075 1.00 0.00 O ATOM 479 CB SER A 32 -6.554 -10.485 0.362 1.00 0.00 C ATOM 480 OG SER A 32 -6.326 -10.719 1.741 1.00 0.00 O ATOM 0 H SER A 32 -7.528 -10.254 -1.873 1.00 0.00 H new ATOM 0 HA SER A 32 -8.664 -10.290 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.528 -11.432 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.752 -9.866 -0.040 1.00 0.00 H new ATOM 0 HG SER A 32 -5.459 -11.161 1.859 1.00 0.00 H new ATOM 486 N GLU A 33 -8.618 -7.917 1.474 1.00 0.00 N ATOM 487 CA GLU A 33 -8.644 -6.538 1.895 1.00 0.00 C ATOM 488 C GLU A 33 -7.637 -6.282 2.989 1.00 0.00 C ATOM 489 O GLU A 33 -7.804 -6.720 4.130 1.00 0.00 O ATOM 490 CB GLU A 33 -10.029 -6.147 2.373 1.00 0.00 C ATOM 491 CG GLU A 33 -11.104 -6.250 1.312 1.00 0.00 C ATOM 492 CD GLU A 33 -12.481 -6.015 1.871 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.739 -4.894 2.379 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.304 -6.949 1.831 1.00 0.00 O ATOM 0 H GLU A 33 -9.261 -8.527 1.979 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.381 -5.928 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.303 -6.782 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.997 -5.123 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.905 -5.523 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.064 -7.237 0.852 1.00 0.00 H new ATOM 501 N ILE A 34 -6.600 -5.574 2.652 1.00 0.00 N ATOM 502 CA ILE A 34 -5.589 -5.215 3.610 1.00 0.00 C ATOM 503 C ILE A 34 -5.857 -3.801 4.084 1.00 0.00 C ATOM 504 O ILE A 34 -6.192 -2.926 3.283 1.00 0.00 O ATOM 505 CB ILE A 34 -4.170 -5.300 3.001 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.910 -6.704 2.431 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.120 -4.948 4.046 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.889 -7.801 3.483 1.00 0.00 C ATOM 0 H ILE A 34 -6.428 -5.228 1.708 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.631 -5.916 4.443 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.102 -4.579 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.680 -6.935 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.956 -6.701 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.127 -5.013 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.291 -3.933 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.189 -5.645 4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.700 -8.761 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.100 -7.596 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.851 -7.834 3.994 1.00 0.00 H new ATOM 520 N HIS A 35 -5.740 -3.561 5.373 1.00 0.00 N ATOM 521 CA HIS A 35 -6.012 -2.242 5.921 1.00 0.00 C ATOM 522 C HIS A 35 -4.757 -1.681 6.541 1.00 0.00 C ATOM 523 O HIS A 35 -4.054 -2.370 7.275 1.00 0.00 O ATOM 524 CB HIS A 35 -7.129 -2.294 6.968 1.00 0.00 C ATOM 525 CG HIS A 35 -8.498 -2.522 6.400 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.609 -1.842 6.833 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.934 -3.383 5.450 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.669 -2.273 6.186 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.294 -3.213 5.339 1.00 0.00 N ATOM 0 H HIS A 35 -5.459 -4.258 6.063 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.341 -1.596 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.907 -3.089 7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.131 -1.358 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.327 -4.074 4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.679 -1.917 6.325 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.909 -3.727 4.708 1.00 0.00 H new ATOM 538 N PHE A 36 -4.458 -0.443 6.239 1.00 0.00 N ATOM 539 CA PHE A 36 -3.257 0.192 6.747 1.00 0.00 C ATOM 540 C PHE A 36 -3.466 1.679 6.980 1.00 0.00 C ATOM 541 O PHE A 36 -4.481 2.256 6.579 1.00 0.00 O ATOM 542 CB PHE A 36 -2.079 -0.051 5.791 1.00 0.00 C ATOM 543 CG PHE A 36 -2.492 -0.118 4.356 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.761 1.029 3.645 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.635 -1.340 3.724 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.162 0.957 2.332 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.038 -1.410 2.415 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.300 -0.261 1.720 1.00 0.00 C ATOM 0 H PHE A 36 -5.030 0.153 5.641 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.023 -0.259 7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.347 0.747 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.584 -0.983 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.656 1.992 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.427 -2.250 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.369 1.863 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.148 -2.370 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.616 -0.314 0.689 1.00 0.00 H new ATOM 558 N LYS A 37 -2.499 2.294 7.622 1.00 0.00 N ATOM 559 CA LYS A 37 -2.556 3.701 7.951 1.00 0.00 C ATOM 560 C LYS A 37 -1.273 4.411 7.539 1.00 0.00 C ATOM 561 O LYS A 37 -0.182 4.066 7.994 1.00 0.00 O ATOM 562 CB LYS A 37 -2.820 3.877 9.450 1.00 0.00 C ATOM 563 CG LYS A 37 -1.954 2.992 10.348 1.00 0.00 C ATOM 564 CD LYS A 37 -2.212 3.258 11.824 1.00 0.00 C ATOM 565 CE LYS A 37 -3.666 2.997 12.202 1.00 0.00 C ATOM 566 NZ LYS A 37 -3.960 3.415 13.594 1.00 0.00 N ATOM 0 H LYS A 37 -1.646 1.830 7.933 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.377 4.154 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.652 4.920 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.870 3.662 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.155 1.944 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.902 3.168 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.561 2.625 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.956 4.292 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.321 3.534 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.886 1.935 12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.983 3.348 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.455 2.793 14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.649 4.397 13.735 1.00 0.00 H new ATOM 580 N VAL A 38 -1.404 5.394 6.663 1.00 0.00 N ATOM 581 CA VAL A 38 -0.256 6.150 6.168 1.00 0.00 C ATOM 582 C VAL A 38 -0.613 7.628 6.061 1.00 0.00 C ATOM 583 O VAL A 38 -1.783 7.989 6.010 1.00 0.00 O ATOM 584 CB VAL A 38 0.230 5.645 4.773 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.599 4.166 4.813 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.821 5.903 3.705 1.00 0.00 C ATOM 0 H VAL A 38 -2.299 5.692 6.275 1.00 0.00 H new ATOM 0 HA VAL A 38 0.554 6.003 6.882 1.00 0.00 H new ATOM 0 HB VAL A 38 1.128 6.208 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.933 3.847 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.401 4.010 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.273 3.581 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.458 5.542 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.741 5.379 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.019 6.973 3.640 1.00 0.00 H new ATOM 596 N LYS A 39 0.384 8.490 6.035 1.00 0.00 N ATOM 597 CA LYS A 39 0.134 9.921 5.920 1.00 0.00 C ATOM 598 C LYS A 39 -0.216 10.300 4.506 1.00 0.00 C ATOM 599 O LYS A 39 -0.179 9.477 3.597 1.00 0.00 O ATOM 600 CB LYS A 39 1.339 10.729 6.320 1.00 0.00 C ATOM 601 CG LYS A 39 1.691 10.694 7.775 1.00 0.00 C ATOM 602 CD LYS A 39 2.745 11.726 8.034 1.00 0.00 C ATOM 603 CE LYS A 39 2.145 13.107 8.234 1.00 0.00 C ATOM 604 NZ LYS A 39 1.535 13.265 9.575 1.00 0.00 N ATOM 0 H LYS A 39 1.369 8.232 6.091 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.698 10.139 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.197 10.374 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.170 11.766 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.809 10.893 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.053 9.704 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.317 11.447 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.443 11.751 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.920 13.861 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.389 13.287 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.500 13.315 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.790 12.452 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.886 14.140 10.015 1.00 0.00 H new ATOM 618 N MET A 40 -0.537 11.559 4.310 1.00 0.00 N ATOM 619 CA MET A 40 -0.861 12.066 2.988 1.00 0.00 C ATOM 620 C MET A 40 0.391 12.489 2.251 1.00 0.00 C ATOM 621 O MET A 40 0.506 12.314 1.040 1.00 0.00 O ATOM 622 CB MET A 40 -1.820 13.263 3.090 1.00 0.00 C ATOM 623 CG MET A 40 -3.234 12.903 3.505 1.00 0.00 C ATOM 624 SD MET A 40 -4.415 13.054 2.145 1.00 0.00 S ATOM 625 CE MET A 40 -3.664 11.993 0.921 1.00 0.00 C ATOM 0 H MET A 40 -0.582 12.258 5.052 1.00 0.00 H new ATOM 0 HA MET A 40 -1.345 11.262 2.433 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.415 13.977 3.807 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.856 13.767 2.124 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.249 11.881 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.544 13.551 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.198 12.093 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.622 12.280 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.713 10.958 1.258 1.00 0.00 H new ATOM 635 N THR A 41 1.342 13.034 2.986 1.00 0.00 N ATOM 636 CA THR A 41 2.556 13.556 2.393 1.00 0.00 C ATOM 637 C THR A 41 3.683 12.507 2.392 1.00 0.00 C ATOM 638 O THR A 41 4.835 12.807 2.081 1.00 0.00 O ATOM 639 CB THR A 41 3.011 14.842 3.137 1.00 0.00 C ATOM 640 OG1 THR A 41 4.066 15.497 2.422 1.00 0.00 O ATOM 641 CG2 THR A 41 3.473 14.521 4.552 1.00 0.00 C ATOM 0 H THR A 41 1.295 13.126 4.001 1.00 0.00 H new ATOM 0 HA THR A 41 2.338 13.806 1.355 1.00 0.00 H new ATOM 0 HB THR A 41 2.152 15.511 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.693 14.827 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.786 15.439 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.653 14.068 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.312 13.826 4.512 1.00 0.00 H new ATOM 649 N THR A 42 3.348 11.270 2.708 1.00 0.00 N ATOM 650 CA THR A 42 4.342 10.216 2.742 1.00 0.00 C ATOM 651 C THR A 42 4.367 9.471 1.408 1.00 0.00 C ATOM 652 O THR A 42 3.532 9.713 0.534 1.00 0.00 O ATOM 653 CB THR A 42 4.090 9.223 3.904 1.00 0.00 C ATOM 654 OG1 THR A 42 5.249 8.401 4.107 1.00 0.00 O ATOM 655 CG2 THR A 42 2.890 8.332 3.610 1.00 0.00 C ATOM 0 H THR A 42 2.401 10.972 2.943 1.00 0.00 H new ATOM 0 HA THR A 42 5.312 10.684 2.913 1.00 0.00 H new ATOM 0 HB THR A 42 3.885 9.803 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.147 7.891 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.735 7.644 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.001 8.950 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.074 7.763 2.698 1.00 0.00 H new ATOM 663 N HIS A 43 5.313 8.567 1.246 1.00 0.00 N ATOM 664 CA HIS A 43 5.437 7.818 0.011 1.00 0.00 C ATOM 665 C HIS A 43 4.633 6.533 0.054 1.00 0.00 C ATOM 666 O HIS A 43 4.476 5.904 1.101 1.00 0.00 O ATOM 667 CB HIS A 43 6.900 7.504 -0.303 1.00 0.00 C ATOM 668 CG HIS A 43 7.673 8.665 -0.840 1.00 0.00 C ATOM 669 ND1 HIS A 43 7.262 9.799 -1.445 1.00 0.00 N flip ATOM 670 CD2 HIS A 43 9.047 8.730 -0.813 1.00 0.00 C flip ATOM 671 CE1 HIS A 43 8.379 10.516 -1.767 1.00 0.00 C flip ATOM 672 NE2 HIS A 43 9.443 9.852 -1.375 1.00 0.00 N flip ATOM 0 H HIS A 43 6.008 8.333 1.955 1.00 0.00 H new ATOM 0 HA HIS A 43 5.036 8.448 -0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.386 7.146 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.938 6.690 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.699 7.977 -0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.387 11.475 -2.264 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.411 10.155 -1.487 1.00 0.00 H new ATOM 681 N LEU A 44 4.133 6.139 -1.101 1.00 0.00 N ATOM 682 CA LEU A 44 3.356 4.914 -1.256 1.00 0.00 C ATOM 683 C LEU A 44 4.238 3.699 -1.099 1.00 0.00 C ATOM 684 O LEU A 44 3.753 2.586 -0.954 1.00 0.00 O ATOM 685 CB LEU A 44 2.693 4.879 -2.636 1.00 0.00 C ATOM 686 CG LEU A 44 1.181 5.111 -2.674 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.445 3.956 -2.040 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.822 6.393 -1.987 1.00 0.00 C ATOM 0 H LEU A 44 4.253 6.661 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 44 2.589 4.901 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.170 5.633 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.901 3.910 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 44 0.879 5.182 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.628 4.143 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.673 3.038 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.758 3.851 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.258 6.537 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.145 6.351 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.317 7.225 -2.487 1.00 0.00 H new ATOM 700 N LYS A 45 5.544 3.921 -1.129 1.00 0.00 N ATOM 701 CA LYS A 45 6.519 2.854 -1.015 1.00 0.00 C ATOM 702 C LYS A 45 6.296 2.007 0.236 1.00 0.00 C ATOM 703 O LYS A 45 6.345 0.782 0.177 1.00 0.00 O ATOM 704 CB LYS A 45 7.938 3.428 -1.064 1.00 0.00 C ATOM 705 CG LYS A 45 8.279 4.408 0.051 1.00 0.00 C ATOM 706 CD LYS A 45 9.116 3.746 1.141 1.00 0.00 C ATOM 707 CE LYS A 45 10.486 3.335 0.615 1.00 0.00 C ATOM 708 NZ LYS A 45 11.256 2.539 1.606 1.00 0.00 N ATOM 0 H LYS A 45 5.955 4.849 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 45 6.389 2.186 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.648 2.602 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.077 3.929 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.824 5.256 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.360 4.801 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.237 4.434 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.593 2.869 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.362 2.753 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.053 4.227 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.180 2.283 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.399 3.102 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.729 1.674 1.841 1.00 0.00 H new ATOM 722 N LYS A 46 6.021 2.655 1.360 1.00 0.00 N ATOM 723 CA LYS A 46 5.769 1.943 2.601 1.00 0.00 C ATOM 724 C LYS A 46 4.436 1.241 2.544 1.00 0.00 C ATOM 725 O LYS A 46 4.277 0.171 3.063 1.00 0.00 O ATOM 726 CB LYS A 46 5.831 2.897 3.801 1.00 0.00 C ATOM 727 CG LYS A 46 4.887 4.084 3.702 1.00 0.00 C ATOM 728 CD LYS A 46 4.922 4.956 4.953 1.00 0.00 C ATOM 729 CE LYS A 46 4.440 4.200 6.186 1.00 0.00 C ATOM 730 NZ LYS A 46 5.552 3.551 6.929 1.00 0.00 N ATOM 0 H LYS A 46 5.967 3.671 1.436 1.00 0.00 H new ATOM 0 HA LYS A 46 6.548 1.192 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.600 2.338 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.851 3.266 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.154 4.687 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.871 3.725 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.939 5.311 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.298 5.836 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.918 4.890 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.718 3.441 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.300 2.564 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.415 3.572 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.720 4.062 7.819 1.00 0.00 H new ATOM 744 N LEU A 47 3.491 1.833 1.859 1.00 0.00 N ATOM 745 CA LEU A 47 2.162 1.275 1.748 1.00 0.00 C ATOM 746 C LEU A 47 2.177 0.005 0.905 1.00 0.00 C ATOM 747 O LEU A 47 1.668 -1.042 1.319 1.00 0.00 O ATOM 748 CB LEU A 47 1.222 2.327 1.148 1.00 0.00 C ATOM 749 CG LEU A 47 -0.270 1.990 1.120 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.092 3.271 1.055 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.612 1.090 -0.068 1.00 0.00 C ATOM 0 H LEU A 47 3.618 2.715 1.362 1.00 0.00 H new ATOM 0 HA LEU A 47 1.801 1.002 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.350 3.254 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.544 2.525 0.126 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.512 1.450 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.153 3.022 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.879 3.885 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.833 3.824 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.679 0.868 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.354 1.599 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.047 0.160 0.005 1.00 0.00 H new ATOM 763 N LYS A 48 2.774 0.088 -0.277 1.00 0.00 N ATOM 764 CA LYS A 48 2.834 -1.047 -1.180 1.00 0.00 C ATOM 765 C LYS A 48 3.610 -2.214 -0.565 1.00 0.00 C ATOM 766 O LYS A 48 3.197 -3.367 -0.678 1.00 0.00 O ATOM 767 CB LYS A 48 3.383 -0.640 -2.570 1.00 0.00 C ATOM 768 CG LYS A 48 4.652 0.200 -2.534 1.00 0.00 C ATOM 769 CD LYS A 48 4.807 1.061 -3.795 1.00 0.00 C ATOM 770 CE LYS A 48 5.160 0.241 -5.026 1.00 0.00 C ATOM 771 NZ LYS A 48 6.601 -0.126 -5.074 1.00 0.00 N ATOM 0 H LYS A 48 3.223 0.933 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 48 1.814 -1.398 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.579 -1.544 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.611 -0.084 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.636 0.844 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.518 -0.455 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.878 1.601 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.582 1.808 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.557 -0.667 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.903 0.807 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.736 -0.915 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.157 0.693 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.918 -0.413 -4.126 1.00 0.00 H new ATOM 785 N GLU A 49 4.708 -1.926 0.119 1.00 0.00 N ATOM 786 CA GLU A 49 5.477 -2.985 0.772 1.00 0.00 C ATOM 787 C GLU A 49 4.722 -3.522 1.987 1.00 0.00 C ATOM 788 O GLU A 49 4.774 -4.715 2.293 1.00 0.00 O ATOM 789 CB GLU A 49 6.891 -2.495 1.165 1.00 0.00 C ATOM 790 CG GLU A 49 6.927 -1.375 2.207 1.00 0.00 C ATOM 791 CD GLU A 49 7.194 -1.870 3.618 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.361 -2.211 3.919 1.00 0.00 O ATOM 793 OE2 GLU A 49 6.258 -1.898 4.438 1.00 0.00 O ATOM 0 H GLU A 49 5.085 -0.986 0.238 1.00 0.00 H new ATOM 0 HA GLU A 49 5.602 -3.800 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.459 -3.343 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.401 -2.149 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.698 -0.656 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.976 -0.843 2.191 1.00 0.00 H new ATOM 800 N SER A 50 3.976 -2.644 2.646 1.00 0.00 N ATOM 801 CA SER A 50 3.243 -3.005 3.844 1.00 0.00 C ATOM 802 C SER A 50 2.088 -3.956 3.557 1.00 0.00 C ATOM 803 O SER A 50 1.860 -4.906 4.303 1.00 0.00 O ATOM 804 CB SER A 50 2.762 -1.755 4.579 1.00 0.00 C ATOM 805 OG SER A 50 3.812 -1.197 5.350 1.00 0.00 O ATOM 0 H SER A 50 3.865 -1.670 2.365 1.00 0.00 H new ATOM 0 HA SER A 50 3.933 -3.544 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.401 -1.020 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.922 -2.007 5.226 1.00 0.00 H new ATOM 0 HG SER A 50 4.672 -1.401 4.927 1.00 0.00 H new ATOM 811 N TYR A 51 1.356 -3.741 2.483 1.00 0.00 N ATOM 812 CA TYR A 51 0.265 -4.641 2.187 1.00 0.00 C ATOM 813 C TYR A 51 0.802 -5.948 1.606 1.00 0.00 C ATOM 814 O TYR A 51 0.248 -7.021 1.850 1.00 0.00 O ATOM 815 CB TYR A 51 -0.791 -3.999 1.270 1.00 0.00 C ATOM 816 CG TYR A 51 -0.551 -4.176 -0.206 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.992 -5.314 -0.863 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.104 -3.212 -0.940 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.785 -5.487 -2.205 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.319 -3.374 -2.295 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.130 -4.517 -2.920 1.00 0.00 C ATOM 822 OH TYR A 51 0.080 -4.693 -4.260 1.00 0.00 O ATOM 0 H TYR A 51 1.490 -2.977 1.821 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.245 -4.865 3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.766 -4.419 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.839 -2.932 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.510 -6.080 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.455 -2.316 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.135 -6.382 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.835 -2.611 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.561 -4.150 -4.766 1.00 0.00 H new ATOM 832 N CYS A 52 1.912 -5.868 0.850 1.00 0.00 N ATOM 833 CA CYS A 52 2.522 -7.062 0.274 1.00 0.00 C ATOM 834 C CYS A 52 2.960 -8.005 1.371 1.00 0.00 C ATOM 835 O CYS A 52 2.699 -9.214 1.320 1.00 0.00 O ATOM 836 CB CYS A 52 3.722 -6.700 -0.596 1.00 0.00 C ATOM 837 SG CYS A 52 3.305 -5.821 -2.114 1.00 0.00 S ATOM 0 H CYS A 52 2.394 -4.996 0.630 1.00 0.00 H new ATOM 0 HA CYS A 52 1.775 -7.552 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.407 -6.086 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.256 -7.614 -0.855 1.00 0.00 H new ATOM 0 HG CYS A 52 3.012 -4.586 -1.834 1.00 0.00 H new ATOM 843 N GLN A 53 3.608 -7.453 2.385 1.00 0.00 N ATOM 844 CA GLN A 53 4.084 -8.248 3.490 1.00 0.00 C ATOM 845 C GLN A 53 2.913 -8.845 4.263 1.00 0.00 C ATOM 846 O GLN A 53 3.005 -9.956 4.771 1.00 0.00 O ATOM 847 CB GLN A 53 4.994 -7.435 4.421 1.00 0.00 C ATOM 848 CG GLN A 53 4.323 -6.237 5.044 1.00 0.00 C ATOM 849 CD GLN A 53 5.233 -5.443 5.946 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.448 -5.392 5.746 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.649 -4.816 6.946 1.00 0.00 N ATOM 0 H GLN A 53 3.813 -6.457 2.459 1.00 0.00 H new ATOM 0 HA GLN A 53 4.681 -9.063 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.360 -8.087 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.865 -7.099 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.950 -5.587 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.458 -6.571 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.639 -4.887 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.206 -4.259 7.594 1.00 0.00 H new ATOM 860 N ARG A 54 1.800 -8.093 4.377 1.00 0.00 N ATOM 861 CA ARG A 54 0.600 -8.598 5.050 1.00 0.00 C ATOM 862 C ARG A 54 0.103 -9.884 4.407 1.00 0.00 C ATOM 863 O ARG A 54 -0.342 -10.806 5.090 1.00 0.00 O ATOM 864 CB ARG A 54 -0.521 -7.557 5.017 1.00 0.00 C ATOM 865 CG ARG A 54 -0.257 -6.313 5.841 1.00 0.00 C ATOM 866 CD ARG A 54 -0.083 -6.639 7.308 1.00 0.00 C ATOM 867 NE ARG A 54 -0.035 -5.430 8.122 1.00 0.00 N ATOM 868 CZ ARG A 54 0.992 -5.060 8.889 1.00 0.00 C ATOM 869 NH1 ARG A 54 2.088 -5.811 8.962 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.915 -3.940 9.589 1.00 0.00 N ATOM 0 H ARG A 54 1.713 -7.144 4.014 1.00 0.00 H new ATOM 0 HA ARG A 54 0.875 -8.804 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.692 -7.261 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.441 -8.022 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.639 -5.815 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.084 -5.614 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.906 -7.271 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.835 -7.210 7.449 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.851 -4.819 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.148 -6.678 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.868 -5.519 9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.074 -3.365 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.697 -3.652 10.177 1.00 0.00 H new ATOM 884 N GLN A 55 0.173 -9.947 3.094 1.00 0.00 N ATOM 885 CA GLN A 55 -0.269 -11.125 2.370 1.00 0.00 C ATOM 886 C GLN A 55 0.772 -12.219 2.439 1.00 0.00 C ATOM 887 O GLN A 55 0.466 -13.392 2.263 1.00 0.00 O ATOM 888 CB GLN A 55 -0.544 -10.771 0.922 1.00 0.00 C ATOM 889 CG GLN A 55 -1.754 -9.883 0.733 1.00 0.00 C ATOM 890 CD GLN A 55 -1.605 -8.943 -0.440 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.397 -8.453 -0.643 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.573 -8.633 -1.135 1.00 0.00 N flip ATOM 0 H GLN A 55 0.532 -9.197 2.504 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.186 -11.488 2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.331 -10.271 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.686 -11.690 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.637 -10.505 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.920 -9.303 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.490 -9.037 -0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.458 -7.972 -1.904 1.00 0.00 H new ATOM 901 N GLY A 56 2.006 -11.843 2.704 1.00 0.00 N ATOM 902 CA GLY A 56 3.062 -12.820 2.803 1.00 0.00 C ATOM 903 C GLY A 56 3.609 -13.191 1.446 1.00 0.00 C ATOM 904 O GLY A 56 4.076 -14.309 1.237 1.00 0.00 O ATOM 0 H GLY A 56 2.297 -10.877 2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.866 -12.425 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.685 -13.714 3.300 1.00 0.00 H new ATOM 908 N VAL A 57 3.558 -12.257 0.511 1.00 0.00 N ATOM 909 CA VAL A 57 4.034 -12.505 -0.839 1.00 0.00 C ATOM 910 C VAL A 57 4.972 -11.392 -1.291 1.00 0.00 C ATOM 911 O VAL A 57 4.834 -10.240 -0.863 1.00 0.00 O ATOM 912 CB VAL A 57 2.864 -12.633 -1.858 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.973 -13.821 -1.518 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.045 -11.348 -1.916 1.00 0.00 C ATOM 0 H VAL A 57 3.191 -11.318 0.663 1.00 0.00 H new ATOM 0 HA VAL A 57 4.571 -13.453 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 57 3.299 -12.803 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.163 -13.888 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.562 -14.737 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.555 -13.688 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.235 -11.465 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.628 -11.137 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.686 -10.522 -2.223 1.00 0.00 H new ATOM 924 N PRO A 58 5.959 -11.725 -2.136 1.00 0.00 N ATOM 925 CA PRO A 58 6.891 -10.740 -2.671 1.00 0.00 C ATOM 926 C PRO A 58 6.188 -9.733 -3.586 1.00 0.00 C ATOM 927 O PRO A 58 5.195 -10.052 -4.249 1.00 0.00 O ATOM 928 CB PRO A 58 7.904 -11.575 -3.457 1.00 0.00 C ATOM 929 CG PRO A 58 7.210 -12.862 -3.745 1.00 0.00 C ATOM 930 CD PRO A 58 6.252 -13.088 -2.615 1.00 0.00 C ATOM 0 HA PRO A 58 7.352 -10.144 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.199 -11.072 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.813 -11.739 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.683 -12.814 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.925 -13.681 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.349 -13.599 -2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.694 -13.703 -1.831 1.00 0.00 H new ATOM 938 N MET A 59 6.723 -8.521 -3.640 1.00 0.00 N ATOM 939 CA MET A 59 6.129 -7.419 -4.414 1.00 0.00 C ATOM 940 C MET A 59 6.195 -7.670 -5.926 1.00 0.00 C ATOM 941 O MET A 59 5.625 -6.926 -6.713 1.00 0.00 O ATOM 942 CB MET A 59 6.825 -6.097 -4.073 1.00 0.00 C ATOM 943 CG MET A 59 6.893 -5.807 -2.579 1.00 0.00 C ATOM 944 SD MET A 59 7.671 -4.221 -2.200 1.00 0.00 S ATOM 945 CE MET A 59 6.426 -3.074 -2.781 1.00 0.00 C ATOM 0 H MET A 59 7.581 -8.265 -3.151 1.00 0.00 H new ATOM 0 HA MET A 59 5.076 -7.361 -4.137 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.837 -6.115 -4.477 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.299 -5.281 -4.569 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.884 -5.818 -2.167 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.448 -6.605 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.802 -2.539 -3.653 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.524 -3.623 -3.053 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.192 -2.360 -1.991 1.00 0.00 H new ATOM 955 N ASN A 60 6.893 -8.718 -6.324 1.00 0.00 N ATOM 956 CA ASN A 60 7.046 -9.054 -7.741 1.00 0.00 C ATOM 957 C ASN A 60 5.938 -9.993 -8.207 1.00 0.00 C ATOM 958 O ASN A 60 5.767 -10.238 -9.395 1.00 0.00 O ATOM 959 CB ASN A 60 8.422 -9.691 -7.992 1.00 0.00 C ATOM 960 CG ASN A 60 8.715 -10.871 -7.072 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.815 -11.610 -6.672 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.973 -11.041 -6.719 1.00 0.00 N ATOM 0 H ASN A 60 7.368 -9.358 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 60 6.972 -8.131 -8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.477 -10.024 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.195 -8.934 -7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.228 -11.805 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.691 -10.408 -7.071 1.00 0.00 H new ATOM 969 N SER A 61 5.203 -10.538 -7.262 1.00 0.00 N ATOM 970 CA SER A 61 4.122 -11.447 -7.560 1.00 0.00 C ATOM 971 C SER A 61 2.827 -10.704 -7.868 1.00 0.00 C ATOM 972 O SER A 61 1.915 -11.249 -8.501 1.00 0.00 O ATOM 973 CB SER A 61 3.912 -12.383 -6.381 1.00 0.00 C ATOM 974 OG SER A 61 5.055 -13.187 -6.160 1.00 0.00 O ATOM 0 H SER A 61 5.339 -10.362 -6.267 1.00 0.00 H new ATOM 0 HA SER A 61 4.394 -12.018 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.694 -11.802 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.046 -13.019 -6.567 1.00 0.00 H new ATOM 0 HG SER A 61 4.896 -13.779 -5.396 1.00 0.00 H new ATOM 980 N LEU A 62 2.734 -9.469 -7.440 1.00 0.00 N ATOM 981 CA LEU A 62 1.517 -8.717 -7.622 1.00 0.00 C ATOM 982 C LEU A 62 1.765 -7.280 -8.084 1.00 0.00 C ATOM 983 O LEU A 62 2.844 -6.721 -7.904 1.00 0.00 O ATOM 984 CB LEU A 62 0.681 -8.757 -6.339 1.00 0.00 C ATOM 985 CG LEU A 62 1.443 -8.550 -5.026 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.972 -7.137 -4.918 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.554 -8.879 -3.848 1.00 0.00 C ATOM 0 H LEU A 62 3.483 -8.965 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 62 0.957 -9.194 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.092 -7.992 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.173 -9.720 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 62 2.298 -9.226 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.508 -7.020 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.650 -6.938 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.140 -6.433 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.107 -8.728 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.320 -8.228 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.233 -9.919 -3.914 1.00 0.00 H new ATOM 999 N ARG A 63 0.752 -6.710 -8.697 1.00 0.00 N ATOM 1000 CA ARG A 63 0.808 -5.346 -9.186 1.00 0.00 C ATOM 1001 C ARG A 63 -0.173 -4.441 -8.479 1.00 0.00 C ATOM 1002 O ARG A 63 -1.322 -4.803 -8.242 1.00 0.00 O ATOM 1003 CB ARG A 63 0.619 -5.284 -10.693 1.00 0.00 C ATOM 1004 CG ARG A 63 -0.100 -6.469 -11.281 1.00 0.00 C ATOM 1005 CD ARG A 63 0.098 -6.511 -12.773 1.00 0.00 C ATOM 1006 NE ARG A 63 1.518 -6.570 -13.120 1.00 0.00 N ATOM 1007 CZ ARG A 63 2.002 -6.480 -14.357 1.00 0.00 C ATOM 1008 NH1 ARG A 63 1.181 -6.320 -15.386 1.00 0.00 N ATOM 1009 NH2 ARG A 63 3.310 -6.551 -14.556 1.00 0.00 N ATOM 0 H ARG A 63 -0.137 -7.178 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 63 1.807 -4.976 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.064 -4.379 -10.940 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.597 -5.197 -11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.273 -7.389 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.164 -6.409 -11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.416 -7.379 -13.186 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.353 -5.628 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 63 2.186 -6.689 -12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.174 -6.265 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.556 -6.252 -16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.940 -6.674 -13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.686 -6.483 -15.502 1.00 0.00 H new ATOM 1023 N PHE A 64 0.293 -3.253 -8.168 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.467 -2.255 -7.429 1.00 0.00 C ATOM 1025 C PHE A 64 -0.759 -1.044 -8.310 1.00 0.00 C ATOM 1026 O PHE A 64 0.160 -0.392 -8.821 1.00 0.00 O ATOM 1027 CB PHE A 64 0.331 -1.825 -6.172 1.00 0.00 C ATOM 1028 CG PHE A 64 1.817 -2.107 -6.273 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.584 -1.535 -7.279 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.438 -2.959 -5.374 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.928 -1.812 -7.386 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.783 -3.235 -5.472 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.529 -2.666 -6.480 1.00 0.00 C ATOM 0 H PHE A 64 1.230 -2.941 -8.424 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.418 -2.689 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.182 -0.758 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.071 -2.343 -5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.120 -0.864 -7.987 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.858 -3.413 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.512 -1.363 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.253 -3.897 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.583 -2.887 -6.563 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.031 -0.739 -8.502 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.412 0.404 -9.312 1.00 0.00 C ATOM 1045 C LEU A 65 -3.647 1.108 -8.727 1.00 0.00 C ATOM 1046 O LEU A 65 -4.358 0.559 -7.886 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.633 -0.010 -10.808 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.955 -0.715 -11.196 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.298 -1.824 -10.236 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.101 0.285 -11.327 1.00 0.00 C ATOM 0 H LEU A 65 -2.813 -1.264 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.590 1.119 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.548 0.890 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.812 -0.667 -11.094 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.804 -1.171 -12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.232 -2.294 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.500 -2.567 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.410 -1.415 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.015 -0.243 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.248 0.797 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.860 1.016 -12.099 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.898 2.315 -9.182 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.036 3.096 -8.746 1.00 0.00 C ATOM 1064 C PHE A 66 -5.520 3.951 -9.892 1.00 0.00 C ATOM 1065 O PHE A 66 -4.719 4.543 -10.593 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.662 3.972 -7.548 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.768 4.866 -7.082 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.813 4.359 -6.341 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.754 6.216 -7.378 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.829 5.179 -5.901 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.765 7.043 -6.946 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.807 6.526 -6.204 1.00 0.00 C ATOM 0 H PHE A 66 -3.313 2.787 -9.871 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.834 2.422 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.355 3.330 -6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.800 4.584 -7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.836 3.306 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.939 6.627 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.642 4.769 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.743 8.095 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.602 7.172 -5.862 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.844 3.987 -10.088 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.511 4.753 -11.170 1.00 0.00 C ATOM 1084 C GLU A 67 -6.876 4.498 -12.554 1.00 0.00 C ATOM 1085 O GLU A 67 -6.983 5.322 -13.467 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.554 6.273 -10.870 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.207 6.965 -10.927 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.317 8.466 -11.038 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.434 9.136 -10.002 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.283 8.988 -12.168 1.00 0.00 O ATOM 0 H GLU A 67 -7.500 3.479 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.536 4.385 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.224 6.752 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.983 6.423 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.638 6.714 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.645 6.584 -11.780 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.266 3.335 -12.720 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.620 3.005 -13.976 1.00 0.00 C ATOM 1099 C GLY A 68 -4.180 3.482 -14.044 1.00 0.00 C ATOM 1100 O GLY A 68 -3.617 3.637 -15.131 1.00 0.00 O ATOM 0 H GLY A 68 -6.206 2.610 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.647 1.925 -14.119 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.184 3.449 -14.796 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.568 3.706 -12.896 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.187 4.170 -12.841 1.00 0.00 C ATOM 1106 C GLN A 69 -1.398 3.291 -11.886 1.00 0.00 C ATOM 1107 O GLN A 69 -1.889 2.929 -10.826 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.122 5.637 -12.366 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.867 5.790 -10.867 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.028 7.199 -10.372 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.092 7.993 -10.408 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.197 7.501 -9.864 1.00 0.00 N ATOM 0 H GLN A 69 -4.004 3.575 -11.984 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.758 4.110 -13.841 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.332 6.152 -12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.060 6.132 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.553 5.141 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.857 5.447 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.945 6.807 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.360 8.430 -9.476 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.203 2.913 -12.259 1.00 0.00 N ATOM 1122 CA ARG A 70 0.632 2.113 -11.378 1.00 0.00 C ATOM 1123 C ARG A 70 1.085 2.924 -10.168 1.00 0.00 C ATOM 1124 O ARG A 70 1.286 4.144 -10.243 1.00 0.00 O ATOM 1125 CB ARG A 70 1.848 1.572 -12.123 1.00 0.00 C ATOM 1126 CG ARG A 70 2.775 2.655 -12.640 1.00 0.00 C ATOM 1127 CD ARG A 70 4.220 2.315 -12.356 1.00 0.00 C ATOM 1128 NE ARG A 70 5.125 3.366 -12.818 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.436 3.404 -12.565 1.00 0.00 C ATOM 1130 NH1 ARG A 70 7.013 2.440 -11.854 1.00 0.00 N ATOM 1131 NH2 ARG A 70 7.168 4.409 -13.025 1.00 0.00 N ATOM 0 H ARG A 70 0.219 3.140 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 70 0.031 1.273 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.407 0.914 -11.458 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.509 0.965 -12.962 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.631 2.779 -13.713 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.523 3.607 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.354 2.164 -11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.475 1.375 -12.845 1.00 0.00 H new ATOM 0 HE ARG A 70 4.727 4.124 -13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.454 1.665 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.015 2.476 -11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.730 5.151 -13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.169 4.440 -12.833 1.00 0.00 H new ATOM 1145 N ILE A 71 1.241 2.262 -9.051 1.00 0.00 N ATOM 1146 CA ILE A 71 1.685 2.920 -7.852 1.00 0.00 C ATOM 1147 C ILE A 71 3.179 2.720 -7.682 1.00 0.00 C ATOM 1148 O ILE A 71 3.654 1.594 -7.552 1.00 0.00 O ATOM 1149 CB ILE A 71 0.965 2.382 -6.603 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.552 2.299 -6.831 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.271 3.262 -5.414 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.184 3.591 -7.303 1.00 0.00 C ATOM 0 H ILE A 71 1.066 1.262 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 71 1.450 3.980 -7.953 1.00 0.00 H new ATOM 0 HB ILE A 71 1.329 1.374 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.755 1.520 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.031 1.993 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.758 2.875 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.346 3.269 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.930 4.277 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.255 3.444 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.016 4.371 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.736 3.890 -8.251 1.00 0.00 H new ATOM 1164 N ALA A 72 3.930 3.803 -7.679 1.00 0.00 N ATOM 1165 CA ALA A 72 5.363 3.714 -7.548 1.00 0.00 C ATOM 1166 C ALA A 72 5.784 4.087 -6.142 1.00 0.00 C ATOM 1167 O ALA A 72 4.998 4.644 -5.373 1.00 0.00 O ATOM 1168 CB ALA A 72 6.043 4.603 -8.571 1.00 0.00 C ATOM 0 H ALA A 72 3.568 4.753 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 72 5.671 2.685 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.124 4.525 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.758 4.287 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.736 5.637 -8.416 1.00 0.00 H new ATOM 1174 N ASP A 73 7.024 3.798 -5.808 1.00 0.00 N ATOM 1175 CA ASP A 73 7.558 4.064 -4.477 1.00 0.00 C ATOM 1176 C ASP A 73 7.648 5.559 -4.192 1.00 0.00 C ATOM 1177 O ASP A 73 7.648 5.981 -3.039 1.00 0.00 O ATOM 1178 CB ASP A 73 8.938 3.405 -4.304 1.00 0.00 C ATOM 1179 CG ASP A 73 9.979 3.955 -5.245 1.00 0.00 C ATOM 1180 OD1 ASP A 73 9.925 3.628 -6.447 1.00 0.00 O ATOM 1181 OD2 ASP A 73 10.866 4.710 -4.784 1.00 0.00 O ATOM 0 H ASP A 73 7.695 3.372 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 73 6.865 3.629 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.275 3.546 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.844 2.331 -4.464 1.00 0.00 H new ATOM 1186 N ASN A 74 7.689 6.371 -5.238 1.00 0.00 N ATOM 1187 CA ASN A 74 7.807 7.816 -5.063 1.00 0.00 C ATOM 1188 C ASN A 74 6.451 8.469 -5.188 1.00 0.00 C ATOM 1189 O ASN A 74 6.321 9.689 -5.108 1.00 0.00 O ATOM 1190 CB ASN A 74 8.747 8.430 -6.102 1.00 0.00 C ATOM 1191 CG ASN A 74 10.030 7.672 -6.254 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.012 7.937 -5.555 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.040 6.728 -7.176 1.00 0.00 N ATOM 0 H ASN A 74 7.643 6.061 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 74 8.218 7.992 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.239 8.469 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.971 9.458 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.885 6.180 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.202 6.546 -7.729 1.00 0.00 H new ATOM 1200 N HIS A 75 5.431 7.659 -5.387 1.00 0.00 N ATOM 1201 CA HIS A 75 4.075 8.172 -5.517 1.00 0.00 C ATOM 1202 C HIS A 75 3.503 8.438 -4.150 1.00 0.00 C ATOM 1203 O HIS A 75 3.770 7.704 -3.212 1.00 0.00 O ATOM 1204 CB HIS A 75 3.173 7.192 -6.281 1.00 0.00 C ATOM 1205 CG HIS A 75 3.054 7.480 -7.752 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.383 6.647 -8.634 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.499 8.523 -8.496 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.428 7.165 -9.845 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.097 8.298 -9.788 1.00 0.00 N ATOM 0 H HIS A 75 5.511 6.645 -5.463 1.00 0.00 H new ATOM 0 HA HIS A 75 4.116 9.100 -6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.561 6.182 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.178 7.211 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.064 9.371 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.991 6.734 -10.733 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.286 8.912 -10.580 1.00 0.00 H new ATOM 1218 N THR A 76 2.754 9.501 -4.015 1.00 0.00 N ATOM 1219 CA THR A 76 2.142 9.833 -2.733 1.00 0.00 C ATOM 1220 C THR A 76 0.624 9.790 -2.835 1.00 0.00 C ATOM 1221 O THR A 76 0.061 9.983 -3.919 1.00 0.00 O ATOM 1222 CB THR A 76 2.580 11.230 -2.241 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.116 12.229 -3.133 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.085 11.316 -2.143 1.00 0.00 C ATOM 0 H THR A 76 2.547 10.157 -4.768 1.00 0.00 H new ATOM 0 HA THR A 76 2.480 9.088 -2.013 1.00 0.00 H new ATOM 0 HB THR A 76 2.149 11.390 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.881 12.702 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.371 12.309 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.447 10.566 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.524 11.135 -3.124 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.065 9.530 -1.708 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.522 9.467 -1.678 1.00 0.00 C ATOM 1234 C PRO A 77 -2.147 10.794 -2.079 1.00 0.00 C ATOM 1235 O PRO A 77 -3.159 10.838 -2.774 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.848 9.152 -0.210 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.592 8.606 0.365 1.00 0.00 C ATOM 1238 CD PRO A 77 0.526 9.265 -0.381 1.00 0.00 C ATOM 0 HA PRO A 77 -1.913 8.727 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.167 10.048 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.661 8.430 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.527 8.818 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.550 7.523 0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.849 10.185 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.400 8.618 -0.451 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.527 11.887 -1.657 1.00 0.00 N ATOM 1247 CA LYS A 78 -2.044 13.212 -1.953 1.00 0.00 C ATOM 1248 C LYS A 78 -1.918 13.526 -3.440 1.00 0.00 C ATOM 1249 O LYS A 78 -2.812 14.122 -4.036 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.322 14.278 -1.133 1.00 0.00 C ATOM 1251 CG LYS A 78 0.154 14.365 -1.434 1.00 0.00 C ATOM 1252 CD LYS A 78 0.716 15.719 -1.089 1.00 0.00 C ATOM 1253 CE LYS A 78 2.048 15.926 -1.771 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.556 17.309 -1.590 1.00 0.00 N ATOM 0 H LYS A 78 -0.666 11.881 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.100 13.221 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.782 15.247 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.457 14.064 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.685 13.597 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.322 14.160 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.018 16.498 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.836 15.806 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.774 15.218 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.947 15.713 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.472 17.409 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.876 17.984 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.677 17.504 -0.576 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.814 13.105 -4.045 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.573 13.367 -5.447 1.00 0.00 C ATOM 1270 C GLU A 79 -1.465 12.513 -6.322 1.00 0.00 C ATOM 1271 O GLU A 79 -1.968 12.968 -7.346 1.00 0.00 O ATOM 1272 CB GLU A 79 0.887 13.129 -5.795 1.00 0.00 C ATOM 1273 CG GLU A 79 1.829 14.227 -5.326 1.00 0.00 C ATOM 1274 CD GLU A 79 1.531 15.576 -5.935 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.683 16.312 -5.390 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.166 15.923 -6.948 1.00 0.00 O ATOM 0 H GLU A 79 -0.073 12.580 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.811 14.414 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.203 12.183 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.978 13.025 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.770 14.306 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.853 13.945 -5.570 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.685 11.263 -5.921 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.541 10.378 -6.696 1.00 0.00 C ATOM 1285 C LEU A 80 -4.017 10.728 -6.472 1.00 0.00 C ATOM 1286 O LEU A 80 -4.912 10.188 -7.123 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.276 8.895 -6.369 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.808 8.414 -6.473 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.740 6.925 -6.750 1.00 0.00 C ATOM 1290 CD2 LEU A 80 -0.043 9.173 -7.531 1.00 0.00 C ATOM 0 H LEU A 80 -1.288 10.848 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.302 10.526 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.627 8.702 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.883 8.285 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.339 8.613 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.303 6.615 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.228 6.382 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.246 6.706 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.982 8.806 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.520 9.027 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.038 10.235 -7.285 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.261 11.639 -5.542 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.613 12.099 -5.279 1.00 0.00 C ATOM 1304 C GLY A 81 -6.406 11.139 -4.424 1.00 0.00 C ATOM 1305 O GLY A 81 -7.573 10.864 -4.696 1.00 0.00 O ATOM 0 H GLY A 81 -3.543 12.072 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.571 13.069 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.131 12.247 -6.226 1.00 0.00 H new ATOM 1309 N MET A 82 -5.778 10.617 -3.394 1.00 0.00 N ATOM 1310 CA MET A 82 -6.427 9.695 -2.480 1.00 0.00 C ATOM 1311 C MET A 82 -6.797 10.417 -1.196 1.00 0.00 C ATOM 1312 O MET A 82 -6.319 11.526 -0.933 1.00 0.00 O ATOM 1313 CB MET A 82 -5.486 8.538 -2.147 1.00 0.00 C ATOM 1314 CG MET A 82 -5.036 7.729 -3.347 1.00 0.00 C ATOM 1315 SD MET A 82 -3.741 6.548 -2.926 1.00 0.00 S ATOM 1316 CE MET A 82 -3.387 5.855 -4.532 1.00 0.00 C ATOM 0 H MET A 82 -4.805 10.817 -3.164 1.00 0.00 H new ATOM 0 HA MET A 82 -7.327 9.307 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.606 8.936 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.984 7.872 -1.442 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.890 7.196 -3.764 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.672 8.404 -4.122 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.357 5.500 -4.556 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.063 5.022 -4.726 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.525 6.620 -5.297 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.641 9.805 -0.396 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.036 10.365 0.883 1.00 0.00 C ATOM 1328 C GLU A 83 -8.180 9.246 1.900 1.00 0.00 C ATOM 1329 O GLU A 83 -7.822 8.100 1.619 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.343 11.148 0.751 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.523 10.305 0.313 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.762 11.128 0.102 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.398 11.516 1.097 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.111 11.389 -1.066 1.00 0.00 O ATOM 0 H GLU A 83 -8.074 8.907 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.267 11.059 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.576 11.611 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.200 11.956 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.272 9.785 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.720 9.541 1.065 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.702 9.548 3.079 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.841 8.529 4.097 1.00 0.00 C ATOM 1343 C GLU A 84 -9.936 7.536 3.734 1.00 0.00 C ATOM 1344 O GLU A 84 -10.993 7.905 3.208 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.098 9.133 5.481 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.468 9.747 5.653 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.728 10.177 7.071 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.992 9.303 7.923 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.674 11.389 7.345 1.00 0.00 O ATOM 0 H GLU A 84 -9.030 10.476 3.348 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.892 7.994 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.965 8.355 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.345 9.896 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.563 10.608 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.227 9.026 5.349 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.649 6.273 3.993 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.538 5.149 3.750 1.00 0.00 C ATOM 1358 C GLU A 85 -10.628 4.806 2.252 1.00 0.00 C ATOM 1359 O GLU A 85 -11.420 3.948 1.842 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.914 5.390 4.370 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.676 4.117 4.675 1.00 0.00 C ATOM 1362 CD GLU A 85 -11.906 3.162 5.577 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -11.129 3.633 6.435 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -12.085 1.930 5.437 1.00 0.00 O ATOM 0 H GLU A 85 -8.755 5.990 4.394 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.110 4.276 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.793 5.960 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.506 6.004 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.623 4.372 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.915 3.611 3.740 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.817 5.480 1.428 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.777 5.182 -0.009 1.00 0.00 C ATOM 1373 C ASP A 86 -9.218 3.785 -0.256 1.00 0.00 C ATOM 1374 O ASP A 86 -8.619 3.170 0.636 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.954 6.213 -0.775 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.622 6.606 -2.078 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.711 5.759 -2.990 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -10.082 7.765 -2.189 1.00 0.00 O ATOM 0 H ASP A 86 -9.188 6.225 1.726 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.802 5.226 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.813 7.099 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.963 5.808 -0.981 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.389 3.280 -1.459 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.985 1.922 -1.766 1.00 0.00 C ATOM 1385 C VAL A 87 -8.084 1.856 -3.000 1.00 0.00 C ATOM 1386 O VAL A 87 -8.238 2.625 -3.950 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.228 1.016 -1.983 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.031 1.475 -3.193 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.829 -0.441 -2.125 1.00 0.00 C ATOM 0 H VAL A 87 -9.804 3.787 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.415 1.561 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.860 1.105 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.896 0.825 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.368 2.500 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.405 1.429 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.721 -1.049 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.164 -0.554 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.316 -0.767 -1.221 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.138 0.937 -2.975 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.240 0.718 -4.092 1.00 0.00 C ATOM 1401 C ILE A 88 -6.483 -0.685 -4.654 1.00 0.00 C ATOM 1402 O ILE A 88 -6.911 -1.585 -3.922 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.751 0.873 -3.666 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.558 2.168 -2.872 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.825 0.854 -4.872 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.580 1.971 -1.374 1.00 0.00 C ATOM 0 H ILE A 88 -6.970 0.321 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.441 1.469 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.495 0.024 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.608 2.620 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.342 2.873 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.793 0.964 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.937 -0.092 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.081 1.676 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.437 2.931 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.540 1.548 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.779 1.291 -1.085 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.207 -0.883 -5.932 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.485 -2.155 -6.578 1.00 0.00 C ATOM 1420 C GLU A 89 -5.192 -2.916 -6.842 1.00 0.00 C ATOM 1421 O GLU A 89 -4.174 -2.329 -7.231 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.240 -1.923 -7.885 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.684 -3.197 -8.570 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.719 -3.957 -7.775 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.910 -3.563 -7.804 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.362 -4.956 -7.135 1.00 0.00 O ATOM 0 H GLU A 89 -5.791 -0.180 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.106 -2.755 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.116 -1.306 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.603 -1.359 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.092 -2.954 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.817 -3.837 -8.735 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.210 -4.214 -6.600 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.046 -5.046 -6.795 1.00 0.00 C ATOM 1435 C VAL A 90 -4.378 -6.278 -7.627 1.00 0.00 C ATOM 1436 O VAL A 90 -5.404 -6.928 -7.426 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.478 -5.495 -5.432 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.286 -6.426 -5.605 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.098 -4.286 -4.604 1.00 0.00 C ATOM 0 H VAL A 90 -6.032 -4.716 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.303 -4.453 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.254 -6.052 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.911 -6.723 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.594 -7.312 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.498 -5.910 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.698 -4.613 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.342 -3.706 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.980 -3.667 -4.438 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.501 -6.606 -8.552 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.674 -7.768 -9.400 1.00 0.00 C ATOM 1451 C TYR A 91 -2.467 -8.685 -9.282 1.00 0.00 C ATOM 1452 O TYR A 91 -1.438 -8.303 -8.741 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.865 -7.352 -10.855 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.159 -6.617 -11.127 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.321 -7.313 -11.421 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.215 -5.230 -11.106 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.503 -6.653 -11.684 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.393 -4.564 -11.372 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.532 -5.280 -11.659 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.707 -4.614 -11.924 1.00 0.00 O ATOM 0 H TYR A 91 -2.649 -6.076 -8.738 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.566 -8.302 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.030 -6.717 -11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.827 -8.242 -11.483 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.300 -8.393 -11.445 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.323 -4.665 -10.878 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.400 -7.212 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.421 -3.485 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.556 -3.648 -11.864 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.590 -9.890 -9.782 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.508 -10.859 -9.723 1.00 0.00 C ATOM 1472 C GLN A 92 -0.710 -10.823 -11.021 1.00 0.00 C ATOM 1473 O GLN A 92 -1.281 -10.704 -12.103 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.083 -12.267 -9.529 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.114 -13.259 -8.915 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.010 -13.107 -7.409 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.753 -13.735 -6.665 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.094 -12.274 -6.951 1.00 0.00 N ATOM 0 H GLN A 92 -3.435 -10.231 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.856 -10.609 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.967 -12.201 -8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.411 -12.649 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.435 -14.273 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.128 -13.124 -9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.507 -11.768 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.013 -12.136 -5.946 1.00 0.00 H new ATOM 1487 N GLU A 93 0.608 -10.908 -10.927 1.00 0.00 N ATOM 1488 CA GLU A 93 1.449 -10.949 -12.116 1.00 0.00 C ATOM 1489 C GLU A 93 2.383 -12.148 -12.060 1.00 0.00 C ATOM 1490 O GLU A 93 3.406 -12.197 -12.746 1.00 0.00 O ATOM 1491 CB GLU A 93 2.237 -9.649 -12.295 1.00 0.00 C ATOM 1492 CG GLU A 93 3.129 -9.279 -11.127 1.00 0.00 C ATOM 1493 CD GLU A 93 3.982 -8.068 -11.427 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.474 -6.936 -11.304 1.00 0.00 O ATOM 1495 OE2 GLU A 93 5.161 -8.241 -11.810 1.00 0.00 O ATOM 0 H GLU A 93 1.118 -10.950 -10.045 1.00 0.00 H new ATOM 0 HA GLU A 93 0.798 -11.054 -12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.852 -9.734 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.533 -8.835 -12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.514 -9.080 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.772 -10.124 -10.881 1.00 0.00 H new ATOM 1502 N GLN A 94 2.025 -13.113 -11.218 1.00 0.00 N ATOM 1503 CA GLN A 94 2.766 -14.367 -11.084 1.00 0.00 C ATOM 1504 C GLN A 94 2.732 -15.177 -12.394 1.00 0.00 C ATOM 1505 O GLN A 94 2.405 -14.654 -13.462 1.00 0.00 O ATOM 1506 CB GLN A 94 2.184 -15.194 -9.935 1.00 0.00 C ATOM 1507 CG GLN A 94 2.366 -14.563 -8.572 1.00 0.00 C ATOM 1508 CD GLN A 94 1.706 -15.361 -7.468 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.273 -15.306 -6.281 1.00 0.00 O flip ATOM 1510 NE2 GLN A 94 0.696 -16.030 -7.687 1.00 0.00 N flip ATOM 0 H GLN A 94 1.211 -13.049 -10.607 1.00 0.00 H new ATOM 0 HA GLN A 94 3.807 -14.128 -10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.120 -15.348 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.653 -16.178 -9.935 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.431 -14.467 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.952 -13.555 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.287 -16.046 -8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.268 -16.568 -6.934 1.00 0.00 H new ATOM 1519 N THR A 95 3.027 -16.457 -12.315 1.00 0.00 N ATOM 1520 CA THR A 95 3.086 -17.280 -13.504 1.00 0.00 C ATOM 1521 C THR A 95 2.078 -18.428 -13.424 1.00 0.00 C ATOM 1522 O THR A 95 1.608 -18.942 -14.444 1.00 0.00 O ATOM 1523 CB THR A 95 4.517 -17.831 -13.736 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.552 -18.635 -14.916 1.00 0.00 O ATOM 1525 CG2 THR A 95 4.989 -18.649 -12.542 1.00 0.00 C ATOM 0 H THR A 95 3.229 -16.948 -11.444 1.00 0.00 H new ATOM 0 HA THR A 95 2.824 -16.650 -14.354 1.00 0.00 H new ATOM 0 HB THR A 95 5.188 -16.981 -13.859 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.461 -18.976 -15.053 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.995 -19.023 -12.732 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.998 -18.021 -11.651 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.313 -19.490 -12.387 1.00 0.00 H new ATOM 1533 N GLY A 96 1.728 -18.817 -12.212 1.00 0.00 N ATOM 1534 CA GLY A 96 0.790 -19.890 -12.019 1.00 0.00 C ATOM 1535 C GLY A 96 1.180 -20.745 -10.845 1.00 0.00 C ATOM 1536 O GLY A 96 2.291 -21.279 -10.797 1.00 0.00 O ATOM 0 H GLY A 96 2.083 -18.401 -11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.208 -19.481 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.743 -20.503 -12.919 1.00 0.00 H new ATOM 1540 N GLY A 97 0.293 -20.867 -9.882 1.00 0.00 N ATOM 1541 CA GLY A 97 0.589 -21.643 -8.705 1.00 0.00 C ATOM 1542 C GLY A 97 1.285 -20.813 -7.654 1.00 0.00 C ATOM 1543 O GLY A 97 2.537 -20.753 -7.664 1.00 0.00 O ATOM 1544 OXT GLY A 97 0.591 -20.203 -6.822 1.00 0.00 O ATOM 0 H GLY A 97 -0.633 -20.440 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.335 -22.050 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.218 -22.491 -8.976 1.00 0.00 H new TER 1548 GLY A 97