USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 48 ASN : amide:sc= -3.16! C(o=-7.9!,f=-7.9!) USER MOD Set 1.2: A 80 CYS SG : rot -26:sc= -4.7! USER MOD Set 2.1: A 6 MET CE :methyl -149:sc= -1.34 (180deg=-0.582) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 169:sc= -3.65! (180deg=-1.93) USER MOD Set 2.3: A 35 GLN : amide:sc= -3.95! C(o=-8.9!,f=-9.6!) USER MOD Set 3.1: A 23 HIS : no HD1:sc= -6.97! C(o=-14!,f=-22!) USER MOD Set 3.2: A 24 HIS : no HE2:sc= -6.69! C(o=-14!,f=-16!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -97:sc= -1! USER MOD Single : A 14 CYS SG : rot -50:sc= -8.04! USER MOD Single : A 18 THR OG1 : rot 25:sc= -0.222! USER MOD Single : A 25 THR OG1 : rot -137:sc= -5.27! USER MOD Single : A 28 THR OG1 : rot 120:sc= -0.117 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.022) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -4.73! (180deg=-7.07!) USER MOD Single : A 44 HIS : no HD1:sc= -17.7! C(o=-18!,f=-15!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 55 MET CE :methyl -165:sc= -18.6! (180deg=-19.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -140:sc= -1.11 USER MOD Single : A 67 TYR OH : rot -64:sc= -4.33! USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -1.24 (180deg=-4.09!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -149:sc= -0.395 (180deg=-1.35) USER MOD Single : A 83 SER OG : rot 180:sc= 0.687 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.25! C(o=-2.2!,f=-9.1!) USER MOD Single : A 107 GLN : amide:sc= -1.41 K(o=-1.4,f=-6.1!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.550 -13.245 -0.806 1.00 0.00 N ATOM 12 CA LEU A 2 -7.414 -12.468 -0.340 1.00 0.00 C ATOM 13 C LEU A 2 -6.121 -13.223 -0.654 1.00 0.00 C ATOM 14 O LEU A 2 -6.009 -14.415 -0.371 1.00 0.00 O ATOM 15 CB LEU A 2 -7.577 -12.117 1.141 1.00 0.00 C ATOM 16 CG LEU A 2 -6.391 -11.406 1.796 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.701 -9.926 2.030 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.971 -12.114 3.085 1.00 0.00 C ATOM 0 HA LEU A 2 -7.363 -11.515 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.459 -11.485 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.774 -13.036 1.692 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.544 -11.454 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.842 -9.444 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.914 -9.444 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.568 -9.835 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.126 -11.588 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.806 -12.119 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.681 -13.140 2.859 1.00 0.00 H new ATOM 29 N GLY A 3 -5.177 -12.499 -1.236 1.00 0.00 N ATOM 30 CA GLY A 3 -3.896 -13.086 -1.592 1.00 0.00 C ATOM 31 C GLY A 3 -2.761 -12.076 -1.409 1.00 0.00 C ATOM 32 O GLY A 3 -2.298 -11.474 -2.377 1.00 0.00 O ATOM 0 H GLY A 3 -5.273 -11.511 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.710 -13.964 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.922 -13.425 -2.628 1.00 0.00 H new ATOM 36 N ILE A 4 -2.345 -11.922 -0.160 1.00 0.00 N ATOM 37 CA ILE A 4 -1.272 -10.995 0.162 1.00 0.00 C ATOM 38 C ILE A 4 0.051 -11.548 -0.371 1.00 0.00 C ATOM 39 O ILE A 4 0.221 -12.761 -0.485 1.00 0.00 O ATOM 40 CB ILE A 4 -1.254 -10.697 1.663 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.001 -9.910 2.050 1.00 0.00 C ATOM 42 CG2 ILE A 4 -1.399 -11.983 2.478 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.087 -8.599 1.266 1.00 0.00 C ATOM 0 H ILE A 4 -2.731 -12.423 0.640 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.437 -10.036 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.113 -10.069 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.016 -9.698 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.886 -10.514 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.383 -11.744 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.343 -12.467 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.574 -12.656 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.987 -8.059 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.126 -8.815 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.790 -7.987 1.480 1.00 0.00 H new ATOM 54 N ASP A 5 0.955 -10.632 -0.686 1.00 0.00 N ATOM 55 CA ASP A 5 2.257 -11.012 -1.204 1.00 0.00 C ATOM 56 C ASP A 5 3.326 -10.086 -0.618 1.00 0.00 C ATOM 57 O ASP A 5 3.002 -9.086 0.020 1.00 0.00 O ATOM 58 CB ASP A 5 2.303 -10.882 -2.729 1.00 0.00 C ATOM 59 CG ASP A 5 3.413 -11.682 -3.413 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.277 -12.274 -2.749 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.369 -11.684 -4.702 1.00 0.00 O ATOM 0 H ASP A 5 0.811 -9.627 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 5 2.441 -12.049 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.343 -11.201 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.424 -9.829 -2.985 1.00 0.00 H new ATOM 66 N MET A 6 4.577 -10.453 -0.857 1.00 0.00 N ATOM 67 CA MET A 6 5.693 -9.668 -0.360 1.00 0.00 C ATOM 68 C MET A 6 6.954 -9.922 -1.191 1.00 0.00 C ATOM 69 O MET A 6 7.284 -11.069 -1.488 1.00 0.00 O ATOM 70 CB MET A 6 5.963 -10.030 1.101 1.00 0.00 C ATOM 71 CG MET A 6 5.175 -9.120 2.046 1.00 0.00 C ATOM 72 SD MET A 6 5.692 -9.395 3.731 1.00 0.00 S ATOM 73 CE MET A 6 7.286 -8.593 3.702 1.00 0.00 C ATOM 0 H MET A 6 4.841 -11.283 -1.388 1.00 0.00 H new ATOM 0 HA MET A 6 5.434 -8.612 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.688 -11.070 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.029 -9.942 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.333 -8.076 1.774 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.107 -9.317 1.948 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.958 -9.093 4.399 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.702 -8.646 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.173 -7.549 3.993 1.00 0.00 H new ATOM 81 N ASN A 7 7.623 -8.833 -1.541 1.00 0.00 N ATOM 82 CA ASN A 7 8.838 -8.924 -2.330 1.00 0.00 C ATOM 83 C ASN A 7 9.826 -7.852 -1.863 1.00 0.00 C ATOM 84 O ASN A 7 9.446 -6.918 -1.160 1.00 0.00 O ATOM 85 CB ASN A 7 8.551 -8.686 -3.815 1.00 0.00 C ATOM 86 CG ASN A 7 8.938 -9.908 -4.650 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.136 -10.787 -4.920 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.208 -9.914 -5.045 1.00 0.00 N ATOM 0 H ASN A 7 7.346 -7.883 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 7 9.251 -9.924 -2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.492 -8.466 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.106 -7.814 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.563 -10.686 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.827 -9.146 -4.784 1.00 0.00 H new ATOM 94 N VAL A 8 11.075 -8.025 -2.273 1.00 0.00 N ATOM 95 CA VAL A 8 12.119 -7.084 -1.904 1.00 0.00 C ATOM 96 C VAL A 8 12.940 -6.729 -3.146 1.00 0.00 C ATOM 97 O VAL A 8 13.196 -7.586 -3.991 1.00 0.00 O ATOM 98 CB VAL A 8 12.968 -7.663 -0.771 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.431 -7.803 -1.198 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.846 -6.813 0.495 1.00 0.00 C ATOM 0 H VAL A 8 11.387 -8.802 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 8 11.684 -6.159 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 8 12.588 -8.659 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.012 -8.217 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.497 -8.469 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.827 -6.823 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.459 -7.247 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.187 -5.799 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.805 -6.787 0.817 1.00 0.00 H new ATOM 110 N LYS A 9 13.329 -5.465 -3.217 1.00 0.00 N ATOM 111 CA LYS A 9 14.117 -4.986 -4.340 1.00 0.00 C ATOM 112 C LYS A 9 15.070 -3.891 -3.860 1.00 0.00 C ATOM 113 O LYS A 9 14.650 -2.762 -3.610 1.00 0.00 O ATOM 114 CB LYS A 9 13.202 -4.546 -5.485 1.00 0.00 C ATOM 115 CG LYS A 9 11.750 -4.936 -5.208 1.00 0.00 C ATOM 116 CD LYS A 9 11.495 -6.400 -5.578 1.00 0.00 C ATOM 117 CE LYS A 9 10.453 -6.510 -6.692 1.00 0.00 C ATOM 118 NZ LYS A 9 11.065 -7.065 -7.921 1.00 0.00 N ATOM 0 H LYS A 9 13.113 -4.757 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 9 14.733 -5.789 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.273 -3.466 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.534 -5.004 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.522 -4.779 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.081 -4.291 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.427 -6.865 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.152 -6.947 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.631 -7.148 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.030 -5.527 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.344 -7.133 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.834 -6.441 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.447 -8.011 -7.722 1.00 0.00 H new ATOM 127 N GLU A 10 16.337 -4.263 -3.743 1.00 0.00 N ATOM 128 CA GLU A 10 17.354 -3.326 -3.297 1.00 0.00 C ATOM 129 C GLU A 10 17.063 -2.869 -1.866 1.00 0.00 C ATOM 130 O GLU A 10 17.979 -2.514 -1.125 1.00 0.00 O ATOM 131 CB GLU A 10 17.452 -2.130 -4.245 1.00 0.00 C ATOM 132 CG GLU A 10 18.172 -0.957 -3.576 1.00 0.00 C ATOM 133 CD GLU A 10 19.058 -0.214 -4.578 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.545 0.382 -5.537 1.00 0.00 O ATOM 135 OE2 GLU A 10 20.323 -0.268 -4.333 1.00 0.00 O ATOM 0 H GLU A 10 16.682 -5.200 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 10 18.318 -3.835 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.986 -2.421 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.452 -1.821 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.439 -0.269 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.780 -1.323 -2.749 1.00 0.00 H new ATOM 141 N SER A 11 15.785 -2.894 -1.519 1.00 0.00 N ATOM 142 CA SER A 11 15.362 -2.486 -0.190 1.00 0.00 C ATOM 143 C SER A 11 13.865 -2.172 -0.191 1.00 0.00 C ATOM 144 O SER A 11 13.289 -1.873 0.855 1.00 0.00 O ATOM 145 CB SER A 11 16.159 -1.273 0.294 1.00 0.00 C ATOM 146 OG SER A 11 16.845 -0.624 -0.774 1.00 0.00 O ATOM 0 H SER A 11 15.028 -3.191 -2.135 1.00 0.00 H new ATOM 0 HA SER A 11 15.553 -3.310 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.485 -0.565 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.879 -1.590 1.048 1.00 0.00 H new ATOM 0 HG SER A 11 17.774 -0.934 -0.802 1.00 0.00 H new ATOM 151 N VAL A 12 13.276 -2.250 -1.375 1.00 0.00 N ATOM 152 CA VAL A 12 11.858 -1.978 -1.526 1.00 0.00 C ATOM 153 C VAL A 12 11.067 -3.268 -1.299 1.00 0.00 C ATOM 154 O VAL A 12 11.268 -4.255 -2.007 1.00 0.00 O ATOM 155 CB VAL A 12 11.588 -1.344 -2.892 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.772 -2.365 -4.016 1.00 0.00 C ATOM 157 CG2 VAL A 12 10.192 -0.720 -2.941 1.00 0.00 C ATOM 0 H VAL A 12 13.757 -2.498 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 12 11.527 -1.258 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 12 12.316 -0.547 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.574 -1.889 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.795 -2.742 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.078 -3.193 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.026 -0.276 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.443 -1.490 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.112 0.052 -2.176 1.00 0.00 H new ATOM 167 N LEU A 13 10.188 -3.221 -0.310 1.00 0.00 N ATOM 168 CA LEU A 13 9.368 -4.374 0.018 1.00 0.00 C ATOM 169 C LEU A 13 8.037 -4.278 -0.732 1.00 0.00 C ATOM 170 O LEU A 13 7.153 -3.518 -0.340 1.00 0.00 O ATOM 171 CB LEU A 13 9.211 -4.507 1.535 1.00 0.00 C ATOM 172 CG LEU A 13 9.907 -3.435 2.377 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.932 -2.320 2.760 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.581 -4.054 3.602 1.00 0.00 C ATOM 0 H LEU A 13 10.025 -2.402 0.276 1.00 0.00 H new ATOM 0 HA LEU A 13 9.854 -5.293 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.147 -4.494 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.593 -5.482 1.836 1.00 0.00 H new ATOM 0 HG LEU A 13 10.692 -2.981 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.452 -1.571 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.539 -1.854 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.109 -2.739 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.068 -3.271 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.831 -4.550 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.325 -4.782 3.279 1.00 0.00 H new ATOM 185 N CYS A 14 7.936 -5.061 -1.795 1.00 0.00 N ATOM 186 CA CYS A 14 6.728 -5.074 -2.603 1.00 0.00 C ATOM 187 C CYS A 14 5.670 -5.902 -1.872 1.00 0.00 C ATOM 188 O CYS A 14 5.948 -7.012 -1.421 1.00 0.00 O ATOM 189 CB CYS A 14 6.996 -5.606 -4.012 1.00 0.00 C ATOM 190 SG CYS A 14 8.744 -5.317 -4.469 1.00 0.00 S ATOM 0 H CYS A 14 8.671 -5.691 -2.116 1.00 0.00 H new ATOM 0 HA CYS A 14 6.364 -4.055 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.772 -6.672 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.338 -5.112 -4.727 1.00 0.00 H new ATOM 0 HG CYS A 14 9.053 -4.075 -4.239 1.00 0.00 H new ATOM 195 N ILE A 15 4.479 -5.331 -1.776 1.00 0.00 N ATOM 196 CA ILE A 15 3.378 -6.002 -1.107 1.00 0.00 C ATOM 197 C ILE A 15 2.223 -6.185 -2.094 1.00 0.00 C ATOM 198 O ILE A 15 1.363 -5.314 -2.216 1.00 0.00 O ATOM 199 CB ILE A 15 2.986 -5.250 0.166 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.854 -5.685 1.349 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.493 -5.412 0.462 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.341 -5.509 1.032 1.00 0.00 C ATOM 0 H ILE A 15 4.252 -4.410 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 15 3.680 -6.997 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 15 3.169 -4.188 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.594 -5.098 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.651 -6.729 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.241 -4.868 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.912 -5.015 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.261 -6.469 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.936 -5.825 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.603 -6.116 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.545 -4.460 0.816 1.00 0.00 H new ATOM 213 N ARG A 16 2.240 -7.323 -2.772 1.00 0.00 N ATOM 214 CA ARG A 16 1.205 -7.631 -3.744 1.00 0.00 C ATOM 215 C ARG A 16 0.027 -8.330 -3.061 1.00 0.00 C ATOM 216 O ARG A 16 0.090 -9.523 -2.774 1.00 0.00 O ATOM 217 CB ARG A 16 1.745 -8.530 -4.858 1.00 0.00 C ATOM 218 CG ARG A 16 1.845 -7.765 -6.180 1.00 0.00 C ATOM 219 CD ARG A 16 3.167 -8.065 -6.888 1.00 0.00 C ATOM 220 NE ARG A 16 3.128 -7.547 -8.274 1.00 0.00 N ATOM 221 CZ ARG A 16 2.559 -8.200 -9.310 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.977 -9.404 -9.124 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.582 -7.644 -10.507 1.00 0.00 N ATOM 0 H ARG A 16 2.955 -8.043 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 16 0.871 -6.690 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.727 -8.911 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.092 -9.394 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.012 -8.039 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.764 -6.694 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.993 -7.607 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.348 -9.140 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 16 3.558 -6.640 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.965 -9.827 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.549 -9.891 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.025 -6.735 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.157 -8.124 -11.300 1.00 0.00 H new ATOM 233 N LEU A 17 -1.021 -7.554 -2.822 1.00 0.00 N ATOM 234 CA LEU A 17 -2.212 -8.083 -2.179 1.00 0.00 C ATOM 235 C LEU A 17 -3.302 -8.297 -3.230 1.00 0.00 C ATOM 236 O LEU A 17 -3.659 -7.371 -3.956 1.00 0.00 O ATOM 237 CB LEU A 17 -2.642 -7.179 -1.022 1.00 0.00 C ATOM 238 CG LEU A 17 -3.974 -7.530 -0.356 1.00 0.00 C ATOM 239 CD1 LEU A 17 -5.152 -6.987 -1.166 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.087 -9.037 -0.118 1.00 0.00 C ATOM 0 H LEU A 17 -1.070 -6.564 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.004 -9.056 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.862 -7.200 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.701 -6.155 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.006 -7.047 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.086 -7.250 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.074 -5.902 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.137 -7.421 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.043 -9.260 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.024 -9.562 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.275 -9.365 0.531 1.00 0.00 H new ATOM 251 N THR A 18 -3.800 -9.523 -3.278 1.00 0.00 N ATOM 252 CA THR A 18 -4.842 -9.871 -4.229 1.00 0.00 C ATOM 253 C THR A 18 -6.020 -10.533 -3.511 1.00 0.00 C ATOM 254 O THR A 18 -5.905 -11.659 -3.029 1.00 0.00 O ATOM 255 CB THR A 18 -4.219 -10.752 -5.313 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.215 -11.493 -4.624 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.438 -9.943 -6.350 1.00 0.00 C ATOM 0 H THR A 18 -3.501 -10.288 -2.674 1.00 0.00 H new ATOM 0 HA THR A 18 -5.252 -8.982 -4.709 1.00 0.00 H new ATOM 0 HB THR A 18 -5.004 -11.320 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.449 -11.556 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.017 -10.617 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.107 -9.235 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.632 -9.400 -5.856 1.00 0.00 H new ATOM 265 N GLY A 19 -7.127 -9.805 -3.462 1.00 0.00 N ATOM 266 CA GLY A 19 -8.324 -10.307 -2.811 1.00 0.00 C ATOM 267 C GLY A 19 -9.298 -9.168 -2.500 1.00 0.00 C ATOM 268 O GLY A 19 -9.751 -8.470 -3.405 1.00 0.00 O ATOM 0 H GLY A 19 -7.219 -8.872 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.811 -11.041 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.053 -10.820 -1.888 1.00 0.00 H new ATOM 272 N GLU A 20 -9.590 -9.017 -1.216 1.00 0.00 N ATOM 273 CA GLU A 20 -10.501 -7.974 -0.774 1.00 0.00 C ATOM 274 C GLU A 20 -9.819 -7.076 0.259 1.00 0.00 C ATOM 275 O GLU A 20 -8.797 -7.449 0.833 1.00 0.00 O ATOM 276 CB GLU A 20 -11.790 -8.575 -0.212 1.00 0.00 C ATOM 277 CG GLU A 20 -12.942 -8.434 -1.210 1.00 0.00 C ATOM 278 CD GLU A 20 -13.294 -9.786 -1.835 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.449 -10.399 -2.505 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.495 -10.197 -1.603 1.00 0.00 O ATOM 0 H GLU A 20 -9.212 -9.599 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.769 -7.363 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.633 -9.628 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.050 -8.077 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.817 -8.024 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.665 -7.728 -1.993 1.00 0.00 H new ATOM 286 N LEU A 21 -10.411 -5.910 0.465 1.00 0.00 N ATOM 287 CA LEU A 21 -9.873 -4.955 1.421 1.00 0.00 C ATOM 288 C LEU A 21 -10.969 -4.559 2.412 1.00 0.00 C ATOM 289 O LEU A 21 -11.688 -3.586 2.192 1.00 0.00 O ATOM 290 CB LEU A 21 -9.244 -3.765 0.693 1.00 0.00 C ATOM 291 CG LEU A 21 -7.715 -3.726 0.670 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.130 -4.424 1.900 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.170 -4.312 -0.634 1.00 0.00 C ATOM 0 H LEU A 21 -11.258 -5.603 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.068 -5.408 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.603 -3.763 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.604 -2.848 1.159 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.400 -2.683 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.042 -4.382 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.479 -3.923 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.453 -5.465 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.081 -4.272 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.494 -5.348 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.546 -3.734 -1.478 1.00 0.00 H new ATOM 304 N ASP A 22 -11.062 -5.334 3.482 1.00 0.00 N ATOM 305 CA ASP A 22 -12.059 -5.076 4.508 1.00 0.00 C ATOM 306 C ASP A 22 -11.454 -5.362 5.884 1.00 0.00 C ATOM 307 O ASP A 22 -10.367 -5.930 5.982 1.00 0.00 O ATOM 308 CB ASP A 22 -13.279 -5.983 4.331 1.00 0.00 C ATOM 309 CG ASP A 22 -13.232 -6.899 3.107 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.650 -6.549 2.070 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.832 -8.032 3.251 1.00 0.00 O ATOM 0 H ASP A 22 -10.464 -6.141 3.661 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.368 -4.034 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.387 -6.600 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.170 -5.359 4.265 1.00 0.00 H new ATOM 316 N HIS A 23 -12.183 -4.955 6.912 1.00 0.00 N ATOM 317 CA HIS A 23 -11.732 -5.160 8.279 1.00 0.00 C ATOM 318 C HIS A 23 -11.266 -6.607 8.453 1.00 0.00 C ATOM 319 O HIS A 23 -10.569 -6.927 9.415 1.00 0.00 O ATOM 320 CB HIS A 23 -12.822 -4.764 9.276 1.00 0.00 C ATOM 321 CG HIS A 23 -13.736 -5.899 9.672 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.636 -6.551 10.888 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.765 -6.490 9.000 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.569 -7.492 10.935 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.266 -7.453 9.764 1.00 0.00 N ATOM 0 H HIS A 23 -13.084 -4.484 6.827 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.880 -4.513 8.486 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.351 -4.361 10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.421 -3.963 8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.113 -6.220 8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.746 -8.170 11.757 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.045 -8.063 9.516 1.00 0.00 H new ATOM 332 N HIS A 24 -11.671 -7.443 7.508 1.00 0.00 N ATOM 333 CA HIS A 24 -11.303 -8.848 7.545 1.00 0.00 C ATOM 334 C HIS A 24 -10.067 -9.079 6.674 1.00 0.00 C ATOM 335 O HIS A 24 -9.077 -9.647 7.132 1.00 0.00 O ATOM 336 CB HIS A 24 -12.487 -9.730 7.141 1.00 0.00 C ATOM 337 CG HIS A 24 -13.501 -9.938 8.240 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.214 -10.629 9.405 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.801 -9.538 8.340 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.300 -10.639 10.163 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.283 -9.963 9.501 1.00 0.00 N ATOM 0 H HIS A 24 -12.250 -7.174 6.712 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.043 -9.133 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.985 -9.281 6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.110 -10.701 6.820 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.319 -11.057 9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.346 -8.971 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.391 -11.101 11.135 1.00 0.00 H new ATOM 348 N THR A 25 -10.164 -8.626 5.432 1.00 0.00 N ATOM 349 CA THR A 25 -9.066 -8.775 4.492 1.00 0.00 C ATOM 350 C THR A 25 -8.005 -7.701 4.737 1.00 0.00 C ATOM 351 O THR A 25 -6.853 -7.858 4.335 1.00 0.00 O ATOM 352 CB THR A 25 -9.648 -8.745 3.078 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.975 -7.374 2.867 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.993 -9.469 2.982 1.00 0.00 C ATOM 0 H THR A 25 -10.987 -8.155 5.055 1.00 0.00 H new ATOM 0 HA THR A 25 -8.555 -9.728 4.628 1.00 0.00 H new ATOM 0 HB THR A 25 -8.941 -9.201 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.851 -7.310 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.362 -9.418 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.866 -10.513 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.711 -8.993 3.650 1.00 0.00 H new ATOM 362 N ALA A 26 -8.430 -6.633 5.396 1.00 0.00 N ATOM 363 CA ALA A 26 -7.531 -5.533 5.698 1.00 0.00 C ATOM 364 C ALA A 26 -6.635 -5.922 6.876 1.00 0.00 C ATOM 365 O ALA A 26 -5.629 -5.265 7.138 1.00 0.00 O ATOM 366 CB ALA A 26 -8.346 -4.269 5.978 1.00 0.00 C ATOM 0 H ALA A 26 -9.386 -6.506 5.729 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.884 -5.321 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.671 -3.444 6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.943 -4.019 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.006 -4.442 6.828 1.00 0.00 H new ATOM 372 N GLU A 27 -7.034 -6.988 7.554 1.00 0.00 N ATOM 373 CA GLU A 27 -6.280 -7.472 8.699 1.00 0.00 C ATOM 374 C GLU A 27 -4.876 -7.900 8.266 1.00 0.00 C ATOM 375 O GLU A 27 -3.888 -7.539 8.904 1.00 0.00 O ATOM 376 CB GLU A 27 -7.013 -8.621 9.393 1.00 0.00 C ATOM 377 CG GLU A 27 -7.245 -8.308 10.873 1.00 0.00 C ATOM 378 CD GLU A 27 -8.691 -7.875 11.122 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.624 -8.653 10.871 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.830 -6.683 11.595 1.00 0.00 O ATOM 0 H GLU A 27 -7.869 -7.530 7.333 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.186 -6.658 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.969 -8.797 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.432 -9.538 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.016 -9.188 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.565 -7.518 11.192 1.00 0.00 H new ATOM 386 N THR A 28 -4.831 -8.664 7.184 1.00 0.00 N ATOM 387 CA THR A 28 -3.566 -9.145 6.659 1.00 0.00 C ATOM 388 C THR A 28 -2.523 -8.026 6.673 1.00 0.00 C ATOM 389 O THR A 28 -1.396 -8.227 7.125 1.00 0.00 O ATOM 390 CB THR A 28 -3.820 -9.721 5.265 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.965 -10.860 5.198 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.309 -8.806 4.150 1.00 0.00 C ATOM 0 H THR A 28 -5.652 -8.962 6.657 1.00 0.00 H new ATOM 0 HA THR A 28 -3.155 -9.938 7.284 1.00 0.00 H new ATOM 0 HB THR A 28 -4.888 -9.892 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.504 -11.665 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.515 -9.262 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.813 -7.842 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.234 -8.661 4.262 1.00 0.00 H new ATOM 400 N LEU A 29 -2.934 -6.870 6.172 1.00 0.00 N ATOM 401 CA LEU A 29 -2.050 -5.719 6.120 1.00 0.00 C ATOM 402 C LEU A 29 -1.861 -5.163 7.533 1.00 0.00 C ATOM 403 O LEU A 29 -0.814 -4.600 7.847 1.00 0.00 O ATOM 404 CB LEU A 29 -2.571 -4.688 5.118 1.00 0.00 C ATOM 405 CG LEU A 29 -1.513 -3.999 4.253 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.483 -5.007 3.738 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.164 -3.212 3.113 1.00 0.00 C ATOM 0 H LEU A 29 -3.869 -6.706 5.798 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.065 -6.011 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.286 -5.180 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.118 -3.922 5.667 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.978 -3.282 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.257 -4.491 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.014 -5.484 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.985 -5.765 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.390 -2.732 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.740 -3.891 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.826 -2.451 3.527 1.00 0.00 H new ATOM 418 N LYS A 30 -2.892 -5.341 8.347 1.00 0.00 N ATOM 419 CA LYS A 30 -2.852 -4.864 9.719 1.00 0.00 C ATOM 420 C LYS A 30 -1.582 -5.379 10.398 1.00 0.00 C ATOM 421 O LYS A 30 -0.907 -4.635 11.107 1.00 0.00 O ATOM 422 CB LYS A 30 -4.140 -5.241 10.454 1.00 0.00 C ATOM 423 CG LYS A 30 -4.367 -4.333 11.663 1.00 0.00 C ATOM 424 CD LYS A 30 -3.342 -4.617 12.764 1.00 0.00 C ATOM 425 CE LYS A 30 -2.413 -3.419 12.970 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.991 -2.476 13.952 1.00 0.00 N ATOM 0 H LYS A 30 -3.759 -5.809 8.083 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.806 -3.775 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.987 -5.164 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.086 -6.280 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.297 -3.289 11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.374 -4.484 12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.858 -4.846 13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.754 -5.496 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.439 -3.763 13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.251 -2.910 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.347 -1.669 14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.910 -2.134 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.123 -2.961 14.863 1.00 0.00 H new ATOM 435 N GLN A 31 -1.295 -6.650 10.155 1.00 0.00 N ATOM 436 CA GLN A 31 -0.117 -7.274 10.735 1.00 0.00 C ATOM 437 C GLN A 31 1.139 -6.853 9.968 1.00 0.00 C ATOM 438 O GLN A 31 2.212 -6.721 10.553 1.00 0.00 O ATOM 439 CB GLN A 31 -0.260 -8.798 10.759 1.00 0.00 C ATOM 440 CG GLN A 31 -0.602 -9.338 9.369 1.00 0.00 C ATOM 441 CD GLN A 31 -0.445 -10.859 9.319 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.611 -11.409 9.588 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.549 -11.505 8.958 1.00 0.00 N ATOM 0 H GLN A 31 -1.857 -7.264 9.565 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.020 -6.934 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.668 -9.249 11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.039 -9.083 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.625 -9.066 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.048 -8.877 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.399 -10.983 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.546 -12.523 8.892 1.00 0.00 H new ATOM 450 N LYS A 32 0.962 -6.654 8.670 1.00 0.00 N ATOM 451 CA LYS A 32 2.066 -6.250 7.818 1.00 0.00 C ATOM 452 C LYS A 32 2.564 -4.871 8.253 1.00 0.00 C ATOM 453 O LYS A 32 3.627 -4.426 7.823 1.00 0.00 O ATOM 454 CB LYS A 32 1.660 -6.320 6.345 1.00 0.00 C ATOM 455 CG LYS A 32 2.851 -6.023 5.432 1.00 0.00 C ATOM 456 CD LYS A 32 3.934 -7.093 5.578 1.00 0.00 C ATOM 457 CE LYS A 32 5.284 -6.464 5.928 1.00 0.00 C ATOM 458 NZ LYS A 32 6.200 -7.481 6.489 1.00 0.00 N ATOM 0 H LYS A 32 0.070 -6.765 8.188 1.00 0.00 H new ATOM 0 HA LYS A 32 2.903 -6.940 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.263 -7.310 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.861 -5.605 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.517 -5.978 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.266 -5.045 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.647 -7.802 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.021 -7.656 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.727 -6.020 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.141 -5.658 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.161 -7.088 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.878 -7.751 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.206 -8.320 5.874 1.00 0.00 H new ATOM 467 N VAL A 33 1.772 -4.232 9.101 1.00 0.00 N ATOM 468 CA VAL A 33 2.118 -2.911 9.600 1.00 0.00 C ATOM 469 C VAL A 33 3.221 -3.042 10.652 1.00 0.00 C ATOM 470 O VAL A 33 4.270 -2.409 10.538 1.00 0.00 O ATOM 471 CB VAL A 33 0.868 -2.207 10.130 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.141 -0.725 10.390 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.312 -2.388 9.172 1.00 0.00 C ATOM 0 H VAL A 33 0.891 -4.604 9.456 1.00 0.00 H new ATOM 0 HA VAL A 33 2.508 -2.289 8.795 1.00 0.00 H new ATOM 0 HB VAL A 33 0.602 -2.670 11.080 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.236 -0.249 10.766 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.937 -0.626 11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.446 -0.243 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.188 -1.878 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.059 -1.965 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.530 -3.450 9.060 1.00 0.00 H new ATOM 483 N THR A 34 2.947 -3.867 11.652 1.00 0.00 N ATOM 484 CA THR A 34 3.904 -4.088 12.723 1.00 0.00 C ATOM 485 C THR A 34 5.258 -4.513 12.149 1.00 0.00 C ATOM 486 O THR A 34 6.304 -4.095 12.643 1.00 0.00 O ATOM 487 CB THR A 34 3.306 -5.114 13.687 1.00 0.00 C ATOM 488 OG1 THR A 34 4.427 -5.599 14.420 1.00 0.00 O ATOM 489 CG2 THR A 34 2.766 -6.351 12.967 1.00 0.00 C ATOM 0 H THR A 34 2.076 -4.390 11.743 1.00 0.00 H new ATOM 0 HA THR A 34 4.094 -3.170 13.279 1.00 0.00 H new ATOM 0 HB THR A 34 2.503 -4.648 14.258 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.128 -6.269 15.070 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.353 -7.046 13.698 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.984 -6.053 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.575 -6.836 12.421 1.00 0.00 H new ATOM 497 N GLN A 35 5.194 -5.339 11.115 1.00 0.00 N ATOM 498 CA GLN A 35 6.402 -5.824 10.469 1.00 0.00 C ATOM 499 C GLN A 35 7.184 -4.658 9.861 1.00 0.00 C ATOM 500 O GLN A 35 8.396 -4.554 10.049 1.00 0.00 O ATOM 501 CB GLN A 35 6.071 -6.875 9.407 1.00 0.00 C ATOM 502 CG GLN A 35 5.541 -8.158 10.051 1.00 0.00 C ATOM 503 CD GLN A 35 4.513 -8.841 9.147 1.00 0.00 C ATOM 504 OE1 GLN A 35 4.844 -9.564 8.223 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.250 -8.572 9.466 1.00 0.00 N ATOM 0 H GLN A 35 4.325 -5.685 10.709 1.00 0.00 H new ATOM 0 HA GLN A 35 7.028 -6.301 11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.328 -6.477 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.963 -7.099 8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.369 -8.840 10.246 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.086 -7.925 11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.043 -7.957 10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.489 -8.980 8.923 1.00 0.00 H new ATOM 512 N SER A 36 6.460 -3.810 9.145 1.00 0.00 N ATOM 513 CA SER A 36 7.071 -2.656 8.509 1.00 0.00 C ATOM 514 C SER A 36 7.357 -1.574 9.552 1.00 0.00 C ATOM 515 O SER A 36 8.226 -0.726 9.350 1.00 0.00 O ATOM 516 CB SER A 36 6.176 -2.100 7.400 1.00 0.00 C ATOM 517 OG SER A 36 6.923 -1.749 6.236 1.00 0.00 O ATOM 0 H SER A 36 5.456 -3.900 8.991 1.00 0.00 H new ATOM 0 HA SER A 36 8.010 -2.973 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.422 -2.842 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.645 -1.222 7.768 1.00 0.00 H new ATOM 0 HG SER A 36 6.316 -1.400 5.551 1.00 0.00 H new ATOM 522 N LEU A 37 6.610 -1.638 10.644 1.00 0.00 N ATOM 523 CA LEU A 37 6.772 -0.673 11.719 1.00 0.00 C ATOM 524 C LEU A 37 8.250 -0.597 12.111 1.00 0.00 C ATOM 525 O LEU A 37 8.743 0.468 12.479 1.00 0.00 O ATOM 526 CB LEU A 37 5.843 -1.011 12.887 1.00 0.00 C ATOM 527 CG LEU A 37 4.776 0.033 13.219 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.397 1.424 13.367 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.651 0.015 12.182 1.00 0.00 C ATOM 0 H LEU A 37 5.891 -2.343 10.808 1.00 0.00 H new ATOM 0 HA LEU A 37 6.478 0.322 11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.344 -1.955 12.667 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.453 -1.173 13.776 1.00 0.00 H new ATOM 0 HG LEU A 37 4.332 -0.225 14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.617 2.148 13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.134 1.410 14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.883 1.707 12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.905 0.767 12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.061 0.235 11.196 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.184 -0.970 12.169 1.00 0.00 H new ATOM 540 N GLU A 38 8.913 -1.740 12.018 1.00 0.00 N ATOM 541 CA GLU A 38 10.324 -1.815 12.358 1.00 0.00 C ATOM 542 C GLU A 38 10.928 -3.117 11.828 1.00 0.00 C ATOM 543 O GLU A 38 11.164 -4.053 12.591 1.00 0.00 O ATOM 544 CB GLU A 38 10.531 -1.690 13.869 1.00 0.00 C ATOM 545 CG GLU A 38 11.053 -0.299 14.237 1.00 0.00 C ATOM 546 CD GLU A 38 12.578 -0.240 14.131 1.00 0.00 C ATOM 547 OE1 GLU A 38 13.233 -1.288 14.023 1.00 0.00 O ATOM 548 OE2 GLU A 38 13.081 0.947 14.162 1.00 0.00 O ATOM 0 H GLU A 38 8.500 -2.621 11.712 1.00 0.00 H new ATOM 0 HA GLU A 38 10.838 -0.979 11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.590 -1.878 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.237 -2.449 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.610 0.446 13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.745 -0.048 15.252 1.00 0.00 H new ATOM 554 N LYS A 39 11.164 -3.135 10.525 1.00 0.00 N ATOM 555 CA LYS A 39 11.737 -4.306 9.883 1.00 0.00 C ATOM 556 C LYS A 39 13.197 -4.455 10.316 1.00 0.00 C ATOM 557 O LYS A 39 13.631 -5.547 10.683 1.00 0.00 O ATOM 558 CB LYS A 39 11.549 -4.232 8.367 1.00 0.00 C ATOM 559 CG LYS A 39 11.408 -5.631 7.763 1.00 0.00 C ATOM 560 CD LYS A 39 11.379 -5.569 6.235 1.00 0.00 C ATOM 561 CE LYS A 39 12.694 -5.017 5.682 1.00 0.00 C ATOM 562 NZ LYS A 39 13.076 -5.731 4.444 1.00 0.00 N ATOM 0 H LYS A 39 10.969 -2.357 9.895 1.00 0.00 H new ATOM 0 HA LYS A 39 11.216 -5.209 10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.663 -3.641 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.400 -3.721 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.239 -6.257 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.494 -6.098 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.200 -6.565 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.551 -4.940 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.590 -3.951 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.482 -5.123 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.079 -6.000 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.493 -6.586 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.924 -5.110 3.624 1.00 0.00 H new ATOM 571 N ASP A 40 13.916 -3.343 10.257 1.00 0.00 N ATOM 572 CA ASP A 40 15.317 -3.337 10.637 1.00 0.00 C ATOM 573 C ASP A 40 15.969 -2.044 10.144 1.00 0.00 C ATOM 574 O ASP A 40 15.961 -1.034 10.846 1.00 0.00 O ATOM 575 CB ASP A 40 16.065 -4.514 10.006 1.00 0.00 C ATOM 576 CG ASP A 40 16.176 -5.757 10.890 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.605 -5.680 12.051 1.00 0.00 O ATOM 578 OD2 ASP A 40 15.797 -6.858 10.333 1.00 0.00 O ATOM 0 H ASP A 40 13.553 -2.440 9.951 1.00 0.00 H new ATOM 0 HA ASP A 40 15.372 -3.416 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.562 -4.790 9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.069 -4.186 9.739 1.00 0.00 H new ATOM 583 N ASP A 41 16.519 -2.117 8.940 1.00 0.00 N ATOM 584 CA ASP A 41 17.174 -0.965 8.346 1.00 0.00 C ATOM 585 C ASP A 41 16.114 -0.003 7.805 1.00 0.00 C ATOM 586 O ASP A 41 15.076 0.200 8.434 1.00 0.00 O ATOM 587 CB ASP A 41 18.071 -1.382 7.179 1.00 0.00 C ATOM 588 CG ASP A 41 19.219 -0.420 6.870 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.593 -0.225 5.703 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.745 0.152 7.900 1.00 0.00 O ATOM 0 H ASP A 41 16.524 -2.956 8.361 1.00 0.00 H new ATOM 0 HA ASP A 41 17.781 -0.489 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.489 -2.365 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.455 -1.487 6.286 1.00 0.00 H new ATOM 595 N ILE A 42 16.411 0.563 6.645 1.00 0.00 N ATOM 596 CA ILE A 42 15.496 1.498 6.012 1.00 0.00 C ATOM 597 C ILE A 42 15.205 1.034 4.584 1.00 0.00 C ATOM 598 O ILE A 42 15.825 1.511 3.635 1.00 0.00 O ATOM 599 CB ILE A 42 16.044 2.924 6.097 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.526 3.638 7.347 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.733 3.707 4.820 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.053 3.309 7.596 1.00 0.00 C ATOM 0 H ILE A 42 17.273 0.392 6.126 1.00 0.00 H new ATOM 0 HA ILE A 42 14.543 1.516 6.541 1.00 0.00 H new ATOM 0 HB ILE A 42 17.129 2.868 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.120 3.341 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.647 4.715 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.133 4.717 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.190 3.207 3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.654 3.755 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.710 3.829 8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.459 3.629 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.939 2.234 7.736 1.00 0.00 H new ATOM 613 N ARG A 43 14.263 0.109 4.476 1.00 0.00 N ATOM 614 CA ARG A 43 13.883 -0.425 3.179 1.00 0.00 C ATOM 615 C ARG A 43 12.883 0.508 2.493 1.00 0.00 C ATOM 616 O ARG A 43 12.702 1.649 2.917 1.00 0.00 O ATOM 617 CB ARG A 43 13.262 -1.816 3.317 1.00 0.00 C ATOM 618 CG ARG A 43 14.304 -2.909 3.077 1.00 0.00 C ATOM 619 CD ARG A 43 15.672 -2.491 3.621 1.00 0.00 C ATOM 620 NE ARG A 43 16.368 -3.665 4.193 1.00 0.00 N ATOM 621 CZ ARG A 43 17.213 -4.457 3.498 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.473 -4.206 2.197 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.781 -5.479 4.110 1.00 0.00 N ATOM 0 H ARG A 43 13.751 -0.285 5.266 1.00 0.00 H new ATOM 0 HA ARG A 43 14.786 -0.502 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.834 -1.930 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.445 -1.925 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.984 -3.833 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.381 -3.115 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.272 -2.055 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.550 -1.722 4.384 1.00 0.00 H new ATOM 0 HE ARG A 43 16.199 -3.890 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.030 -3.413 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.112 -4.809 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.579 -5.661 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.422 -6.087 3.600 1.00 0.00 H new ATOM 633 N HIS A 44 12.260 -0.012 1.446 1.00 0.00 N ATOM 634 CA HIS A 44 11.282 0.760 0.698 1.00 0.00 C ATOM 635 C HIS A 44 9.983 -0.038 0.575 1.00 0.00 C ATOM 636 O HIS A 44 9.982 -1.258 0.733 1.00 0.00 O ATOM 637 CB HIS A 44 11.848 1.184 -0.659 1.00 0.00 C ATOM 638 CG HIS A 44 12.936 2.229 -0.572 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.808 3.383 0.181 1.00 0.00 N ATOM 640 CD2 HIS A 44 14.170 2.280 -1.150 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.921 4.091 0.054 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.764 3.406 -0.772 1.00 0.00 N ATOM 0 H HIS A 44 12.413 -0.958 1.098 1.00 0.00 H new ATOM 0 HA HIS A 44 11.052 1.680 1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.243 0.304 -1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.036 1.570 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.593 1.532 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.125 5.043 0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.697 3.709 -1.053 1.00 0.00 H new ATOM 649 N ILE A 45 8.908 0.684 0.296 1.00 0.00 N ATOM 650 CA ILE A 45 7.604 0.058 0.150 1.00 0.00 C ATOM 651 C ILE A 45 7.250 -0.033 -1.336 1.00 0.00 C ATOM 652 O ILE A 45 7.781 0.719 -2.152 1.00 0.00 O ATOM 653 CB ILE A 45 6.558 0.798 0.987 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.735 1.751 0.118 1.00 0.00 C ATOM 655 CG2 ILE A 45 7.211 1.518 2.168 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.617 2.445 -0.922 1.00 0.00 C ATOM 0 H ILE A 45 8.913 1.696 0.167 1.00 0.00 H new ATOM 0 HA ILE A 45 7.625 -0.961 0.536 1.00 0.00 H new ATOM 0 HB ILE A 45 5.868 0.062 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.942 1.197 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.253 2.498 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.446 2.036 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.716 0.791 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.937 2.241 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.007 3.117 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.395 3.017 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.078 1.696 -1.566 1.00 0.00 H new ATOM 667 N VAL A 46 6.354 -0.960 -1.642 1.00 0.00 N ATOM 668 CA VAL A 46 5.924 -1.159 -3.016 1.00 0.00 C ATOM 669 C VAL A 46 4.571 -1.873 -3.022 1.00 0.00 C ATOM 670 O VAL A 46 4.510 -3.095 -3.150 1.00 0.00 O ATOM 671 CB VAL A 46 7.001 -1.913 -3.799 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.373 -2.889 -4.796 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.948 -0.941 -4.505 1.00 0.00 C ATOM 0 H VAL A 46 5.914 -1.581 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 46 5.790 -0.200 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 46 7.587 -2.494 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.161 -3.411 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.760 -3.613 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.750 -2.338 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.704 -1.503 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.381 -0.321 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.435 -0.305 -3.765 1.00 0.00 H new ATOM 683 N LEU A 47 3.518 -1.080 -2.884 1.00 0.00 N ATOM 684 CA LEU A 47 2.170 -1.621 -2.871 1.00 0.00 C ATOM 685 C LEU A 47 1.689 -1.811 -4.312 1.00 0.00 C ATOM 686 O LEU A 47 2.138 -1.111 -5.217 1.00 0.00 O ATOM 687 CB LEU A 47 1.247 -0.741 -2.026 1.00 0.00 C ATOM 688 CG LEU A 47 1.455 -0.813 -0.512 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.264 -2.241 0.001 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.818 -0.241 -0.118 1.00 0.00 C ATOM 0 H LEU A 47 3.572 -0.067 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 47 2.157 -2.602 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.375 0.294 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.215 -1.016 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 47 0.695 -0.195 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.418 -2.264 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.253 -2.578 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.985 -2.901 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.940 -0.304 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.607 -0.812 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.879 0.802 -0.430 1.00 0.00 H new ATOM 701 N ASN A 48 0.780 -2.761 -4.478 1.00 0.00 N ATOM 702 CA ASN A 48 0.233 -3.052 -5.793 1.00 0.00 C ATOM 703 C ASN A 48 -0.845 -4.130 -5.665 1.00 0.00 C ATOM 704 O ASN A 48 -0.535 -5.298 -5.432 1.00 0.00 O ATOM 705 CB ASN A 48 1.317 -3.577 -6.736 1.00 0.00 C ATOM 706 CG ASN A 48 0.698 -4.275 -7.948 1.00 0.00 C ATOM 707 OD1 ASN A 48 0.640 -3.742 -9.043 1.00 0.00 O ATOM 708 ND2 ASN A 48 0.239 -5.498 -7.691 1.00 0.00 N ATOM 0 H ASN A 48 0.409 -3.339 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.181 -2.129 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.945 -2.751 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.963 -4.273 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.193 -6.047 -8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.319 -5.886 -6.751 1.00 0.00 H new ATOM 714 N LEU A 49 -2.088 -3.700 -5.822 1.00 0.00 N ATOM 715 CA LEU A 49 -3.213 -4.614 -5.726 1.00 0.00 C ATOM 716 C LEU A 49 -3.652 -5.024 -7.134 1.00 0.00 C ATOM 717 O LEU A 49 -3.986 -4.173 -7.956 1.00 0.00 O ATOM 718 CB LEU A 49 -4.335 -3.998 -4.888 1.00 0.00 C ATOM 719 CG LEU A 49 -4.600 -4.658 -3.534 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.615 -3.617 -2.412 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.887 -5.483 -3.567 1.00 0.00 C ATOM 0 H LEU A 49 -2.341 -2.731 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.920 -5.525 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.100 -2.947 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.256 -4.028 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.782 -5.348 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.805 -4.111 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.650 -3.111 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.400 -2.886 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.051 -5.941 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.729 -4.834 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.800 -6.263 -4.324 1.00 0.00 H new ATOM 732 N GLU A 50 -3.637 -6.329 -7.367 1.00 0.00 N ATOM 733 CA GLU A 50 -4.029 -6.862 -8.661 1.00 0.00 C ATOM 734 C GLU A 50 -5.483 -7.336 -8.621 1.00 0.00 C ATOM 735 O GLU A 50 -6.140 -7.422 -9.657 1.00 0.00 O ATOM 736 CB GLU A 50 -3.095 -7.994 -9.093 1.00 0.00 C ATOM 737 CG GLU A 50 -2.482 -7.706 -10.465 1.00 0.00 C ATOM 738 CD GLU A 50 -3.390 -8.213 -11.589 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.474 -9.429 -11.816 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.023 -7.294 -12.234 1.00 0.00 O ATOM 0 H GLU A 50 -3.360 -7.032 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.947 -6.065 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.302 -8.118 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.648 -8.933 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.322 -6.634 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.505 -8.184 -10.538 1.00 0.00 H new ATOM 746 N ASP A 51 -5.943 -7.630 -7.414 1.00 0.00 N ATOM 747 CA ASP A 51 -7.307 -8.093 -7.226 1.00 0.00 C ATOM 748 C ASP A 51 -8.038 -7.140 -6.278 1.00 0.00 C ATOM 749 O ASP A 51 -8.406 -7.524 -5.168 1.00 0.00 O ATOM 750 CB ASP A 51 -7.334 -9.491 -6.604 1.00 0.00 C ATOM 751 CG ASP A 51 -8.731 -10.062 -6.357 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.325 -9.857 -5.288 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.219 -10.753 -7.331 1.00 0.00 O ATOM 0 H ASP A 51 -5.395 -7.557 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.790 -8.124 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.789 -10.173 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.797 -9.461 -5.656 1.00 0.00 H new ATOM 758 N LEU A 52 -8.226 -5.916 -6.750 1.00 0.00 N ATOM 759 CA LEU A 52 -8.906 -4.906 -5.958 1.00 0.00 C ATOM 760 C LEU A 52 -10.383 -4.860 -6.356 1.00 0.00 C ATOM 761 O LEU A 52 -10.714 -4.482 -7.479 1.00 0.00 O ATOM 762 CB LEU A 52 -8.194 -3.558 -6.081 1.00 0.00 C ATOM 763 CG LEU A 52 -8.335 -2.612 -4.887 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.791 -2.523 -4.427 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.398 -3.021 -3.750 1.00 0.00 C ATOM 0 H LEU A 52 -7.919 -5.601 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.868 -5.164 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.133 -3.744 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.572 -3.050 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.037 -1.613 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.863 -1.844 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.408 -2.149 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.140 -3.512 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.518 -2.332 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.641 -4.033 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.366 -2.990 -4.100 1.00 0.00 H new ATOM 776 N SER A 53 -11.230 -5.248 -5.415 1.00 0.00 N ATOM 777 CA SER A 53 -12.664 -5.256 -5.654 1.00 0.00 C ATOM 778 C SER A 53 -13.386 -4.521 -4.524 1.00 0.00 C ATOM 779 O SER A 53 -13.620 -3.317 -4.612 1.00 0.00 O ATOM 780 CB SER A 53 -13.193 -6.686 -5.782 1.00 0.00 C ATOM 781 OG SER A 53 -14.617 -6.733 -5.742 1.00 0.00 O ATOM 0 H SER A 53 -10.951 -5.560 -4.485 1.00 0.00 H new ATOM 0 HA SER A 53 -12.857 -4.741 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.842 -7.120 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.787 -7.297 -4.975 1.00 0.00 H new ATOM 0 HG SER A 53 -14.916 -7.662 -5.828 1.00 0.00 H new ATOM 786 N PHE A 54 -13.721 -5.277 -3.488 1.00 0.00 N ATOM 787 CA PHE A 54 -14.413 -4.713 -2.343 1.00 0.00 C ATOM 788 C PHE A 54 -13.739 -3.419 -1.877 1.00 0.00 C ATOM 789 O PHE A 54 -14.260 -2.329 -2.103 1.00 0.00 O ATOM 790 CB PHE A 54 -14.335 -5.747 -1.218 1.00 0.00 C ATOM 791 CG PHE A 54 -14.834 -5.235 0.135 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.153 -5.324 0.450 1.00 0.00 C ATOM 793 CD2 PHE A 54 -13.957 -4.692 1.022 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.616 -4.849 1.705 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.420 -4.218 2.277 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.740 -4.306 2.593 1.00 0.00 C ATOM 0 H PHE A 54 -13.525 -6.276 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.444 -4.479 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.920 -6.622 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.301 -6.075 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.849 -5.756 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.909 -4.622 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.664 -4.919 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.724 -3.787 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.092 -3.945 3.548 1.00 0.00 H new ATOM 805 N MET A 55 -12.592 -3.585 -1.237 1.00 0.00 N ATOM 806 CA MET A 55 -11.842 -2.445 -0.738 1.00 0.00 C ATOM 807 C MET A 55 -12.782 -1.333 -0.270 1.00 0.00 C ATOM 808 O MET A 55 -13.123 -0.437 -1.040 1.00 0.00 O ATOM 809 CB MET A 55 -10.930 -1.910 -1.844 1.00 0.00 C ATOM 810 CG MET A 55 -10.744 -0.397 -1.718 1.00 0.00 C ATOM 811 SD MET A 55 -11.431 0.424 -3.146 1.00 0.00 S ATOM 812 CE MET A 55 -12.899 -0.560 -3.394 1.00 0.00 C ATOM 0 H MET A 55 -12.163 -4.492 -1.052 1.00 0.00 H new ATOM 0 HA MET A 55 -11.244 -2.772 0.113 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.960 -2.405 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.357 -2.148 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.231 -0.037 -0.812 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.684 -0.159 -1.626 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.305 -0.364 -4.386 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.647 -1.617 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.642 -0.301 -2.640 1.00 0.00 H new ATOM 820 N ASP A 56 -13.176 -1.427 0.992 1.00 0.00 N ATOM 821 CA ASP A 56 -14.070 -0.440 1.573 1.00 0.00 C ATOM 822 C ASP A 56 -13.256 0.549 2.411 1.00 0.00 C ATOM 823 O ASP A 56 -12.110 0.850 2.083 1.00 0.00 O ATOM 824 CB ASP A 56 -15.100 -1.102 2.490 1.00 0.00 C ATOM 825 CG ASP A 56 -16.439 -0.368 2.595 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.764 0.222 3.636 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.173 -0.418 1.535 1.00 0.00 O ATOM 0 H ASP A 56 -12.892 -2.172 1.628 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.587 0.068 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.285 -2.115 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.672 -1.190 3.488 1.00 0.00 H new ATOM 832 N SER A 57 -13.882 1.026 3.478 1.00 0.00 N ATOM 833 CA SER A 57 -13.231 1.974 4.365 1.00 0.00 C ATOM 834 C SER A 57 -12.585 1.234 5.539 1.00 0.00 C ATOM 835 O SER A 57 -12.181 1.853 6.521 1.00 0.00 O ATOM 836 CB SER A 57 -14.223 3.019 4.878 1.00 0.00 C ATOM 837 OG SER A 57 -15.075 2.494 5.893 1.00 0.00 O ATOM 0 H SER A 57 -14.833 0.773 3.747 1.00 0.00 H new ATOM 0 HA SER A 57 -12.457 2.494 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.676 3.876 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.829 3.382 4.048 1.00 0.00 H new ATOM 0 HG SER A 57 -15.692 3.192 6.195 1.00 0.00 H new ATOM 842 N SER A 58 -12.508 -0.082 5.397 1.00 0.00 N ATOM 843 CA SER A 58 -11.919 -0.913 6.432 1.00 0.00 C ATOM 844 C SER A 58 -10.392 -0.849 6.349 1.00 0.00 C ATOM 845 O SER A 58 -9.733 -0.419 7.294 1.00 0.00 O ATOM 846 CB SER A 58 -12.397 -2.361 6.315 1.00 0.00 C ATOM 847 OG SER A 58 -13.507 -2.486 5.431 1.00 0.00 O ATOM 0 H SER A 58 -12.844 -0.592 4.580 1.00 0.00 H new ATOM 0 HA SER A 58 -12.240 -0.531 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.578 -2.986 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.675 -2.732 7.301 1.00 0.00 H new ATOM 0 HG SER A 58 -14.149 -3.127 5.801 1.00 0.00 H new ATOM 852 N GLY A 59 -9.876 -1.283 5.209 1.00 0.00 N ATOM 853 CA GLY A 59 -8.440 -1.280 4.990 1.00 0.00 C ATOM 854 C GLY A 59 -7.941 0.122 4.636 1.00 0.00 C ATOM 855 O GLY A 59 -6.751 0.412 4.759 1.00 0.00 O ATOM 0 H GLY A 59 -10.426 -1.639 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.931 -1.635 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.190 -1.972 4.186 1.00 0.00 H new ATOM 859 N LEU A 60 -8.875 0.956 4.204 1.00 0.00 N ATOM 860 CA LEU A 60 -8.546 2.322 3.833 1.00 0.00 C ATOM 861 C LEU A 60 -7.734 2.970 4.956 1.00 0.00 C ATOM 862 O LEU A 60 -6.733 3.638 4.697 1.00 0.00 O ATOM 863 CB LEU A 60 -9.813 3.098 3.463 1.00 0.00 C ATOM 864 CG LEU A 60 -9.697 4.037 2.261 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.052 5.364 2.663 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.952 3.362 1.107 1.00 0.00 C ATOM 0 H LEU A 60 -9.860 0.712 4.102 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.921 2.333 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.609 2.381 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.122 3.684 4.328 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.702 4.263 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.981 6.013 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.661 5.848 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.054 5.178 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.884 4.051 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.949 3.087 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.492 2.467 0.800 1.00 0.00 H new ATOM 877 N GLY A 61 -8.194 2.750 6.178 1.00 0.00 N ATOM 878 CA GLY A 61 -7.523 3.304 7.342 1.00 0.00 C ATOM 879 C GLY A 61 -6.294 2.473 7.714 1.00 0.00 C ATOM 880 O GLY A 61 -5.305 3.009 8.212 1.00 0.00 O ATOM 0 H GLY A 61 -9.024 2.195 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.223 4.332 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.214 3.335 8.184 1.00 0.00 H new ATOM 884 N VAL A 62 -6.396 1.177 7.457 1.00 0.00 N ATOM 885 CA VAL A 62 -5.304 0.266 7.759 1.00 0.00 C ATOM 886 C VAL A 62 -4.104 0.605 6.874 1.00 0.00 C ATOM 887 O VAL A 62 -2.964 0.301 7.225 1.00 0.00 O ATOM 888 CB VAL A 62 -5.773 -1.182 7.601 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.174 -1.818 6.346 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.439 -2.005 8.847 1.00 0.00 C ATOM 0 H VAL A 62 -7.217 0.736 7.043 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.986 0.380 8.795 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.857 -1.173 7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.523 -2.847 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.485 -1.252 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.086 -1.809 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.783 -3.030 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.361 -2.002 9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.935 -1.570 9.714 1.00 0.00 H new ATOM 900 N ILE A 63 -4.399 1.230 5.744 1.00 0.00 N ATOM 901 CA ILE A 63 -3.358 1.614 4.806 1.00 0.00 C ATOM 902 C ILE A 63 -2.843 3.010 5.165 1.00 0.00 C ATOM 903 O ILE A 63 -1.659 3.299 5.003 1.00 0.00 O ATOM 904 CB ILE A 63 -3.863 1.496 3.367 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.633 0.087 2.818 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.234 2.568 2.474 1.00 0.00 C ATOM 907 CD1 ILE A 63 -4.961 -0.635 2.583 1.00 0.00 C ATOM 0 H ILE A 63 -5.345 1.480 5.456 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.510 0.933 4.878 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.939 1.669 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.076 0.144 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.023 -0.485 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.610 2.461 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.493 3.556 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.150 2.451 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.768 -1.634 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.505 -0.712 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.558 -0.074 1.864 1.00 0.00 H new ATOM 918 N LEU A 64 -3.759 3.838 5.644 1.00 0.00 N ATOM 919 CA LEU A 64 -3.413 5.196 6.027 1.00 0.00 C ATOM 920 C LEU A 64 -2.500 5.158 7.255 1.00 0.00 C ATOM 921 O LEU A 64 -1.483 5.848 7.297 1.00 0.00 O ATOM 922 CB LEU A 64 -4.677 6.035 6.226 1.00 0.00 C ATOM 923 CG LEU A 64 -4.708 7.382 5.502 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.535 7.295 4.218 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.206 8.493 6.430 1.00 0.00 C ATOM 0 H LEU A 64 -4.741 3.595 5.776 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.855 5.687 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.534 5.448 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.805 6.215 7.293 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.689 7.637 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.541 8.266 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.097 6.551 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.557 7.006 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.218 9.440 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.214 8.257 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.541 8.574 7.290 1.00 0.00 H new ATOM 936 N GLY A 65 -2.897 4.346 8.223 1.00 0.00 N ATOM 937 CA GLY A 65 -2.127 4.209 9.447 1.00 0.00 C ATOM 938 C GLY A 65 -0.757 3.588 9.167 1.00 0.00 C ATOM 939 O GLY A 65 0.104 3.555 10.045 1.00 0.00 O ATOM 0 H GLY A 65 -3.742 3.776 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.999 5.187 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.673 3.588 10.157 1.00 0.00 H new ATOM 943 N ARG A 66 -0.599 3.110 7.942 1.00 0.00 N ATOM 944 CA ARG A 66 0.652 2.491 7.536 1.00 0.00 C ATOM 945 C ARG A 66 1.494 3.480 6.726 1.00 0.00 C ATOM 946 O ARG A 66 2.721 3.465 6.804 1.00 0.00 O ATOM 947 CB ARG A 66 0.398 1.238 6.695 1.00 0.00 C ATOM 948 CG ARG A 66 0.947 -0.008 7.391 1.00 0.00 C ATOM 949 CD ARG A 66 1.061 -1.178 6.412 1.00 0.00 C ATOM 950 NE ARG A 66 1.884 -0.786 5.247 1.00 0.00 N ATOM 951 CZ ARG A 66 2.140 -1.590 4.194 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.637 -2.843 4.152 1.00 0.00 N ATOM 953 NH2 ARG A 66 2.890 -1.136 3.208 1.00 0.00 N ATOM 0 H ARG A 66 -1.316 3.139 7.217 1.00 0.00 H new ATOM 0 HA ARG A 66 1.191 2.205 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.672 1.121 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.868 1.350 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.926 0.211 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.294 -0.284 8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.509 -2.038 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.069 -1.483 6.080 1.00 0.00 H new ATOM 0 HE ARG A 66 2.284 0.152 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.060 -3.187 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.835 -3.445 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.267 -0.189 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.092 -1.732 2.405 1.00 0.00 H new ATOM 963 N TYR A 67 0.800 4.314 5.966 1.00 0.00 N ATOM 964 CA TYR A 67 1.469 5.307 5.142 1.00 0.00 C ATOM 965 C TYR A 67 2.402 6.180 5.984 1.00 0.00 C ATOM 966 O TYR A 67 3.465 6.587 5.517 1.00 0.00 O ATOM 967 CB TYR A 67 0.360 6.185 4.556 1.00 0.00 C ATOM 968 CG TYR A 67 0.654 6.700 3.145 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.350 5.919 2.049 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.224 7.945 2.971 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.627 6.404 0.721 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.500 8.430 1.643 1.00 0.00 C ATOM 973 CZ TYR A 67 1.188 7.635 0.584 1.00 0.00 C ATOM 974 OH TYR A 67 1.450 8.093 -0.670 1.00 0.00 O ATOM 0 H TYR A 67 -0.218 4.323 5.903 1.00 0.00 H new ATOM 0 HA TYR A 67 2.071 4.824 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.569 5.615 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.198 7.037 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.095 4.945 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.463 8.555 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.394 5.803 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.944 9.403 1.491 1.00 0.00 H new ATOM 0 HH TYR A 67 2.122 7.520 -1.094 1.00 0.00 H new ATOM 983 N LYS A 68 1.971 6.440 7.209 1.00 0.00 N ATOM 984 CA LYS A 68 2.755 7.257 8.120 1.00 0.00 C ATOM 985 C LYS A 68 3.720 6.362 8.899 1.00 0.00 C ATOM 986 O LYS A 68 4.769 6.818 9.351 1.00 0.00 O ATOM 987 CB LYS A 68 1.838 8.095 9.013 1.00 0.00 C ATOM 988 CG LYS A 68 0.620 8.593 8.233 1.00 0.00 C ATOM 989 CD LYS A 68 1.002 9.735 7.289 1.00 0.00 C ATOM 990 CE LYS A 68 0.966 11.082 8.013 1.00 0.00 C ATOM 991 NZ LYS A 68 -0.352 11.290 8.654 1.00 0.00 N ATOM 0 H LYS A 68 1.089 6.100 7.592 1.00 0.00 H new ATOM 0 HA LYS A 68 3.361 7.972 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.510 7.499 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.391 8.945 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.190 7.771 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.148 8.933 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.000 9.561 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.317 9.755 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.753 11.118 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.164 11.887 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.743 12.206 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.000 10.528 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.240 11.283 9.688 1.00 0.00 H new ATOM 1000 N GLN A 69 3.332 5.101 9.031 1.00 0.00 N ATOM 1001 CA GLN A 69 4.150 4.138 9.748 1.00 0.00 C ATOM 1002 C GLN A 69 5.049 3.376 8.772 1.00 0.00 C ATOM 1003 O GLN A 69 5.942 2.640 9.191 1.00 0.00 O ATOM 1004 CB GLN A 69 3.279 3.174 10.557 1.00 0.00 C ATOM 1005 CG GLN A 69 3.531 3.337 12.058 1.00 0.00 C ATOM 1006 CD GLN A 69 2.608 4.401 12.657 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.527 4.118 13.146 1.00 0.00 O ATOM 1008 NE2 GLN A 69 3.094 5.637 12.591 1.00 0.00 N ATOM 0 H GLN A 69 2.462 4.725 8.653 1.00 0.00 H new ATOM 0 HA GLN A 69 4.784 4.679 10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.227 3.358 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.492 2.148 10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.370 2.385 12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.571 3.616 12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.007 5.804 12.168 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.554 6.418 12.963 1.00 0.00 H new ATOM 1090 N GLY A 75 11.044 4.735 3.999 1.00 0.00 N ATOM 1091 CA GLY A 75 11.605 5.787 3.167 1.00 0.00 C ATOM 1092 C GLY A 75 10.507 6.518 2.393 1.00 0.00 C ATOM 1093 O GLY A 75 10.342 7.728 2.538 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.150 6.497 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.324 5.359 2.468 1.00 0.00 H new ATOM 1097 N GLU A 76 9.784 5.753 1.588 1.00 0.00 N ATOM 1098 CA GLU A 76 8.707 6.314 0.792 1.00 0.00 C ATOM 1099 C GLU A 76 7.553 5.314 0.681 1.00 0.00 C ATOM 1100 O GLU A 76 7.775 4.105 0.662 1.00 0.00 O ATOM 1101 CB GLU A 76 9.207 6.729 -0.593 1.00 0.00 C ATOM 1102 CG GLU A 76 10.581 7.395 -0.503 1.00 0.00 C ATOM 1103 CD GLU A 76 10.462 8.829 0.018 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.224 9.228 0.912 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.539 9.537 -0.538 1.00 0.00 O ATOM 0 H GLU A 76 9.923 4.749 1.470 1.00 0.00 H new ATOM 0 HA GLU A 76 8.340 7.210 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.265 5.854 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.495 7.416 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.227 6.817 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.052 7.399 -1.486 1.00 0.00 H new ATOM 1111 N MET A 77 6.346 5.857 0.612 1.00 0.00 N ATOM 1112 CA MET A 77 5.158 5.029 0.504 1.00 0.00 C ATOM 1113 C MET A 77 4.553 5.118 -0.899 1.00 0.00 C ATOM 1114 O MET A 77 4.270 6.210 -1.389 1.00 0.00 O ATOM 1115 CB MET A 77 4.124 5.482 1.536 1.00 0.00 C ATOM 1116 CG MET A 77 3.094 4.381 1.801 1.00 0.00 C ATOM 1117 SD MET A 77 2.184 4.023 0.309 1.00 0.00 S ATOM 1118 CE MET A 77 1.170 2.671 0.881 1.00 0.00 C ATOM 0 H MET A 77 6.166 6.861 0.629 1.00 0.00 H new ATOM 0 HA MET A 77 5.442 3.993 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.626 5.747 2.467 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.619 6.380 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.595 3.480 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.408 4.695 2.588 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.971 1.990 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.692 2.135 1.674 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.227 3.061 1.266 1.00 0.00 H new ATOM 1126 N VAL A 78 4.372 3.954 -1.506 1.00 0.00 N ATOM 1127 CA VAL A 78 3.805 3.887 -2.842 1.00 0.00 C ATOM 1128 C VAL A 78 2.586 2.963 -2.829 1.00 0.00 C ATOM 1129 O VAL A 78 2.450 2.122 -1.942 1.00 0.00 O ATOM 1130 CB VAL A 78 4.877 3.447 -3.843 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.360 2.319 -4.737 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.364 4.631 -4.680 1.00 0.00 C ATOM 0 H VAL A 78 4.608 3.050 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 78 3.463 4.871 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 78 5.727 3.064 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.140 2.025 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.085 1.463 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.486 2.664 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.125 4.291 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.525 5.057 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.790 5.390 -4.024 1.00 0.00 H new ATOM 1142 N VAL A 79 1.729 3.153 -3.822 1.00 0.00 N ATOM 1143 CA VAL A 79 0.526 2.348 -3.935 1.00 0.00 C ATOM 1144 C VAL A 79 -0.091 2.553 -5.320 1.00 0.00 C ATOM 1145 O VAL A 79 -0.582 3.638 -5.631 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.439 2.685 -2.795 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.060 4.069 -2.994 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.521 1.613 -2.658 1.00 0.00 C ATOM 0 H VAL A 79 1.845 3.853 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 79 0.765 1.289 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 79 0.132 2.704 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.741 4.284 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.272 4.821 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.610 4.089 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.193 1.877 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.087 1.547 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.055 0.650 -2.448 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.048 1.494 -6.115 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.597 1.544 -7.460 1.00 0.00 C ATOM 1160 C CYS A 80 -1.557 0.366 -7.631 1.00 0.00 C ATOM 1161 O CYS A 80 -1.891 -0.314 -6.661 1.00 0.00 O ATOM 1162 CB CYS A 80 0.505 1.542 -8.521 1.00 0.00 C ATOM 1163 SG CYS A 80 1.616 0.110 -8.266 1.00 0.00 S ATOM 0 H CYS A 80 0.359 0.596 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.142 2.478 -7.599 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.063 1.497 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.075 2.469 -8.467 1.00 0.00 H new ATOM 0 HG CYS A 80 1.598 -0.236 -7.013 1.00 0.00 H new ATOM 1168 N ALA A 81 -1.974 0.159 -8.872 1.00 0.00 N ATOM 1169 CA ALA A 81 -2.889 -0.926 -9.183 1.00 0.00 C ATOM 1170 C ALA A 81 -4.282 -0.579 -8.655 1.00 0.00 C ATOM 1171 O ALA A 81 -4.977 -1.439 -8.116 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.351 -2.232 -8.595 1.00 0.00 C ATOM 0 H ALA A 81 -1.695 0.724 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.970 -1.063 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.037 -3.046 -8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.373 -2.448 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.259 -2.133 -7.513 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.649 0.682 -8.829 1.00 0.00 N ATOM 1179 CA ILE A 82 -5.947 1.153 -8.378 1.00 0.00 C ATOM 1180 C ILE A 82 -7.026 0.674 -9.352 1.00 0.00 C ATOM 1181 O ILE A 82 -6.932 -0.425 -9.896 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.927 2.670 -8.179 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.983 3.103 -7.160 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.086 3.399 -9.514 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.478 2.904 -5.730 1.00 0.00 C ATOM 0 H ILE A 82 -4.070 1.392 -9.276 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.188 0.730 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.955 2.949 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.237 4.151 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.896 2.528 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.069 4.476 -9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.268 3.123 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.035 3.119 -9.971 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.247 3.219 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.248 1.851 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.578 3.500 -5.576 1.00 0.00 H new ATOM 1196 N SER A 83 -8.025 1.523 -9.542 1.00 0.00 N ATOM 1197 CA SER A 83 -9.120 1.201 -10.441 1.00 0.00 C ATOM 1198 C SER A 83 -10.101 2.372 -10.512 1.00 0.00 C ATOM 1199 O SER A 83 -10.098 3.243 -9.642 1.00 0.00 O ATOM 1200 CB SER A 83 -9.843 -0.072 -9.993 1.00 0.00 C ATOM 1201 OG SER A 83 -11.148 0.205 -9.493 1.00 0.00 O ATOM 0 H SER A 83 -8.099 2.434 -9.089 1.00 0.00 H new ATOM 0 HA SER A 83 -8.707 1.022 -11.434 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.915 -0.763 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.257 -0.570 -9.221 1.00 0.00 H new ATOM 0 HG SER A 83 -11.578 -0.632 -9.219 1.00 0.00 H new ATOM 1206 N PRO A 84 -10.939 2.356 -11.583 1.00 0.00 N ATOM 1207 CA PRO A 84 -11.924 3.407 -11.779 1.00 0.00 C ATOM 1208 C PRO A 84 -13.099 3.244 -10.813 1.00 0.00 C ATOM 1209 O PRO A 84 -14.022 4.057 -10.809 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.333 3.296 -13.238 1.00 0.00 C ATOM 1211 CG PRO A 84 -11.915 1.904 -13.683 1.00 0.00 C ATOM 1212 CD PRO A 84 -10.971 1.342 -12.633 1.00 0.00 C ATOM 0 HA PRO A 84 -11.528 4.400 -11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.408 3.437 -13.354 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.844 4.062 -13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.788 1.261 -13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.423 1.946 -14.655 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.329 0.386 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.977 1.168 -13.046 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.028 2.185 -10.019 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.075 1.905 -9.051 1.00 0.00 C ATOM 1219 C ALA A 85 -13.438 1.570 -7.701 1.00 0.00 C ATOM 1220 O ALA A 85 -14.025 0.847 -6.896 1.00 0.00 O ATOM 1221 CB ALA A 85 -14.963 0.774 -9.573 1.00 0.00 C ATOM 0 H ALA A 85 -12.262 1.511 -10.026 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.710 2.779 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.749 0.564 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.414 1.073 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.360 -0.121 -9.725 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.247 2.112 -7.493 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.525 1.879 -6.254 1.00 0.00 C ATOM 1229 C VAL A 86 -10.861 3.182 -5.805 1.00 0.00 C ATOM 1230 O VAL A 86 -10.778 3.461 -4.608 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.530 0.732 -6.435 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.376 0.844 -5.437 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.229 -0.624 -6.314 1.00 0.00 C ATOM 0 H VAL A 86 -11.764 2.712 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.211 1.573 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.113 0.806 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.683 0.016 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.853 1.788 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.769 0.808 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.499 -1.423 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.687 -0.711 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.000 -0.706 -7.080 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.403 3.945 -6.786 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.748 5.211 -6.506 1.00 0.00 C ATOM 1245 C LYS A 87 -10.787 6.221 -6.018 1.00 0.00 C ATOM 1246 O LYS A 87 -10.435 7.306 -5.556 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.955 5.685 -7.726 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.648 6.868 -8.405 1.00 0.00 C ATOM 1249 CD LYS A 87 -10.760 6.388 -9.341 1.00 0.00 C ATOM 1250 CE LYS A 87 -12.139 6.669 -8.742 1.00 0.00 C ATOM 1251 NZ LYS A 87 -13.020 7.306 -9.747 1.00 0.00 N ATOM 0 H LYS A 87 -10.473 3.711 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.017 5.093 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.950 5.975 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.849 4.865 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.066 7.532 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.917 7.447 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.670 6.888 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.650 5.319 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.587 5.738 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.039 7.319 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.952 7.490 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.598 8.204 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.129 6.672 -10.564 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.047 5.830 -6.137 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.140 6.688 -5.713 1.00 0.00 C ATOM 1262 C ARG A 88 -13.181 6.782 -4.187 1.00 0.00 C ATOM 1263 O ARG A 88 -13.717 7.740 -3.634 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.484 6.160 -6.221 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.042 5.089 -5.282 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.271 3.777 -5.426 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.185 2.629 -5.233 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.247 2.366 -6.023 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.540 3.168 -7.068 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.997 1.311 -5.758 1.00 0.00 N ATOM 0 H ARG A 88 -12.335 4.930 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.967 7.677 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.194 6.983 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.361 5.744 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.983 5.438 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.096 4.921 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.809 3.723 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.464 3.737 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.001 1.997 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.957 3.981 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.345 2.961 -7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.770 0.710 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.803 1.098 -6.345 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.608 5.772 -3.549 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.572 5.727 -2.096 1.00 0.00 C ATOM 1282 C LEU A 89 -11.737 6.899 -1.576 1.00 0.00 C ATOM 1283 O LEU A 89 -12.146 7.591 -0.644 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.082 4.362 -1.613 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.132 3.468 -0.949 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.473 2.306 -0.206 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.049 4.286 -0.037 1.00 0.00 C ATOM 0 H LEU A 89 -12.165 4.978 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.576 5.842 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.664 3.826 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.268 4.520 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.757 3.036 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.242 1.687 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.897 1.704 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.810 2.697 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.786 3.628 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.455 4.765 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.560 5.049 -0.624 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.583 7.086 -2.200 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.687 8.162 -1.811 1.00 0.00 C ATOM 1300 C PHE A 90 -10.060 9.467 -2.516 1.00 0.00 C ATOM 1301 O PHE A 90 -9.708 10.550 -2.052 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.278 7.748 -2.240 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.900 6.321 -1.840 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.233 5.277 -2.645 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.231 6.096 -0.677 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.881 3.953 -2.274 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.879 4.772 -0.305 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.212 3.728 -1.111 1.00 0.00 C ATOM 0 H PHE A 90 -10.248 6.510 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.751 8.330 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.196 7.845 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.558 8.440 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.766 5.455 -3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.968 6.925 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.144 3.124 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.347 4.594 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.945 2.721 -0.828 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.768 9.322 -3.627 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.192 10.475 -4.401 1.00 0.00 C ATOM 1319 C ASP A 91 -12.290 11.221 -3.639 1.00 0.00 C ATOM 1320 O ASP A 91 -12.374 12.446 -3.705 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.762 10.051 -5.756 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.137 10.746 -6.967 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.916 10.946 -7.029 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.973 11.093 -7.887 1.00 0.00 O ATOM 0 H ASP A 91 -11.059 8.422 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.322 11.112 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.632 8.974 -5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.835 10.245 -5.759 1.00 0.00 H new ATOM 1329 N MET A 92 -13.103 10.449 -2.932 1.00 0.00 N ATOM 1330 CA MET A 92 -14.192 11.021 -2.158 1.00 0.00 C ATOM 1331 C MET A 92 -13.700 11.496 -0.789 1.00 0.00 C ATOM 1332 O MET A 92 -14.178 12.503 -0.269 1.00 0.00 O ATOM 1333 CB MET A 92 -15.290 9.973 -1.970 1.00 0.00 C ATOM 1334 CG MET A 92 -16.527 10.587 -1.312 1.00 0.00 C ATOM 1335 SD MET A 92 -17.905 9.458 -1.430 1.00 0.00 S ATOM 1336 CE MET A 92 -19.216 10.608 -1.811 1.00 0.00 C ATOM 0 H MET A 92 -13.029 9.433 -2.879 1.00 0.00 H new ATOM 0 HA MET A 92 -14.587 11.880 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.561 9.548 -2.936 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.915 9.155 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.319 10.812 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.777 11.531 -1.797 1.00 0.00 H new ATOM 0 HE1 MET A 92 -20.155 10.066 -1.919 1.00 0.00 H new ATOM 0 HE2 MET A 92 -19.307 11.336 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.987 11.126 -2.742 1.00 0.00 H new ATOM 1344 N SER A 93 -12.751 10.749 -0.244 1.00 0.00 N ATOM 1345 CA SER A 93 -12.190 11.080 1.055 1.00 0.00 C ATOM 1346 C SER A 93 -11.436 12.410 0.974 1.00 0.00 C ATOM 1347 O SER A 93 -11.600 13.273 1.835 1.00 0.00 O ATOM 1348 CB SER A 93 -11.260 9.973 1.552 1.00 0.00 C ATOM 1349 OG SER A 93 -10.805 10.214 2.881 1.00 0.00 O ATOM 0 H SER A 93 -12.356 9.915 -0.679 1.00 0.00 H new ATOM 0 HA SER A 93 -13.009 11.175 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.783 9.017 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.402 9.893 0.884 1.00 0.00 H new ATOM 0 HG SER A 93 -10.215 9.484 3.162 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.627 12.533 -0.067 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.847 13.743 -0.270 1.00 0.00 C ATOM 1356 C GLY A 94 -8.466 13.621 0.377 1.00 0.00 C ATOM 1357 O GLY A 94 -7.627 14.507 0.228 1.00 0.00 O ATOM 0 H GLY A 94 -10.494 11.815 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.737 13.934 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.377 14.596 0.153 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.274 12.516 1.082 1.00 0.00 N ATOM 1362 CA LEU A 95 -7.010 12.266 1.752 1.00 0.00 C ATOM 1363 C LEU A 95 -6.113 11.424 0.843 1.00 0.00 C ATOM 1364 O LEU A 95 -5.073 10.928 1.277 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.247 11.643 3.129 1.00 0.00 C ATOM 1366 CG LEU A 95 -6.151 11.880 4.170 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.474 13.235 3.956 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.702 11.732 5.590 1.00 0.00 C ATOM 0 H LEU A 95 -8.973 11.783 1.204 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.486 13.204 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.186 12.030 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.374 10.568 3.002 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.386 11.115 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.699 13.378 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.025 13.264 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.215 14.030 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.903 11.905 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.498 12.459 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.098 10.725 5.723 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.546 11.288 -0.402 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.796 10.513 -1.376 1.00 0.00 C ATOM 1381 C PHE A 96 -4.319 10.916 -1.375 1.00 0.00 C ATOM 1382 O PHE A 96 -3.445 10.085 -1.617 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.395 10.821 -2.749 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.596 9.586 -3.630 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.903 8.445 -3.370 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.465 9.631 -4.676 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.088 7.300 -4.188 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.650 8.484 -5.494 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.958 7.343 -5.233 1.00 0.00 C ATOM 0 H PHE A 96 -7.407 11.702 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.857 9.452 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.356 11.318 -2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.744 11.524 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.212 8.410 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.014 10.538 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.538 6.394 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.341 8.518 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.099 6.471 -5.855 1.00 0.00 H new ATOM 1398 N LYS A 97 -4.087 12.191 -1.101 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.732 12.714 -1.066 1.00 0.00 C ATOM 1400 C LYS A 97 -1.947 12.011 0.044 1.00 0.00 C ATOM 1401 O LYS A 97 -0.718 11.972 0.012 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.749 14.238 -0.937 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.780 14.857 -1.882 1.00 0.00 C ATOM 1404 CD LYS A 97 -3.522 16.353 -2.072 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.828 17.108 -2.326 1.00 0.00 C ATOM 1406 NZ LYS A 97 -5.332 16.828 -3.689 1.00 0.00 N ATOM 0 H LYS A 97 -4.815 12.877 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.218 12.503 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.979 14.517 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.760 14.637 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.742 14.353 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.782 14.705 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.031 16.756 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.842 16.505 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.574 16.814 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.665 18.179 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.219 17.348 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.625 17.131 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.506 15.808 -3.792 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.690 11.473 1.000 1.00 0.00 N ATOM 1416 CA ILE A 98 -2.079 10.775 2.119 1.00 0.00 C ATOM 1417 C ILE A 98 -1.768 9.334 1.705 1.00 0.00 C ATOM 1418 O ILE A 98 -1.058 8.621 2.413 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.962 10.879 3.363 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.164 11.403 4.559 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.642 9.543 3.668 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.108 10.362 5.678 1.00 0.00 C ATOM 0 H ILE A 98 -3.709 11.506 1.023 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.132 11.243 2.389 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.752 11.602 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.152 11.657 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.621 12.319 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.264 9.646 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.264 9.250 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.883 8.780 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.535 10.759 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.120 10.128 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.629 9.456 5.308 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.313 8.949 0.561 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.103 7.607 0.045 1.00 0.00 C ATOM 1435 C ILE A 99 -1.323 7.688 -1.269 1.00 0.00 C ATOM 1436 O ILE A 99 -0.804 6.681 -1.750 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.434 6.865 -0.076 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.015 6.553 1.306 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.285 5.606 -0.931 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.981 5.855 2.191 1.00 0.00 C ATOM 0 H ILE A 99 -2.900 9.543 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.500 7.022 0.740 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.143 7.518 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.343 7.476 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.895 5.919 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.247 5.098 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.948 5.882 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.554 4.939 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.420 5.645 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.673 4.920 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.113 6.502 2.315 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.263 8.895 -1.813 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.555 9.119 -3.062 1.00 0.00 C ATOM 1453 C ARG A 100 -0.645 7.879 -3.953 1.00 0.00 C ATOM 1454 O ARG A 100 0.223 7.009 -3.900 1.00 0.00 O ATOM 1455 CB ARG A 100 0.916 9.452 -2.807 1.00 0.00 C ATOM 1456 CG ARG A 100 1.451 10.417 -3.868 1.00 0.00 C ATOM 1457 CD ARG A 100 2.898 10.080 -4.237 1.00 0.00 C ATOM 1458 NE ARG A 100 3.818 11.064 -3.624 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.137 12.251 -4.183 1.00 0.00 C ATOM 1460 NH1 ARG A 100 3.613 12.611 -5.373 1.00 0.00 N ATOM 1461 NH2 ARG A 100 4.971 13.054 -3.547 1.00 0.00 N ATOM 0 H ARG A 100 -1.693 9.728 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.025 9.964 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.026 9.896 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.506 8.536 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.824 10.368 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.396 11.440 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.145 9.075 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.016 10.085 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 100 4.237 10.831 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.970 11.985 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.860 13.510 -5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.363 12.774 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.223 13.954 -3.955 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.701 7.838 -4.750 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.916 6.718 -5.652 1.00 0.00 C ATOM 1473 C PHE A 101 -1.632 7.119 -7.101 1.00 0.00 C ATOM 1474 O PHE A 101 -1.424 8.295 -7.394 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.387 6.317 -5.525 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.604 4.832 -5.230 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.446 3.911 -6.219 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.955 4.432 -3.978 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.646 2.533 -5.944 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.155 3.053 -3.704 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.997 2.133 -4.692 1.00 0.00 C ATOM 0 H PHE A 101 -2.418 8.562 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.247 5.897 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.846 6.906 -4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.904 6.572 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.168 4.229 -7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.081 5.163 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.520 1.802 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.433 2.735 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.150 1.085 -4.483 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.631 6.118 -7.969 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.375 6.352 -9.380 1.00 0.00 C ATOM 1492 C GLU A 102 -2.135 5.332 -10.232 1.00 0.00 C ATOM 1493 O GLU A 102 -3.241 4.926 -9.882 1.00 0.00 O ATOM 1494 CB GLU A 102 0.124 6.308 -9.680 1.00 0.00 C ATOM 1495 CG GLU A 102 0.533 7.460 -10.601 1.00 0.00 C ATOM 1496 CD GLU A 102 0.968 6.939 -11.972 1.00 0.00 C ATOM 1497 OE1 GLU A 102 2.162 6.983 -12.302 1.00 0.00 O ATOM 1498 OE2 GLU A 102 0.014 6.473 -12.706 1.00 0.00 O ATOM 0 H GLU A 102 -1.803 5.143 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.733 7.349 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.687 6.365 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.377 5.356 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.302 8.150 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.349 8.022 -10.146 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.510 4.949 -11.336 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.112 3.985 -12.241 1.00 0.00 C ATOM 1506 C GLN A 103 -1.034 3.308 -13.090 1.00 0.00 C ATOM 1507 O GLN A 103 -0.570 3.874 -14.079 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.169 4.651 -13.125 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.327 5.191 -12.284 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.453 5.719 -13.176 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.425 5.601 -14.390 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.442 6.306 -12.508 1.00 0.00 N ATOM 0 H GLN A 103 -0.593 5.289 -11.624 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.611 3.220 -11.647 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.715 5.465 -13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.547 3.931 -13.851 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.710 4.402 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.968 5.989 -11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.402 6.371 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.240 6.691 -13.013 1.00 0.00 H new ATOM 1519 N SER A 104 -0.667 2.105 -12.673 1.00 0.00 N ATOM 1520 CA SER A 104 0.348 1.345 -13.382 1.00 0.00 C ATOM 1521 C SER A 104 1.597 2.204 -13.588 1.00 0.00 C ATOM 1522 O SER A 104 2.669 1.877 -13.082 1.00 0.00 O ATOM 1523 CB SER A 104 -0.179 0.844 -14.728 1.00 0.00 C ATOM 1524 OG SER A 104 0.867 0.361 -15.566 1.00 0.00 O ATOM 0 H SER A 104 -1.054 1.638 -11.853 1.00 0.00 H new ATOM 0 HA SER A 104 0.608 0.476 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.905 0.048 -14.559 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.705 1.653 -15.235 1.00 0.00 H new ATOM 0 HG SER A 104 0.489 0.049 -16.414 1.00 0.00 H new ATOM 1529 N GLU A 105 1.417 3.284 -14.332 1.00 0.00 N ATOM 1530 CA GLU A 105 2.516 4.193 -14.612 1.00 0.00 C ATOM 1531 C GLU A 105 3.409 4.342 -13.378 1.00 0.00 C ATOM 1532 O GLU A 105 4.607 4.586 -13.500 1.00 0.00 O ATOM 1533 CB GLU A 105 1.998 5.554 -15.081 1.00 0.00 C ATOM 1534 CG GLU A 105 3.144 6.432 -15.586 1.00 0.00 C ATOM 1535 CD GLU A 105 2.777 7.101 -16.913 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.026 8.087 -16.924 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.303 6.560 -17.960 1.00 0.00 O ATOM 0 H GLU A 105 0.526 3.551 -14.750 1.00 0.00 H new ATOM 0 HA GLU A 105 3.113 3.771 -15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.265 5.414 -15.875 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.486 6.055 -14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.378 7.194 -14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.041 5.827 -15.715 1.00 0.00 H new ATOM 1543 N GLN A 106 2.789 4.186 -12.217 1.00 0.00 N ATOM 1544 CA GLN A 106 3.512 4.301 -10.962 1.00 0.00 C ATOM 1545 C GLN A 106 4.412 3.081 -10.756 1.00 0.00 C ATOM 1546 O GLN A 106 5.394 3.147 -10.016 1.00 0.00 O ATOM 1547 CB GLN A 106 2.547 4.475 -9.788 1.00 0.00 C ATOM 1548 CG GLN A 106 3.183 3.997 -8.480 1.00 0.00 C ATOM 1549 CD GLN A 106 2.495 4.635 -7.271 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.876 3.972 -6.455 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.638 5.956 -7.202 1.00 0.00 N ATOM 0 H GLN A 106 1.795 3.981 -12.119 1.00 0.00 H new ATOM 0 HA GLN A 106 4.141 5.190 -11.007 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.264 5.524 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.632 3.914 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.112 2.911 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.244 4.248 -8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.169 6.450 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.216 6.475 -6.432 1.00 0.00 H new ATOM 1558 N GLN A 107 4.046 1.996 -11.421 1.00 0.00 N ATOM 1559 CA GLN A 107 4.808 0.763 -11.320 1.00 0.00 C ATOM 1560 C GLN A 107 6.296 1.072 -11.142 1.00 0.00 C ATOM 1561 O GLN A 107 7.014 0.327 -10.475 1.00 0.00 O ATOM 1562 CB GLN A 107 4.577 -0.128 -12.543 1.00 0.00 C ATOM 1563 CG GLN A 107 5.361 -1.436 -12.424 1.00 0.00 C ATOM 1564 CD GLN A 107 4.732 -2.358 -11.378 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.402 -1.955 -10.276 1.00 0.00 O ATOM 1566 NE2 GLN A 107 4.586 -3.617 -11.784 1.00 0.00 N ATOM 0 H GLN A 107 3.231 1.945 -12.032 1.00 0.00 H new ATOM 0 HA GLN A 107 4.461 0.217 -10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.514 -0.345 -12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.881 0.402 -13.446 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.385 -1.939 -13.391 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.394 -1.221 -12.151 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.884 -3.888 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.176 -4.310 -11.158 1.00 0.00 H new ATOM 1573 N ALA A 108 6.717 2.173 -11.748 1.00 0.00 N ATOM 1574 CA ALA A 108 8.106 2.589 -11.665 1.00 0.00 C ATOM 1575 C ALA A 108 8.322 3.372 -10.368 1.00 0.00 C ATOM 1576 O ALA A 108 9.090 2.952 -9.505 1.00 0.00 O ATOM 1577 CB ALA A 108 8.471 3.405 -12.906 1.00 0.00 C ATOM 0 H ALA A 108 6.120 2.790 -12.299 1.00 0.00 H new ATOM 0 HA ALA A 108 8.765 1.721 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.514 3.717 -12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.328 2.795 -13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.832 4.286 -12.963 1.00 0.00 H new ATOM 1583 N LEU A 109 7.629 4.497 -10.272 1.00 0.00 N ATOM 1584 CA LEU A 109 7.734 5.345 -9.096 1.00 0.00 C ATOM 1585 C LEU A 109 7.314 4.547 -7.860 1.00 0.00 C ATOM 1586 O LEU A 109 7.608 4.941 -6.733 1.00 0.00 O ATOM 1587 CB LEU A 109 6.941 6.637 -9.294 1.00 0.00 C ATOM 1588 CG LEU A 109 7.758 7.932 -9.292 1.00 0.00 C ATOM 1589 CD1 LEU A 109 7.182 8.943 -10.284 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.864 8.511 -7.879 1.00 0.00 C ATOM 0 H LEU A 109 6.992 4.842 -10.990 1.00 0.00 H new ATOM 0 HA LEU A 109 8.767 5.655 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.405 6.570 -10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.190 6.703 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 109 8.771 7.699 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.780 9.854 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.201 8.519 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.154 9.178 -10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.449 9.430 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.866 8.727 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.353 7.788 -7.225 1.00 0.00 H new ATOM 1601 N LEU A 110 6.632 3.439 -8.113 1.00 0.00 N ATOM 1602 CA LEU A 110 6.168 2.583 -7.036 1.00 0.00 C ATOM 1603 C LEU A 110 7.368 2.109 -6.214 1.00 0.00 C ATOM 1604 O LEU A 110 7.281 1.993 -4.991 1.00 0.00 O ATOM 1605 CB LEU A 110 5.312 1.442 -7.588 1.00 0.00 C ATOM 1606 CG LEU A 110 5.482 0.083 -6.905 1.00 0.00 C ATOM 1607 CD1 LEU A 110 4.126 -0.585 -6.667 1.00 0.00 C ATOM 1608 CD2 LEU A 110 6.432 -0.815 -7.698 1.00 0.00 C ATOM 0 H LEU A 110 6.390 3.115 -9.049 1.00 0.00 H new ATOM 0 HA LEU A 110 5.518 3.140 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.264 1.733 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.539 1.324 -8.648 1.00 0.00 H new ATOM 0 HG LEU A 110 5.936 0.247 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.276 -1.549 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.513 0.052 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.622 -0.735 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.535 -1.774 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.031 -0.975 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.409 -0.337 -7.771 1.00 0.00 H new ATOM 1619 N THR A 111 8.459 1.847 -6.917 1.00 0.00 N ATOM 1620 CA THR A 111 9.676 1.388 -6.268 1.00 0.00 C ATOM 1621 C THR A 111 10.165 2.426 -5.256 1.00 0.00 C ATOM 1622 O THR A 111 11.177 2.219 -4.588 1.00 0.00 O ATOM 1623 CB THR A 111 10.702 1.069 -7.357 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.657 -0.350 -7.472 1.00 0.00 O ATOM 1625 CG2 THR A 111 12.137 1.363 -6.914 1.00 0.00 C ATOM 0 H THR A 111 8.526 1.944 -7.930 1.00 0.00 H new ATOM 0 HA THR A 111 9.499 0.479 -5.693 1.00 0.00 H new ATOM 0 HB THR A 111 10.473 1.648 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.292 -0.643 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.825 1.119 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.231 2.420 -6.664 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.378 0.760 -6.039 1.00 0.00 H new ATOM 1633 N LEU A 112 9.425 3.522 -5.176 1.00 0.00 N ATOM 1634 CA LEU A 112 9.771 4.594 -4.258 1.00 0.00 C ATOM 1635 C LEU A 112 10.358 5.766 -5.047 1.00 0.00 C ATOM 1636 O LEU A 112 10.991 6.650 -4.473 1.00 0.00 O ATOM 1637 CB LEU A 112 10.692 4.075 -3.151 1.00 0.00 C ATOM 1638 CG LEU A 112 12.175 4.421 -3.296 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.646 5.309 -2.142 1.00 0.00 C ATOM 1640 CD2 LEU A 112 13.024 3.155 -3.428 1.00 0.00 C ATOM 0 H LEU A 112 8.587 3.691 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 112 8.880 4.965 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.339 4.468 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.595 2.990 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 112 12.304 4.992 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.704 5.540 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.070 6.234 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.500 4.785 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.074 3.430 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.895 2.536 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.709 2.596 -4.309 1.00 0.00 H new ATOM 1651 N GLY A 113 10.126 5.735 -6.351 1.00 0.00 N ATOM 1652 CA GLY A 113 10.624 6.784 -7.225 1.00 0.00 C ATOM 1653 C GLY A 113 12.127 6.629 -7.466 1.00 0.00 C ATOM 1654 O GLY A 113 12.713 7.373 -8.252 1.00 0.00 O ATOM 0 H GLY A 113 9.600 5.000 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.094 6.751 -8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.422 7.759 -6.781 1.00 0.00 H new ATOM 1658 N VAL A 114 12.708 5.658 -6.778 1.00 0.00 N ATOM 1659 CA VAL A 114 14.131 5.396 -6.906 1.00 0.00 C ATOM 1660 C VAL A 114 14.341 3.947 -7.350 1.00 0.00 C ATOM 1661 O VAL A 114 13.606 3.441 -8.198 1.00 0.00 O ATOM 1662 CB VAL A 114 14.845 5.729 -5.596 1.00 0.00 C ATOM 1663 CG1 VAL A 114 16.348 5.913 -5.821 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.235 6.968 -4.937 1.00 0.00 C ATOM 0 H VAL A 114 12.218 5.042 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 114 14.569 6.037 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 114 14.708 4.887 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.832 6.149 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.771 4.993 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.513 6.728 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.762 7.182 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.326 7.820 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.182 6.785 -4.723 1.00 0.00 H new ATOM 1674 N ALA A 115 15.345 3.319 -6.757 1.00 0.00 N ATOM 1675 CA ALA A 115 15.660 1.939 -7.081 1.00 0.00 C ATOM 1676 C ALA A 115 15.402 1.696 -8.570 1.00 0.00 C ATOM 1677 O ALA A 115 14.902 0.639 -8.953 1.00 0.00 O ATOM 1678 CB ALA A 115 14.841 1.005 -6.188 1.00 0.00 C ATOM 0 H ALA A 115 15.951 3.741 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 115 16.713 1.732 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.077 -0.031 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.083 1.197 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.778 1.183 -6.353 1.00 0.00 H new