USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot -151:sc= 0.138 USER MOD Set 1.2: A 118 THR OG1 : rot 149:sc= 0.252 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.38 K(o=-1.8,f=-5.7!) USER MOD Set 2.2: A 100 MET CE :methyl 167:sc= -1.38 (180deg=-0.319) USER MOD Set 2.3: A 112 MET CE :methyl 140:sc= -0.0126 (180deg=-0.115) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.015 K(o=-0.015,f=-2.3) USER MOD Set 3.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 58 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Set 4.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 7 ASN : amide:sc= -1.91! X(o=-1.9!,f=-1.6) USER MOD Set 5.2: A 10 LYS NZ :NH3+ -143:sc= 0.0124 (180deg=0) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.5 (180deg=-0.812) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 83:sc= 1.11 USER MOD Single : A 21 HIS : no HE2:sc= 0.493 K(o=0.49,f=-1.8!) USER MOD Single : A 22 GLN : amide:sc= -2.67 K(o=-2.7,f=-0.13) USER MOD Single : A 23 GLN : amide:sc= -1.66 K(o=-1.7,f=-6.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc=-0.00964 (180deg=-0.128) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.946 (180deg=-2.49!) USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= 1.12 (180deg=0.164) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc=-0.00493 X(o=-0.0049,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000358) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 0.188 (180deg=-0.051) USER MOD Single : A 68 MET CE :methyl -175:sc= 0 (180deg=-0.0294) USER MOD Single : A 70 MET CE :methyl -157:sc= -0.0233 (180deg=-0.807) USER MOD Single : A 73 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.61) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.62) USER MOD Single : A 84 MET CE :methyl 176:sc= -0.634 (180deg=-0.754) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0.106 (180deg=0.105) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -66:sc= 1.27 USER MOD Single : A 107 MET CE :methyl 133:sc= -0.061 (180deg=-0.635) USER MOD Single : A 113 THR OG1 : rot -170:sc= -0.017 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.577 -7.403 -4.193 1.00 0.00 N ATOM 2 CA MET A 1 -13.884 -6.671 -2.937 1.00 0.00 C ATOM 3 C MET A 1 -14.153 -5.181 -3.235 1.00 0.00 C ATOM 4 O MET A 1 -13.275 -4.481 -3.751 1.00 0.00 O ATOM 5 CB MET A 1 -12.703 -6.808 -1.940 1.00 0.00 C ATOM 6 CG MET A 1 -12.888 -6.067 -0.610 1.00 0.00 C ATOM 7 SD MET A 1 -11.413 -6.100 0.431 1.00 0.00 S ATOM 8 CE MET A 1 -10.182 -5.323 -0.625 1.00 0.00 C ATOM 0 H1 MET A 1 -13.398 -8.404 -3.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.384 -7.328 -4.844 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.733 -6.989 -4.639 1.00 0.00 H new ATOM 0 HA MET A 1 -14.779 -7.105 -2.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.545 -7.866 -1.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.797 -6.440 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.159 -5.031 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.720 -6.513 -0.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.281 -5.120 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.939 -5.990 -1.452 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.579 -4.387 -1.018 1.00 0.00 H new ATOM 18 N LYS A 2 -15.372 -4.712 -2.918 1.00 0.00 N ATOM 19 CA LYS A 2 -15.740 -3.282 -2.987 1.00 0.00 C ATOM 20 C LYS A 2 -15.507 -2.599 -1.627 1.00 0.00 C ATOM 21 O LYS A 2 -15.383 -1.366 -1.557 1.00 0.00 O ATOM 22 CB LYS A 2 -17.214 -3.128 -3.444 1.00 0.00 C ATOM 23 CG LYS A 2 -17.506 -3.719 -4.847 1.00 0.00 C ATOM 24 CD LYS A 2 -16.606 -3.109 -5.950 1.00 0.00 C ATOM 25 CE LYS A 2 -16.885 -3.693 -7.345 1.00 0.00 C ATOM 26 NZ LYS A 2 -15.947 -3.160 -8.367 1.00 0.00 N ATOM 0 H LYS A 2 -16.134 -5.314 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.103 -2.791 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.862 -3.614 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.474 -2.069 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.360 -4.799 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.552 -3.545 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.756 -2.030 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.560 -3.279 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.802 -4.779 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.909 -3.462 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.168 -3.578 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.044 -2.126 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.971 -3.402 -8.102 1.00 0.00 H new ATOM 40 N GLU A 3 -15.442 -3.422 -0.559 1.00 0.00 N ATOM 41 CA GLU A 3 -15.146 -2.978 0.812 1.00 0.00 C ATOM 42 C GLU A 3 -13.756 -2.310 0.868 1.00 0.00 C ATOM 43 O GLU A 3 -12.776 -2.852 0.332 1.00 0.00 O ATOM 44 CB GLU A 3 -15.203 -4.196 1.770 1.00 0.00 C ATOM 45 CG GLU A 3 -14.991 -3.855 3.255 1.00 0.00 C ATOM 46 CD GLU A 3 -14.934 -5.099 4.149 1.00 0.00 C ATOM 47 OE1 GLU A 3 -16.000 -5.618 4.531 1.00 0.00 O ATOM 48 OE2 GLU A 3 -13.828 -5.579 4.458 1.00 0.00 O ATOM 0 H GLU A 3 -15.597 -4.428 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.889 -2.244 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.171 -4.684 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.445 -4.917 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.064 -3.292 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.800 -3.207 3.593 1.00 0.00 H new ATOM 55 N VAL A 4 -13.684 -1.142 1.515 1.00 0.00 N ATOM 56 CA VAL A 4 -12.490 -0.290 1.494 1.00 0.00 C ATOM 57 C VAL A 4 -11.490 -0.706 2.603 1.00 0.00 C ATOM 58 O VAL A 4 -11.522 -0.201 3.723 1.00 0.00 O ATOM 59 CB VAL A 4 -12.888 1.230 1.587 1.00 0.00 C ATOM 60 CG1 VAL A 4 -11.670 2.155 1.377 1.00 0.00 C ATOM 61 CG2 VAL A 4 -14.017 1.568 0.583 1.00 0.00 C ATOM 0 H VAL A 4 -14.452 -0.761 2.068 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.980 -0.431 0.541 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.262 1.407 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.987 3.196 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.921 1.950 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.241 1.973 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.274 2.624 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.678 1.356 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.895 0.962 0.805 1.00 0.00 H new ATOM 71 N GLU A 5 -10.705 -1.744 2.276 1.00 0.00 N ATOM 72 CA GLU A 5 -9.479 -2.154 3.028 1.00 0.00 C ATOM 73 C GLU A 5 -8.563 -0.922 3.328 1.00 0.00 C ATOM 74 O GLU A 5 -7.898 -0.842 4.366 1.00 0.00 O ATOM 75 CB GLU A 5 -8.704 -3.209 2.184 1.00 0.00 C ATOM 76 CG GLU A 5 -7.529 -3.916 2.892 1.00 0.00 C ATOM 77 CD GLU A 5 -7.974 -4.855 4.025 1.00 0.00 C ATOM 78 OE1 GLU A 5 -8.746 -5.806 3.751 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.561 -4.653 5.186 1.00 0.00 O ATOM 0 H GLU A 5 -10.896 -2.340 1.471 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.774 -2.585 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.411 -3.969 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.320 -2.718 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.963 -4.488 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.854 -3.163 3.298 1.00 0.00 H new ATOM 86 N LYS A 6 -8.479 -0.054 2.301 1.00 0.00 N ATOM 87 CA LYS A 6 -7.804 1.281 2.457 1.00 0.00 C ATOM 88 C LYS A 6 -8.227 2.014 3.783 1.00 0.00 C ATOM 89 O LYS A 6 -7.403 2.693 4.406 1.00 0.00 O ATOM 90 CB LYS A 6 -8.057 2.238 1.243 1.00 0.00 C ATOM 91 CG LYS A 6 -7.399 1.841 -0.106 1.00 0.00 C ATOM 92 CD LYS A 6 -8.032 0.605 -0.774 1.00 0.00 C ATOM 93 CE LYS A 6 -7.441 0.297 -2.162 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.986 -0.972 -2.701 1.00 0.00 N ATOM 0 H LYS A 6 -8.855 -0.232 1.370 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.739 1.052 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.133 2.313 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.704 3.233 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.464 2.685 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.339 1.648 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.893 -0.261 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.106 0.762 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.667 1.114 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.355 0.230 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.573 -1.158 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.749 -1.753 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.020 -0.897 -2.788 1.00 0.00 H new ATOM 108 N ASN A 7 -9.510 1.845 4.197 1.00 0.00 N ATOM 109 CA ASN A 7 -10.005 2.427 5.487 1.00 0.00 C ATOM 110 C ASN A 7 -9.297 1.814 6.720 1.00 0.00 C ATOM 111 O ASN A 7 -9.087 2.508 7.713 1.00 0.00 O ATOM 112 CB ASN A 7 -11.537 2.230 5.673 1.00 0.00 C ATOM 113 CG ASN A 7 -12.413 3.129 4.796 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.043 4.251 4.464 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.602 2.648 4.436 1.00 0.00 N ATOM 0 H ASN A 7 -10.213 1.323 3.674 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.775 3.490 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.783 1.189 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.788 2.411 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.232 3.216 3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.883 1.711 4.727 1.00 0.00 H new ATOM 122 N GLU A 8 -9.010 0.503 6.652 1.00 0.00 N ATOM 123 CA GLU A 8 -8.284 -0.239 7.719 1.00 0.00 C ATOM 124 C GLU A 8 -6.869 0.329 7.928 1.00 0.00 C ATOM 125 O GLU A 8 -6.459 0.600 9.070 1.00 0.00 O ATOM 126 CB GLU A 8 -8.174 -1.749 7.368 1.00 0.00 C ATOM 127 CG GLU A 8 -9.477 -2.423 6.926 1.00 0.00 C ATOM 128 CD GLU A 8 -10.631 -2.285 7.931 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.654 -3.040 8.928 1.00 0.00 O ATOM 130 OE2 GLU A 8 -11.511 -1.409 7.741 1.00 0.00 O ATOM 0 H GLU A 8 -9.272 -0.081 5.858 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.857 -0.120 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.438 -1.866 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.789 -2.279 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.788 -1.997 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.285 -3.482 6.754 1.00 0.00 H new ATOM 137 N ILE A 9 -6.118 0.479 6.816 1.00 0.00 N ATOM 138 CA ILE A 9 -4.772 1.082 6.848 1.00 0.00 C ATOM 139 C ILE A 9 -4.831 2.536 7.382 1.00 0.00 C ATOM 140 O ILE A 9 -4.015 2.925 8.210 1.00 0.00 O ATOM 141 CB ILE A 9 -4.071 1.021 5.431 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.945 -0.469 4.936 1.00 0.00 C ATOM 143 CG2 ILE A 9 -2.681 1.718 5.445 1.00 0.00 C ATOM 144 CD1 ILE A 9 -3.024 -1.365 5.776 1.00 0.00 C ATOM 0 H ILE A 9 -6.423 0.190 5.886 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.164 0.494 7.535 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.702 1.567 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.940 -0.914 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.581 -0.463 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.232 1.655 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.802 2.765 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.033 1.223 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.007 -2.369 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.015 -0.953 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.395 -1.410 6.800 1.00 0.00 H new ATOM 156 N LYS A 10 -5.848 3.301 6.934 1.00 0.00 N ATOM 157 CA LYS A 10 -6.108 4.685 7.414 1.00 0.00 C ATOM 158 C LYS A 10 -6.332 4.709 8.942 1.00 0.00 C ATOM 159 O LYS A 10 -5.886 5.620 9.622 1.00 0.00 O ATOM 160 CB LYS A 10 -7.364 5.249 6.700 1.00 0.00 C ATOM 161 CG LYS A 10 -7.784 6.682 7.130 1.00 0.00 C ATOM 162 CD LYS A 10 -9.223 7.047 6.684 1.00 0.00 C ATOM 163 CE LYS A 10 -10.290 6.126 7.312 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.669 6.501 6.913 1.00 0.00 N ATOM 0 H LYS A 10 -6.514 2.982 6.230 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.238 5.300 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.182 5.249 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.200 4.573 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.713 6.766 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.084 7.403 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.433 8.081 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.289 6.986 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.097 5.095 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.206 6.165 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.313 6.361 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.687 7.500 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.974 5.905 6.117 1.00 0.00 H new ATOM 178 N ARG A 11 -7.100 3.721 9.409 1.00 0.00 N ATOM 179 CA ARG A 11 -7.420 3.512 10.835 1.00 0.00 C ATOM 180 C ARG A 11 -6.150 3.366 11.710 1.00 0.00 C ATOM 181 O ARG A 11 -5.966 4.145 12.653 1.00 0.00 O ATOM 182 CB ARG A 11 -8.360 2.294 10.995 1.00 0.00 C ATOM 183 CG ARG A 11 -8.766 1.964 12.445 1.00 0.00 C ATOM 184 CD ARG A 11 -9.832 0.861 12.513 1.00 0.00 C ATOM 185 NE ARG A 11 -11.109 1.308 11.914 1.00 0.00 N ATOM 186 CZ ARG A 11 -11.782 0.670 10.946 1.00 0.00 C ATOM 187 NH1 ARG A 11 -11.314 -0.447 10.430 1.00 0.00 N ATOM 188 NH2 ARG A 11 -12.914 1.171 10.499 1.00 0.00 N ATOM 0 H ARG A 11 -7.529 3.026 8.798 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.936 4.403 11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.264 2.474 10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.872 1.420 10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.885 1.650 13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.146 2.864 12.928 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.474 -0.026 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.996 0.575 13.552 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.512 2.176 12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.432 -0.834 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.833 -0.925 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.276 2.041 10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.429 0.689 9.763 1.00 0.00 H new ATOM 202 N LEU A 12 -5.282 2.372 11.401 1.00 0.00 N ATOM 203 CA LEU A 12 -4.027 2.140 12.186 1.00 0.00 C ATOM 204 C LEU A 12 -3.060 3.347 12.091 1.00 0.00 C ATOM 205 O LEU A 12 -2.364 3.683 13.063 1.00 0.00 O ATOM 206 CB LEU A 12 -3.354 0.787 11.773 1.00 0.00 C ATOM 207 CG LEU A 12 -2.994 0.597 10.252 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.541 1.026 9.927 1.00 0.00 C ATOM 209 CD2 LEU A 12 -3.279 -0.844 9.762 1.00 0.00 C ATOM 0 H LEU A 12 -5.417 1.722 10.627 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.295 2.053 13.239 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.438 0.674 12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.020 -0.025 12.067 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.653 1.266 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.346 0.874 8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.409 2.080 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.845 0.426 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.016 -0.929 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.685 -1.550 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.338 -1.069 9.891 1.00 0.00 H new ATOM 221 N SER A 13 -2.985 3.929 10.890 1.00 0.00 N ATOM 222 CA SER A 13 -2.294 5.219 10.675 1.00 0.00 C ATOM 223 C SER A 13 -2.816 6.320 11.643 1.00 0.00 C ATOM 224 O SER A 13 -2.027 6.978 12.304 1.00 0.00 O ATOM 225 CB SER A 13 -2.442 5.659 9.207 1.00 0.00 C ATOM 226 OG SER A 13 -1.882 4.692 8.336 1.00 0.00 O ATOM 0 H SER A 13 -3.394 3.531 10.045 1.00 0.00 H new ATOM 0 HA SER A 13 -1.236 5.076 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.496 5.803 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.948 6.619 9.058 1.00 0.00 H new ATOM 0 HG SER A 13 -2.536 3.981 8.172 1.00 0.00 H new ATOM 232 N ASP A 14 -4.151 6.509 11.678 1.00 0.00 N ATOM 233 CA ASP A 14 -4.837 7.494 12.571 1.00 0.00 C ATOM 234 C ASP A 14 -4.682 7.138 14.074 1.00 0.00 C ATOM 235 O ASP A 14 -4.822 7.997 14.944 1.00 0.00 O ATOM 236 CB ASP A 14 -6.345 7.574 12.193 1.00 0.00 C ATOM 237 CG ASP A 14 -7.075 8.776 12.821 1.00 0.00 C ATOM 238 OD1 ASP A 14 -6.851 9.917 12.362 1.00 0.00 O ATOM 239 OD2 ASP A 14 -7.865 8.594 13.775 1.00 0.00 O ATOM 0 H ASP A 14 -4.797 5.984 11.088 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.361 8.463 12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.437 7.630 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.839 6.655 12.507 1.00 0.00 H new ATOM 244 N ARG A 15 -4.409 5.850 14.329 1.00 0.00 N ATOM 245 CA ARG A 15 -4.115 5.345 15.690 1.00 0.00 C ATOM 246 C ARG A 15 -2.771 5.935 16.157 1.00 0.00 C ATOM 247 O ARG A 15 -2.684 6.584 17.215 1.00 0.00 O ATOM 248 CB ARG A 15 -4.076 3.791 15.712 1.00 0.00 C ATOM 249 CG ARG A 15 -3.866 3.168 17.110 1.00 0.00 C ATOM 250 CD ARG A 15 -4.938 3.588 18.125 1.00 0.00 C ATOM 251 NE ARG A 15 -4.674 3.009 19.457 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.670 3.687 20.610 1.00 0.00 C ATOM 253 NH1 ARG A 15 -4.899 4.991 20.629 1.00 0.00 N ATOM 254 NH2 ARG A 15 -4.438 3.052 21.742 1.00 0.00 N ATOM 0 H ARG A 15 -4.384 5.129 13.608 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.907 5.657 16.371 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.010 3.412 15.298 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.275 3.452 15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.865 2.082 17.020 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.885 3.458 17.486 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.966 4.675 18.198 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.919 3.267 17.775 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.478 2.009 19.502 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.081 5.490 19.758 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.893 5.497 21.515 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.262 2.047 21.736 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.434 3.566 22.623 1.00 0.00 H new ATOM 268 N LEU A 16 -1.750 5.743 15.300 1.00 0.00 N ATOM 269 CA LEU A 16 -0.395 6.276 15.539 1.00 0.00 C ATOM 270 C LEU A 16 -0.436 7.826 15.544 1.00 0.00 C ATOM 271 O LEU A 16 0.246 8.454 16.339 1.00 0.00 O ATOM 272 CB LEU A 16 0.594 5.708 14.461 1.00 0.00 C ATOM 273 CG LEU A 16 2.150 5.842 14.715 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.695 7.263 14.446 1.00 0.00 C ATOM 275 CD2 LEU A 16 2.537 5.355 16.135 1.00 0.00 C ATOM 0 H LEU A 16 -1.839 5.219 14.430 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.032 5.957 16.516 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.370 4.649 14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.370 6.200 13.514 1.00 0.00 H new ATOM 0 HG LEU A 16 2.628 5.189 13.985 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.767 7.284 14.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.509 7.533 13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.194 7.975 15.102 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.613 5.461 16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.013 5.953 16.880 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.258 4.308 16.249 1.00 0.00 H new ATOM 287 N ASP A 17 -1.221 8.401 14.613 1.00 0.00 N ATOM 288 CA ASP A 17 -1.436 9.864 14.494 1.00 0.00 C ATOM 289 C ASP A 17 -1.995 10.491 15.795 1.00 0.00 C ATOM 290 O ASP A 17 -1.425 11.454 16.311 1.00 0.00 O ATOM 291 CB ASP A 17 -2.381 10.145 13.302 1.00 0.00 C ATOM 292 CG ASP A 17 -2.726 11.629 13.115 1.00 0.00 C ATOM 293 OD1 ASP A 17 -1.881 12.374 12.593 1.00 0.00 O ATOM 294 OD2 ASP A 17 -3.850 12.050 13.479 1.00 0.00 O ATOM 0 H ASP A 17 -1.731 7.861 13.913 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.467 10.332 14.319 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.917 9.772 12.389 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.304 9.583 13.443 1.00 0.00 H new ATOM 299 N ALA A 18 -3.155 10.004 16.273 1.00 0.00 N ATOM 300 CA ALA A 18 -3.681 10.298 17.625 1.00 0.00 C ATOM 301 C ALA A 18 -2.607 10.211 18.723 1.00 0.00 C ATOM 302 O ALA A 18 -2.524 11.097 19.577 1.00 0.00 O ATOM 303 CB ALA A 18 -4.843 9.350 17.949 1.00 0.00 C ATOM 0 H ALA A 18 -3.761 9.390 15.729 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.031 11.330 17.611 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.226 9.571 18.945 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.638 9.486 17.216 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.491 8.319 17.916 1.00 0.00 H new ATOM 309 N ILE A 19 -1.763 9.168 18.656 1.00 0.00 N ATOM 310 CA ILE A 19 -0.756 8.924 19.702 1.00 0.00 C ATOM 311 C ILE A 19 0.392 9.961 19.624 1.00 0.00 C ATOM 312 O ILE A 19 0.806 10.488 20.663 1.00 0.00 O ATOM 313 CB ILE A 19 -0.239 7.432 19.696 1.00 0.00 C ATOM 314 CG1 ILE A 19 -1.401 6.478 20.157 1.00 0.00 C ATOM 315 CG2 ILE A 19 1.032 7.236 20.576 1.00 0.00 C ATOM 316 CD1 ILE A 19 -1.041 5.007 20.218 1.00 0.00 C ATOM 0 H ILE A 19 -1.757 8.487 17.897 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.242 9.063 20.668 1.00 0.00 H new ATOM 0 HB ILE A 19 0.057 7.181 18.678 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.740 6.794 21.144 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.243 6.602 19.476 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.345 6.193 20.536 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.835 7.870 20.201 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.806 7.508 21.607 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.908 4.434 20.546 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.734 4.666 19.229 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.222 4.862 20.923 1.00 0.00 H new ATOM 328 N ARG A 20 0.894 10.283 18.408 1.00 0.00 N ATOM 329 CA ARG A 20 1.954 11.283 18.205 1.00 0.00 C ATOM 330 C ARG A 20 1.489 12.701 18.598 1.00 0.00 C ATOM 331 O ARG A 20 2.284 13.464 19.161 1.00 0.00 O ATOM 332 CB ARG A 20 2.487 11.273 16.733 1.00 0.00 C ATOM 333 CG ARG A 20 1.533 11.887 15.689 1.00 0.00 C ATOM 334 CD ARG A 20 2.107 11.946 14.268 1.00 0.00 C ATOM 335 NE ARG A 20 1.160 12.573 13.321 1.00 0.00 N ATOM 336 CZ ARG A 20 1.042 13.899 13.084 1.00 0.00 C ATOM 337 NH1 ARG A 20 1.742 14.794 13.769 1.00 0.00 N ATOM 338 NH2 ARG A 20 0.181 14.324 12.176 1.00 0.00 N ATOM 0 H ARG A 20 0.570 9.852 17.542 1.00 0.00 H new ATOM 0 HA ARG A 20 2.775 11.002 18.865 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.432 11.814 16.701 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.700 10.243 16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.610 11.307 15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.269 12.897 16.004 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.040 12.509 14.276 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.346 10.938 13.930 1.00 0.00 H new ATOM 0 HE ARG A 20 0.542 11.951 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.389 14.488 14.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.633 15.788 13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.389 13.653 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.086 15.323 11.991 1.00 0.00 H new ATOM 352 N HIS A 21 0.212 13.059 18.301 1.00 0.00 N ATOM 353 CA HIS A 21 -0.405 14.337 18.703 1.00 0.00 C ATOM 354 C HIS A 21 -0.503 14.432 20.219 1.00 0.00 C ATOM 355 O HIS A 21 -0.212 15.460 20.799 1.00 0.00 O ATOM 356 CB HIS A 21 -1.831 14.433 18.086 1.00 0.00 C ATOM 357 CG HIS A 21 -2.421 15.826 18.086 1.00 0.00 C ATOM 358 ND1 HIS A 21 -2.842 16.469 19.228 1.00 0.00 N ATOM 359 CD2 HIS A 21 -2.650 16.698 17.071 1.00 0.00 C ATOM 360 CE1 HIS A 21 -3.298 17.663 18.921 1.00 0.00 C ATOM 361 NE2 HIS A 21 -3.193 17.829 17.621 1.00 0.00 N ATOM 0 H HIS A 21 -0.418 12.458 17.770 1.00 0.00 H new ATOM 0 HA HIS A 21 0.216 15.157 18.342 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.795 14.067 17.060 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.497 13.770 18.637 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -2.806 16.078 20.169 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.443 16.531 16.024 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.693 18.386 19.619 1.00 0.00 H new ATOM 370 N GLN A 22 -0.937 13.318 20.800 1.00 0.00 N ATOM 371 CA GLN A 22 -1.078 13.129 22.255 1.00 0.00 C ATOM 372 C GLN A 22 0.267 13.369 22.965 1.00 0.00 C ATOM 373 O GLN A 22 0.311 13.962 24.039 1.00 0.00 O ATOM 374 CB GLN A 22 -1.604 11.706 22.516 1.00 0.00 C ATOM 375 CG GLN A 22 -1.548 11.215 23.968 1.00 0.00 C ATOM 376 CD GLN A 22 -1.804 9.712 24.103 1.00 0.00 C ATOM 377 OE1 GLN A 22 -2.382 9.255 25.084 1.00 0.00 O ATOM 378 NE2 GLN A 22 -1.300 8.923 23.156 1.00 0.00 N ATOM 0 H GLN A 22 -1.210 12.494 20.264 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.787 13.852 22.658 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.639 11.657 22.178 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.034 11.012 21.898 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.570 11.450 24.387 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.287 11.758 24.558 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.825 9.332 22.351 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.390 7.910 23.235 1.00 0.00 H new ATOM 387 N GLN A 23 1.356 12.909 22.334 1.00 0.00 N ATOM 388 CA GLN A 23 2.726 13.106 22.849 1.00 0.00 C ATOM 389 C GLN A 23 3.284 14.483 22.503 1.00 0.00 C ATOM 390 O GLN A 23 4.318 14.861 23.041 1.00 0.00 O ATOM 391 CB GLN A 23 3.645 12.014 22.292 1.00 0.00 C ATOM 392 CG GLN A 23 3.244 10.616 22.749 1.00 0.00 C ATOM 393 CD GLN A 23 4.053 9.525 22.083 1.00 0.00 C ATOM 394 OE1 GLN A 23 3.669 9.012 21.041 1.00 0.00 O ATOM 395 NE2 GLN A 23 5.184 9.174 22.672 1.00 0.00 N ATOM 0 H GLN A 23 1.317 12.392 21.456 1.00 0.00 H new ATOM 0 HA GLN A 23 2.682 13.041 23.936 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.630 12.054 21.203 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.670 12.214 22.604 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.366 10.544 23.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.187 10.459 22.536 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.469 9.627 23.541 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.772 8.451 22.258 1.00 0.00 H new ATOM 404 N ALA A 24 2.684 15.162 21.513 1.00 0.00 N ATOM 405 CA ALA A 24 2.938 16.606 21.281 1.00 0.00 C ATOM 406 C ALA A 24 2.079 17.479 22.227 1.00 0.00 C ATOM 407 O ALA A 24 2.389 18.649 22.449 1.00 0.00 O ATOM 408 CB ALA A 24 2.680 16.966 19.804 1.00 0.00 C ATOM 0 H ALA A 24 2.022 14.744 20.860 1.00 0.00 H new ATOM 0 HA ALA A 24 3.985 16.811 21.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.871 18.028 19.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.343 16.382 19.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.644 16.743 19.551 1.00 0.00 H new ATOM 414 N ASP A 25 0.996 16.881 22.775 1.00 0.00 N ATOM 415 CA ASP A 25 0.166 17.538 23.814 1.00 0.00 C ATOM 416 C ASP A 25 0.877 17.359 25.161 1.00 0.00 C ATOM 417 O ASP A 25 0.731 18.162 26.085 1.00 0.00 O ATOM 418 CB ASP A 25 -1.252 16.919 23.890 1.00 0.00 C ATOM 419 CG ASP A 25 -2.108 17.132 22.631 1.00 0.00 C ATOM 420 OD1 ASP A 25 -2.149 18.265 22.106 1.00 0.00 O ATOM 421 OD2 ASP A 25 -2.781 16.184 22.182 1.00 0.00 O ATOM 0 H ASP A 25 0.676 15.947 22.517 1.00 0.00 H new ATOM 0 HA ASP A 25 0.047 18.592 23.565 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.158 15.849 24.074 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.775 17.345 24.746 1.00 0.00 H new ATOM 426 N LEU A 26 1.633 16.254 25.229 1.00 0.00 N ATOM 427 CA LEU A 26 2.572 16.020 26.326 1.00 0.00 C ATOM 428 C LEU A 26 3.969 16.474 25.899 1.00 0.00 C ATOM 429 O LEU A 26 4.206 16.832 24.741 1.00 0.00 O ATOM 430 CB LEU A 26 2.598 14.530 26.757 1.00 0.00 C ATOM 431 CG LEU A 26 1.234 13.901 27.192 1.00 0.00 C ATOM 432 CD1 LEU A 26 1.457 12.548 27.889 1.00 0.00 C ATOM 433 CD2 LEU A 26 0.402 14.852 28.080 1.00 0.00 C ATOM 0 H LEU A 26 1.609 15.509 24.533 1.00 0.00 H new ATOM 0 HA LEU A 26 2.241 16.598 27.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.995 13.943 25.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.299 14.427 27.585 1.00 0.00 H new ATOM 0 HG LEU A 26 0.655 13.733 26.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.495 12.128 28.184 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.958 11.864 27.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.076 12.692 28.774 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.535 14.367 28.354 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.964 15.092 28.983 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.189 15.769 27.531 1.00 0.00 H new ATOM 445 N SER A 27 4.840 16.566 26.882 1.00 0.00 N ATOM 446 CA SER A 27 6.271 16.756 26.627 1.00 0.00 C ATOM 447 C SER A 27 7.067 15.952 27.660 1.00 0.00 C ATOM 448 O SER A 27 6.500 15.426 28.631 1.00 0.00 O ATOM 449 CB SER A 27 6.643 18.270 26.643 1.00 0.00 C ATOM 450 OG SER A 27 7.610 18.580 25.654 1.00 0.00 O ATOM 0 H SER A 27 4.591 16.513 27.870 1.00 0.00 H new ATOM 0 HA SER A 27 6.524 16.389 25.632 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.747 18.867 26.476 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.028 18.540 27.626 1.00 0.00 H new ATOM 0 HG SER A 27 7.820 19.537 25.690 1.00 0.00 H new ATOM 456 N LEU A 28 8.371 15.847 27.416 1.00 0.00 N ATOM 457 CA LEU A 28 9.317 15.150 28.294 1.00 0.00 C ATOM 458 C LEU A 28 9.360 15.832 29.679 1.00 0.00 C ATOM 459 O LEU A 28 9.196 15.183 30.707 1.00 0.00 O ATOM 460 CB LEU A 28 10.708 15.124 27.573 1.00 0.00 C ATOM 461 CG LEU A 28 11.880 14.262 28.172 1.00 0.00 C ATOM 462 CD1 LEU A 28 12.522 14.882 29.436 1.00 0.00 C ATOM 463 CD2 LEU A 28 11.413 12.821 28.427 1.00 0.00 C ATOM 0 H LEU A 28 8.811 16.250 26.589 1.00 0.00 H new ATOM 0 HA LEU A 28 9.008 14.121 28.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.540 14.780 26.552 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.061 16.153 27.508 1.00 0.00 H new ATOM 0 HG LEU A 28 12.670 14.249 27.421 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.322 14.233 29.793 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.931 15.863 29.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.766 14.987 30.214 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.237 12.240 28.841 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.582 12.827 29.133 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.088 12.372 27.488 1.00 0.00 H new ATOM 475 N VAL A 29 9.544 17.153 29.685 1.00 0.00 N ATOM 476 CA VAL A 29 9.726 17.921 30.932 1.00 0.00 C ATOM 477 C VAL A 29 8.430 17.945 31.786 1.00 0.00 C ATOM 478 O VAL A 29 8.495 17.802 33.010 1.00 0.00 O ATOM 479 CB VAL A 29 10.217 19.387 30.632 1.00 0.00 C ATOM 480 CG1 VAL A 29 10.390 20.221 31.926 1.00 0.00 C ATOM 481 CG2 VAL A 29 11.532 19.369 29.813 1.00 0.00 C ATOM 0 H VAL A 29 9.572 17.722 28.839 1.00 0.00 H new ATOM 0 HA VAL A 29 10.497 17.413 31.511 1.00 0.00 H new ATOM 0 HB VAL A 29 9.441 19.870 30.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.730 21.224 31.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.436 20.284 32.449 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.127 19.743 32.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.853 20.392 29.617 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.305 18.848 30.378 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.364 18.854 28.867 1.00 0.00 H new ATOM 491 N GLU A 30 7.258 18.104 31.133 1.00 0.00 N ATOM 492 CA GLU A 30 5.967 18.253 31.853 1.00 0.00 C ATOM 493 C GLU A 30 5.371 16.898 32.283 1.00 0.00 C ATOM 494 O GLU A 30 4.775 16.805 33.358 1.00 0.00 O ATOM 495 CB GLU A 30 4.929 19.033 30.997 1.00 0.00 C ATOM 496 CG GLU A 30 4.621 18.371 29.650 1.00 0.00 C ATOM 497 CD GLU A 30 3.599 19.132 28.793 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.984 20.116 28.132 1.00 0.00 O ATOM 499 OE2 GLU A 30 2.410 18.739 28.767 1.00 0.00 O ATOM 0 H GLU A 30 7.176 18.133 30.117 1.00 0.00 H new ATOM 0 HA GLU A 30 6.188 18.823 32.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.003 19.131 31.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.302 20.042 30.819 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.549 18.272 29.086 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.248 17.363 29.830 1.00 0.00 H new ATOM 506 N ALA A 31 5.525 15.851 31.450 1.00 0.00 N ATOM 507 CA ALA A 31 4.815 14.575 31.657 1.00 0.00 C ATOM 508 C ALA A 31 5.610 13.381 31.106 1.00 0.00 C ATOM 509 O ALA A 31 5.134 12.696 30.224 1.00 0.00 O ATOM 510 CB ALA A 31 3.404 14.649 31.026 1.00 0.00 C ATOM 0 H ALA A 31 6.132 15.864 30.631 1.00 0.00 H new ATOM 0 HA ALA A 31 4.712 14.414 32.730 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.885 13.703 31.183 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.838 15.455 31.493 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.493 14.841 29.957 1.00 0.00 H new ATOM 516 N ALA A 32 6.784 13.103 31.696 1.00 0.00 N ATOM 517 CA ALA A 32 7.617 11.921 31.370 1.00 0.00 C ATOM 518 C ALA A 32 7.341 10.921 32.478 1.00 0.00 C ATOM 519 O ALA A 32 7.532 11.273 33.648 1.00 0.00 O ATOM 520 CB ALA A 32 9.112 12.253 31.324 1.00 0.00 C ATOM 0 H ALA A 32 7.190 13.695 32.421 1.00 0.00 H new ATOM 0 HA ALA A 32 7.367 11.539 30.380 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.677 11.353 31.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.293 13.012 30.563 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.431 12.631 32.295 1.00 0.00 H new ATOM 526 N ASP A 33 6.981 9.680 32.146 1.00 0.00 N ATOM 527 CA ASP A 33 6.180 8.711 32.876 1.00 0.00 C ATOM 528 C ASP A 33 5.099 8.339 31.853 1.00 0.00 C ATOM 529 O ASP A 33 5.239 7.363 31.133 1.00 0.00 O ATOM 530 CB ASP A 33 5.559 9.182 34.228 1.00 0.00 C ATOM 531 CG ASP A 33 4.690 8.098 34.901 1.00 0.00 C ATOM 532 OD1 ASP A 33 5.252 7.179 35.537 1.00 0.00 O ATOM 533 OD2 ASP A 33 3.442 8.155 34.783 1.00 0.00 O ATOM 0 H ASP A 33 7.283 9.290 31.253 1.00 0.00 H new ATOM 0 HA ASP A 33 6.806 7.887 33.219 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.360 9.472 34.908 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.952 10.070 34.053 1.00 0.00 H new ATOM 538 N LYS A 34 4.051 9.179 31.788 1.00 0.00 N ATOM 539 CA LYS A 34 3.063 9.173 30.677 1.00 0.00 C ATOM 540 C LYS A 34 3.750 9.213 29.285 1.00 0.00 C ATOM 541 O LYS A 34 3.483 8.352 28.446 1.00 0.00 O ATOM 542 CB LYS A 34 2.042 10.358 30.844 1.00 0.00 C ATOM 543 CG LYS A 34 0.541 9.965 30.727 1.00 0.00 C ATOM 544 CD LYS A 34 0.192 9.278 29.386 1.00 0.00 C ATOM 545 CE LYS A 34 -1.306 8.972 29.226 1.00 0.00 C ATOM 546 NZ LYS A 34 -2.126 10.206 29.249 1.00 0.00 N ATOM 0 H LYS A 34 3.859 9.883 32.500 1.00 0.00 H new ATOM 0 HA LYS A 34 2.513 8.233 30.729 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.204 10.821 31.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.262 11.114 30.091 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.282 9.296 31.548 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.072 10.860 30.839 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.514 9.918 28.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.755 8.348 29.306 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.471 8.444 28.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.628 8.306 30.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.102 9.979 28.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.123 10.607 30.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.729 10.899 28.583 1.00 0.00 H new ATOM 560 N TYR A 35 4.676 10.175 29.088 1.00 0.00 N ATOM 561 CA TYR A 35 5.391 10.337 27.792 1.00 0.00 C ATOM 562 C TYR A 35 6.253 9.093 27.528 1.00 0.00 C ATOM 563 O TYR A 35 6.340 8.634 26.393 1.00 0.00 O ATOM 564 CB TYR A 35 6.266 11.631 27.750 1.00 0.00 C ATOM 565 CG TYR A 35 7.071 11.832 26.459 1.00 0.00 C ATOM 566 CD1 TYR A 35 6.436 12.139 25.259 1.00 0.00 C ATOM 567 CD2 TYR A 35 8.465 11.698 26.441 1.00 0.00 C ATOM 568 CE1 TYR A 35 7.155 12.293 24.099 1.00 0.00 C ATOM 569 CE2 TYR A 35 9.183 11.843 25.279 1.00 0.00 C ATOM 570 CZ TYR A 35 8.529 12.145 24.115 1.00 0.00 C ATOM 571 OH TYR A 35 9.252 12.269 22.953 1.00 0.00 O ATOM 0 H TYR A 35 4.949 10.851 29.802 1.00 0.00 H new ATOM 0 HA TYR A 35 4.642 10.443 27.007 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.617 12.495 27.893 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.958 11.610 28.592 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.363 12.258 25.240 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.987 11.476 27.360 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.647 12.529 23.176 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.256 11.720 25.284 1.00 0.00 H new ATOM 0 HH TYR A 35 10.204 12.136 23.144 1.00 0.00 H new ATOM 581 N ALA A 36 6.835 8.542 28.615 1.00 0.00 N ATOM 582 CA ALA A 36 7.691 7.342 28.568 1.00 0.00 C ATOM 583 C ALA A 36 6.919 6.130 28.025 1.00 0.00 C ATOM 584 O ALA A 36 7.373 5.478 27.074 1.00 0.00 O ATOM 585 CB ALA A 36 8.283 7.045 29.955 1.00 0.00 C ATOM 0 H ALA A 36 6.722 8.922 29.555 1.00 0.00 H new ATOM 0 HA ALA A 36 8.515 7.541 27.882 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.911 6.156 29.900 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.883 7.894 30.284 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.475 6.874 30.666 1.00 0.00 H new ATOM 591 N GLU A 37 5.741 5.837 28.617 1.00 0.00 N ATOM 592 CA GLU A 37 4.835 4.779 28.164 1.00 0.00 C ATOM 593 C GLU A 37 4.455 4.983 26.703 1.00 0.00 C ATOM 594 O GLU A 37 4.701 4.131 25.894 1.00 0.00 O ATOM 595 CB GLU A 37 3.550 4.736 29.035 1.00 0.00 C ATOM 596 CG GLU A 37 3.794 4.633 30.549 1.00 0.00 C ATOM 597 CD GLU A 37 4.697 3.452 30.941 1.00 0.00 C ATOM 598 OE1 GLU A 37 4.269 2.290 30.772 1.00 0.00 O ATOM 599 OE2 GLU A 37 5.840 3.678 31.402 1.00 0.00 O ATOM 0 H GLU A 37 5.395 6.340 29.434 1.00 0.00 H new ATOM 0 HA GLU A 37 5.360 3.829 28.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.965 5.634 28.837 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.945 3.885 28.721 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.247 5.560 30.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.836 4.533 31.058 1.00 0.00 H new ATOM 606 N LEU A 38 3.861 6.141 26.428 1.00 0.00 N ATOM 607 CA LEU A 38 3.406 6.508 25.069 1.00 0.00 C ATOM 608 C LEU A 38 4.517 6.332 23.990 1.00 0.00 C ATOM 609 O LEU A 38 4.211 6.009 22.849 1.00 0.00 O ATOM 610 CB LEU A 38 2.864 7.941 25.058 1.00 0.00 C ATOM 611 CG LEU A 38 1.623 8.207 25.956 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.196 9.677 25.864 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.450 7.247 25.634 1.00 0.00 C ATOM 0 H LEU A 38 3.677 6.857 27.131 1.00 0.00 H new ATOM 0 HA LEU A 38 2.605 5.818 24.806 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.664 8.613 25.369 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.608 8.204 24.032 1.00 0.00 H new ATOM 0 HG LEU A 38 1.912 8.002 26.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.326 9.844 26.499 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.015 10.315 26.196 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.943 9.918 24.832 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.394 7.472 26.287 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.149 7.376 24.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.768 6.217 25.794 1.00 0.00 H new ATOM 625 N GLU A 39 5.782 6.602 24.376 1.00 0.00 N ATOM 626 CA GLU A 39 6.988 6.285 23.564 1.00 0.00 C ATOM 627 C GLU A 39 7.134 4.766 23.309 1.00 0.00 C ATOM 628 O GLU A 39 7.455 4.355 22.192 1.00 0.00 O ATOM 629 CB GLU A 39 8.274 6.834 24.263 1.00 0.00 C ATOM 630 CG GLU A 39 8.495 8.349 24.125 1.00 0.00 C ATOM 631 CD GLU A 39 8.784 8.778 22.677 1.00 0.00 C ATOM 632 OE1 GLU A 39 9.896 8.513 22.190 1.00 0.00 O ATOM 633 OE2 GLU A 39 7.914 9.382 22.023 1.00 0.00 O ATOM 0 H GLU A 39 6.002 7.049 25.266 1.00 0.00 H new ATOM 0 HA GLU A 39 6.864 6.773 22.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.227 6.584 25.323 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.141 6.317 23.852 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.611 8.875 24.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.327 8.650 24.762 1.00 0.00 H new ATOM 640 N LYS A 40 6.924 3.950 24.356 1.00 0.00 N ATOM 641 CA LYS A 40 7.038 2.471 24.267 1.00 0.00 C ATOM 642 C LYS A 40 5.847 1.857 23.482 1.00 0.00 C ATOM 643 O LYS A 40 6.037 0.995 22.637 1.00 0.00 O ATOM 644 CB LYS A 40 7.124 1.848 25.686 1.00 0.00 C ATOM 645 CG LYS A 40 8.262 2.405 26.567 1.00 0.00 C ATOM 646 CD LYS A 40 8.414 1.705 27.946 1.00 0.00 C ATOM 647 CE LYS A 40 7.222 1.905 28.900 1.00 0.00 C ATOM 648 NZ LYS A 40 5.980 1.177 28.496 1.00 0.00 N ATOM 0 H LYS A 40 6.672 4.287 25.285 1.00 0.00 H new ATOM 0 HA LYS A 40 7.954 2.240 23.723 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.175 2.010 26.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.253 0.770 25.588 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.202 2.315 26.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.089 3.469 26.731 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.557 0.637 27.783 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.317 2.077 28.430 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.512 1.578 29.898 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.999 2.970 28.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.511 0.794 29.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.336 1.833 28.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.228 0.397 27.855 1.00 0.00 H new ATOM 662 N GLU A 41 4.625 2.271 23.846 1.00 0.00 N ATOM 663 CA GLU A 41 3.376 1.907 23.131 1.00 0.00 C ATOM 664 C GLU A 41 3.469 2.262 21.629 1.00 0.00 C ATOM 665 O GLU A 41 3.010 1.507 20.762 1.00 0.00 O ATOM 666 CB GLU A 41 2.141 2.623 23.769 1.00 0.00 C ATOM 667 CG GLU A 41 2.040 2.588 25.324 1.00 0.00 C ATOM 668 CD GLU A 41 2.545 1.285 25.984 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.824 0.269 25.952 1.00 0.00 O ATOM 670 OE2 GLU A 41 3.677 1.279 26.543 1.00 0.00 O ATOM 0 H GLU A 41 4.466 2.875 24.653 1.00 0.00 H new ATOM 0 HA GLU A 41 3.247 0.829 23.226 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.150 3.666 23.452 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.237 2.173 23.359 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.608 3.426 25.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.999 2.742 25.609 1.00 0.00 H new ATOM 677 N LYS A 42 4.057 3.443 21.372 1.00 0.00 N ATOM 678 CA LYS A 42 4.432 3.873 20.013 1.00 0.00 C ATOM 679 C LYS A 42 5.410 2.844 19.408 1.00 0.00 C ATOM 680 O LYS A 42 5.167 2.345 18.329 1.00 0.00 O ATOM 681 CB LYS A 42 5.091 5.280 19.991 1.00 0.00 C ATOM 682 CG LYS A 42 5.536 5.760 18.582 1.00 0.00 C ATOM 683 CD LYS A 42 6.556 6.919 18.625 1.00 0.00 C ATOM 684 CE LYS A 42 5.990 8.202 19.232 1.00 0.00 C ATOM 685 NZ LYS A 42 7.010 9.274 19.321 1.00 0.00 N ATOM 0 H LYS A 42 4.285 4.124 22.096 1.00 0.00 H new ATOM 0 HA LYS A 42 3.516 3.933 19.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.387 6.004 20.402 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.960 5.271 20.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.973 4.921 18.041 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.658 6.079 18.020 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.426 6.606 19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.902 7.127 17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.152 8.549 18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.600 7.990 20.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.582 10.183 19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.368 9.333 20.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.797 9.059 18.676 1.00 0.00 H new ATOM 699 N ALA A 43 6.493 2.542 20.155 1.00 0.00 N ATOM 700 CA ALA A 43 7.589 1.630 19.722 1.00 0.00 C ATOM 701 C ALA A 43 7.074 0.242 19.277 1.00 0.00 C ATOM 702 O ALA A 43 7.507 -0.274 18.234 1.00 0.00 O ATOM 703 CB ALA A 43 8.653 1.491 20.827 1.00 0.00 C ATOM 0 H ALA A 43 6.639 2.926 21.089 1.00 0.00 H new ATOM 0 HA ALA A 43 8.049 2.088 18.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.443 0.821 20.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.078 2.470 21.048 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.192 1.084 21.727 1.00 0.00 H new ATOM 709 N THR A 44 6.129 -0.353 20.033 1.00 0.00 N ATOM 710 CA THR A 44 5.465 -1.622 19.730 1.00 0.00 C ATOM 711 C THR A 44 4.542 -1.476 18.516 1.00 0.00 C ATOM 712 O THR A 44 4.476 -2.379 17.695 1.00 0.00 O ATOM 713 CB THR A 44 4.650 -2.129 20.967 1.00 0.00 C ATOM 714 OG1 THR A 44 5.530 -2.315 22.086 1.00 0.00 O ATOM 715 CG2 THR A 44 3.904 -3.445 20.692 1.00 0.00 C ATOM 0 H THR A 44 5.799 0.060 20.905 1.00 0.00 H new ATOM 0 HA THR A 44 6.235 -2.356 19.495 1.00 0.00 H new ATOM 0 HB THR A 44 3.903 -1.366 21.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.015 -2.631 22.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.357 -3.747 21.585 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.204 -3.301 19.869 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.622 -4.221 20.426 1.00 0.00 H new ATOM 723 N LEU A 45 3.791 -0.351 18.468 1.00 0.00 N ATOM 724 CA LEU A 45 3.048 -0.022 17.224 1.00 0.00 C ATOM 725 C LEU A 45 3.997 -0.073 16.011 1.00 0.00 C ATOM 726 O LEU A 45 3.711 -0.772 15.066 1.00 0.00 O ATOM 727 CB LEU A 45 2.284 1.337 17.255 1.00 0.00 C ATOM 728 CG LEU A 45 0.853 1.333 17.884 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.196 2.721 17.754 1.00 0.00 C ATOM 730 CD2 LEU A 45 -0.041 0.228 17.258 1.00 0.00 C ATOM 0 H LEU A 45 3.683 0.316 19.233 1.00 0.00 H new ATOM 0 HA LEU A 45 2.274 -0.785 17.138 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.893 2.055 17.804 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.203 1.703 16.232 1.00 0.00 H new ATOM 0 HG LEU A 45 0.956 1.104 18.945 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.799 2.696 18.198 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.805 3.462 18.271 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.116 2.989 16.700 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.028 0.254 17.719 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.136 0.401 16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.413 -0.748 17.429 1.00 0.00 H new ATOM 742 N GLU A 46 5.160 0.606 16.074 1.00 0.00 N ATOM 743 CA GLU A 46 6.167 0.653 14.996 1.00 0.00 C ATOM 744 C GLU A 46 6.788 -0.727 14.723 1.00 0.00 C ATOM 745 O GLU A 46 7.114 -1.037 13.574 1.00 0.00 O ATOM 746 CB GLU A 46 7.275 1.675 15.358 1.00 0.00 C ATOM 747 CG GLU A 46 6.732 3.069 15.688 1.00 0.00 C ATOM 748 CD GLU A 46 7.820 4.074 16.091 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.379 3.938 17.198 1.00 0.00 O ATOM 750 OE2 GLU A 46 8.116 5.002 15.306 1.00 0.00 O ATOM 0 H GLU A 46 5.431 1.149 16.894 1.00 0.00 H new ATOM 0 HA GLU A 46 5.661 0.966 14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.839 1.301 16.213 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.973 1.753 14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.196 3.455 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.009 2.985 16.499 1.00 0.00 H new ATOM 757 N ALA A 47 6.846 -1.593 15.759 1.00 0.00 N ATOM 758 CA ALA A 47 7.498 -2.913 15.703 1.00 0.00 C ATOM 759 C ALA A 47 6.582 -3.893 14.978 1.00 0.00 C ATOM 760 O ALA A 47 7.005 -4.596 14.059 1.00 0.00 O ATOM 761 CB ALA A 47 7.814 -3.412 17.126 1.00 0.00 C ATOM 0 H ALA A 47 6.434 -1.388 16.669 1.00 0.00 H new ATOM 0 HA ALA A 47 8.438 -2.834 15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.296 -4.388 17.071 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.482 -2.706 17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.889 -3.496 17.696 1.00 0.00 H new ATOM 767 N GLU A 48 5.317 -3.906 15.418 1.00 0.00 N ATOM 768 CA GLU A 48 4.172 -4.618 14.855 1.00 0.00 C ATOM 769 C GLU A 48 3.918 -4.220 13.397 1.00 0.00 C ATOM 770 O GLU A 48 4.033 -5.034 12.520 1.00 0.00 O ATOM 771 CB GLU A 48 2.924 -4.259 15.727 1.00 0.00 C ATOM 772 CG GLU A 48 1.589 -4.871 15.272 1.00 0.00 C ATOM 773 CD GLU A 48 1.412 -6.330 15.733 1.00 0.00 C ATOM 774 OE1 GLU A 48 1.969 -7.247 15.103 1.00 0.00 O ATOM 775 OE2 GLU A 48 0.741 -6.564 16.755 1.00 0.00 O ATOM 0 H GLU A 48 5.051 -3.373 16.246 1.00 0.00 H new ATOM 0 HA GLU A 48 4.370 -5.690 14.864 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.117 -4.577 16.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.817 -3.174 15.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.768 -4.270 15.662 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.527 -4.829 14.185 1.00 0.00 H new ATOM 782 N ILE A 49 3.569 -2.939 13.217 1.00 0.00 N ATOM 783 CA ILE A 49 3.142 -2.440 11.887 1.00 0.00 C ATOM 784 C ILE A 49 4.247 -2.666 10.826 1.00 0.00 C ATOM 785 O ILE A 49 3.923 -3.040 9.696 1.00 0.00 O ATOM 786 CB ILE A 49 2.622 -0.945 11.868 1.00 0.00 C ATOM 787 CG1 ILE A 49 3.791 0.082 12.057 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.486 -0.741 12.918 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.361 1.529 12.195 1.00 0.00 C ATOM 0 H ILE A 49 3.571 -2.235 13.955 1.00 0.00 H new ATOM 0 HA ILE A 49 2.269 -3.039 11.628 1.00 0.00 H new ATOM 0 HB ILE A 49 2.198 -0.751 10.883 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.360 -0.198 12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.467 -0.000 11.206 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.144 0.293 12.887 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.653 -1.406 12.687 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.866 -0.968 13.914 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.241 2.160 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.821 1.835 11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.712 1.634 13.064 1.00 0.00 H new ATOM 801 N ALA A 50 5.550 -2.449 11.160 1.00 0.00 N ATOM 802 CA ALA A 50 6.674 -2.792 10.275 1.00 0.00 C ATOM 803 C ALA A 50 6.902 -4.316 10.119 1.00 0.00 C ATOM 804 O ALA A 50 7.371 -4.746 9.067 1.00 0.00 O ATOM 805 CB ALA A 50 7.947 -2.100 10.772 1.00 0.00 C ATOM 0 H ALA A 50 5.838 -2.034 12.046 1.00 0.00 H new ATOM 0 HA ALA A 50 6.416 -2.431 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.779 -2.355 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.799 -1.020 10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.170 -2.432 11.786 1.00 0.00 H new ATOM 811 N ARG A 51 6.610 -5.127 11.167 1.00 0.00 N ATOM 812 CA ARG A 51 6.658 -6.614 11.094 1.00 0.00 C ATOM 813 C ARG A 51 5.603 -7.133 10.104 1.00 0.00 C ATOM 814 O ARG A 51 5.880 -8.005 9.294 1.00 0.00 O ATOM 815 CB ARG A 51 6.442 -7.258 12.493 1.00 0.00 C ATOM 816 CG ARG A 51 6.570 -8.802 12.533 1.00 0.00 C ATOM 817 CD ARG A 51 7.998 -9.294 12.268 1.00 0.00 C ATOM 818 NE ARG A 51 8.084 -10.764 12.190 1.00 0.00 N ATOM 819 CZ ARG A 51 9.169 -11.465 11.824 1.00 0.00 C ATOM 820 NH1 ARG A 51 10.304 -10.858 11.490 1.00 0.00 N ATOM 821 NH2 ARG A 51 9.114 -12.782 11.799 1.00 0.00 N ATOM 0 H ARG A 51 6.336 -4.773 12.083 1.00 0.00 H new ATOM 0 HA ARG A 51 7.649 -6.899 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.165 -6.831 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.451 -6.982 12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.243 -9.163 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.899 -9.236 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.360 -8.862 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.655 -8.936 13.061 1.00 0.00 H new ATOM 0 HE ARG A 51 7.247 -11.294 12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.363 -9.840 11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.116 -11.411 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.251 -13.261 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.934 -13.322 11.522 1.00 0.00 H new ATOM 835 N LEU A 52 4.389 -6.593 10.238 1.00 0.00 N ATOM 836 CA LEU A 52 3.300 -6.732 9.265 1.00 0.00 C ATOM 837 C LEU A 52 3.832 -6.403 7.871 1.00 0.00 C ATOM 838 O LEU A 52 3.712 -7.210 6.955 1.00 0.00 O ATOM 839 CB LEU A 52 2.080 -5.806 9.625 1.00 0.00 C ATOM 840 CG LEU A 52 0.957 -6.426 10.519 1.00 0.00 C ATOM 841 CD1 LEU A 52 0.255 -7.592 9.804 1.00 0.00 C ATOM 842 CD2 LEU A 52 1.498 -6.859 11.892 1.00 0.00 C ATOM 0 H LEU A 52 4.128 -6.031 11.048 1.00 0.00 H new ATOM 0 HA LEU A 52 2.939 -7.760 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.465 -4.920 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.624 -5.469 8.694 1.00 0.00 H new ATOM 0 HG LEU A 52 0.215 -5.647 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.520 -8.002 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.197 -7.233 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.984 -8.369 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.688 -7.285 12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.280 -7.606 11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.910 -5.993 12.410 1.00 0.00 H new ATOM 854 N ARG A 53 4.486 -5.237 7.736 1.00 0.00 N ATOM 855 CA ARG A 53 5.014 -4.731 6.470 1.00 0.00 C ATOM 856 C ARG A 53 6.350 -5.388 6.052 1.00 0.00 C ATOM 857 O ARG A 53 6.867 -5.046 4.994 1.00 0.00 O ATOM 858 CB ARG A 53 5.161 -3.192 6.532 1.00 0.00 C ATOM 859 CG ARG A 53 3.829 -2.397 6.539 1.00 0.00 C ATOM 860 CD ARG A 53 4.084 -0.881 6.550 1.00 0.00 C ATOM 861 NE ARG A 53 4.941 -0.491 5.406 1.00 0.00 N ATOM 862 CZ ARG A 53 5.726 0.591 5.332 1.00 0.00 C ATOM 863 NH1 ARG A 53 5.791 1.457 6.328 1.00 0.00 N ATOM 864 NH2 ARG A 53 6.444 0.808 4.237 1.00 0.00 N ATOM 0 H ARG A 53 4.663 -4.612 8.523 1.00 0.00 H new ATOM 0 HA ARG A 53 4.291 -5.002 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.724 -2.933 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.755 -2.866 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.240 -2.663 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.241 -2.676 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.135 -0.346 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.563 -0.594 7.486 1.00 0.00 H new ATOM 0 HE ARG A 53 4.932 -1.108 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.237 1.307 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.395 2.276 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.396 0.152 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.044 1.631 4.175 1.00 0.00 H new ATOM 878 N GLU A 54 6.935 -6.295 6.874 1.00 0.00 N ATOM 879 CA GLU A 54 8.101 -7.116 6.428 1.00 0.00 C ATOM 880 C GLU A 54 7.625 -8.517 5.994 1.00 0.00 C ATOM 881 O GLU A 54 8.223 -9.133 5.132 1.00 0.00 O ATOM 882 CB GLU A 54 9.236 -7.182 7.484 1.00 0.00 C ATOM 883 CG GLU A 54 9.037 -8.181 8.630 1.00 0.00 C ATOM 884 CD GLU A 54 10.220 -8.186 9.607 1.00 0.00 C ATOM 885 OE1 GLU A 54 11.181 -8.953 9.396 1.00 0.00 O ATOM 886 OE2 GLU A 54 10.203 -7.412 10.582 1.00 0.00 O ATOM 0 H GLU A 54 6.631 -6.478 7.830 1.00 0.00 H new ATOM 0 HA GLU A 54 8.544 -6.619 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.166 -7.429 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.362 -6.188 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.123 -7.934 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.904 -9.181 8.218 1.00 0.00 H new ATOM 893 N VAL A 55 6.537 -8.996 6.613 1.00 0.00 N ATOM 894 CA VAL A 55 5.728 -10.123 6.076 1.00 0.00 C ATOM 895 C VAL A 55 5.044 -9.646 4.767 1.00 0.00 C ATOM 896 O VAL A 55 4.802 -10.423 3.841 1.00 0.00 O ATOM 897 CB VAL A 55 4.660 -10.618 7.137 1.00 0.00 C ATOM 898 CG1 VAL A 55 3.774 -11.759 6.582 1.00 0.00 C ATOM 899 CG2 VAL A 55 5.356 -11.053 8.455 1.00 0.00 C ATOM 0 H VAL A 55 6.186 -8.623 7.495 1.00 0.00 H new ATOM 0 HA VAL A 55 6.374 -10.975 5.864 1.00 0.00 H new ATOM 0 HB VAL A 55 4.003 -9.775 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.057 -12.066 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.238 -11.408 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.402 -12.608 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.605 -11.389 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.050 -11.868 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.903 -10.208 8.874 1.00 0.00 H new ATOM 909 N HIS A 56 4.830 -8.311 4.720 1.00 0.00 N ATOM 910 CA HIS A 56 4.320 -7.626 3.517 1.00 0.00 C ATOM 911 C HIS A 56 5.511 -6.907 2.823 1.00 0.00 C ATOM 912 O HIS A 56 5.361 -5.809 2.289 1.00 0.00 O ATOM 913 CB HIS A 56 3.177 -6.622 3.850 1.00 0.00 C ATOM 914 CG HIS A 56 1.882 -7.232 4.331 1.00 0.00 C ATOM 915 ND1 HIS A 56 0.676 -6.571 4.251 1.00 0.00 N ATOM 916 CD2 HIS A 56 1.606 -8.433 4.903 1.00 0.00 C ATOM 917 CE1 HIS A 56 -0.278 -7.329 4.746 1.00 0.00 C ATOM 918 NE2 HIS A 56 0.257 -8.464 5.148 1.00 0.00 N ATOM 0 H HIS A 56 5.005 -7.687 5.508 1.00 0.00 H new ATOM 0 HA HIS A 56 3.885 -8.366 2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.537 -5.932 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.968 -6.030 2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.316 -9.216 5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.323 -7.066 4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.250 -9.240 5.573 1.00 0.00 H new ATOM 927 N SER A 57 6.706 -7.555 2.841 1.00 0.00 N ATOM 928 CA SER A 57 7.908 -7.111 2.087 1.00 0.00 C ATOM 929 C SER A 57 8.597 -8.349 1.488 1.00 0.00 C ATOM 930 O SER A 57 8.836 -8.416 0.276 1.00 0.00 O ATOM 931 CB SER A 57 8.886 -6.330 2.989 1.00 0.00 C ATOM 932 OG SER A 57 10.046 -5.914 2.292 1.00 0.00 O ATOM 0 H SER A 57 6.863 -8.405 3.382 1.00 0.00 H new ATOM 0 HA SER A 57 7.598 -6.434 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.379 -5.457 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.177 -6.956 3.833 1.00 0.00 H new ATOM 0 HG SER A 57 10.635 -5.422 2.902 1.00 0.00 H new ATOM 938 N GLN A 58 8.931 -9.319 2.373 1.00 0.00 N ATOM 939 CA GLN A 58 9.351 -10.691 1.989 1.00 0.00 C ATOM 940 C GLN A 58 8.302 -11.288 1.033 1.00 0.00 C ATOM 941 O GLN A 58 8.624 -11.937 0.043 1.00 0.00 O ATOM 942 CB GLN A 58 9.474 -11.584 3.257 1.00 0.00 C ATOM 943 CG GLN A 58 10.487 -11.088 4.319 1.00 0.00 C ATOM 944 CD GLN A 58 10.362 -11.804 5.676 1.00 0.00 C ATOM 945 OE1 GLN A 58 9.993 -12.980 5.748 1.00 0.00 O ATOM 946 NE2 GLN A 58 10.638 -11.090 6.766 1.00 0.00 N ATOM 0 H GLN A 58 8.917 -9.171 3.382 1.00 0.00 H new ATOM 0 HA GLN A 58 10.321 -10.649 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.492 -11.662 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.760 -12.589 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.498 -11.227 3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.348 -10.017 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.941 -10.120 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.546 -11.513 7.690 1.00 0.00 H new ATOM 955 N LYS A 59 7.026 -11.056 1.392 1.00 0.00 N ATOM 956 CA LYS A 59 5.870 -11.275 0.526 1.00 0.00 C ATOM 957 C LYS A 59 5.180 -9.910 0.398 1.00 0.00 C ATOM 958 O LYS A 59 4.199 -9.662 1.095 1.00 0.00 O ATOM 959 CB LYS A 59 4.885 -12.355 1.107 1.00 0.00 C ATOM 960 CG LYS A 59 5.463 -13.783 1.322 1.00 0.00 C ATOM 961 CD LYS A 59 6.366 -13.906 2.577 1.00 0.00 C ATOM 962 CE LYS A 59 6.960 -15.314 2.750 1.00 0.00 C ATOM 963 NZ LYS A 59 7.925 -15.373 3.884 1.00 0.00 N ATOM 0 H LYS A 59 6.772 -10.703 2.315 1.00 0.00 H new ATOM 0 HA LYS A 59 6.184 -11.664 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.508 -11.993 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.029 -12.432 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.638 -14.490 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.038 -14.069 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.177 -13.181 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.785 -13.651 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.155 -16.029 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.462 -15.612 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.303 -16.338 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.706 -14.709 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.440 -15.113 4.767 1.00 0.00 H new ATOM 977 N LEU A 60 5.767 -9.013 -0.448 1.00 0.00 N ATOM 978 CA LEU A 60 5.376 -7.565 -0.563 1.00 0.00 C ATOM 979 C LEU A 60 3.850 -7.393 -0.577 1.00 0.00 C ATOM 980 O LEU A 60 3.288 -6.604 0.187 1.00 0.00 O ATOM 981 CB LEU A 60 6.041 -6.893 -1.820 1.00 0.00 C ATOM 982 CG LEU A 60 6.034 -5.303 -1.904 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.140 -4.781 -2.854 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.661 -4.708 -2.326 1.00 0.00 C ATOM 0 H LEU A 60 6.529 -9.271 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 60 5.752 -7.053 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.078 -7.226 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.541 -7.277 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 60 6.235 -4.963 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.107 -3.692 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.115 -5.103 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.978 -5.180 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.731 -3.621 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.388 -5.087 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.900 -4.999 -1.601 1.00 0.00 H new ATOM 996 N SER A 61 3.232 -8.175 -1.443 1.00 0.00 N ATOM 997 CA SER A 61 1.776 -8.272 -1.620 1.00 0.00 C ATOM 998 C SER A 61 1.549 -9.404 -2.626 1.00 0.00 C ATOM 999 O SER A 61 2.516 -9.800 -3.270 1.00 0.00 O ATOM 1000 CB SER A 61 1.182 -6.932 -2.124 1.00 0.00 C ATOM 1001 OG SER A 61 -0.237 -6.927 -2.048 1.00 0.00 O ATOM 0 H SER A 61 3.744 -8.791 -2.075 1.00 0.00 H new ATOM 0 HA SER A 61 1.273 -8.482 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.582 -6.110 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.492 -6.761 -3.155 1.00 0.00 H new ATOM 0 HG SER A 61 -0.579 -6.067 -2.372 1.00 0.00 H new ATOM 1007 N LYS A 62 0.315 -9.940 -2.765 1.00 0.00 N ATOM 1008 CA LYS A 62 0.066 -11.085 -3.679 1.00 0.00 C ATOM 1009 C LYS A 62 0.620 -10.787 -5.104 1.00 0.00 C ATOM 1010 O LYS A 62 1.651 -11.344 -5.515 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.447 -11.440 -3.774 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.094 -11.854 -2.445 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.591 -12.223 -2.596 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.271 -12.497 -1.244 1.00 0.00 C ATOM 1015 NZ LYS A 62 -3.666 -13.643 -0.521 1.00 0.00 N ATOM 0 H LYS A 62 -0.511 -9.608 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 62 0.590 -11.943 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.984 -10.579 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.571 -12.251 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.554 -12.707 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.996 -11.038 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.112 -11.411 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.682 -13.105 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.206 -11.605 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.330 -12.694 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.172 -13.795 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.736 -14.499 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.666 -13.439 -0.323 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.124 -9.940 -5.835 1.00 0.00 N ATOM 1030 CA GLU A 63 0.149 -9.436 -7.189 1.00 0.00 C ATOM 1031 C GLU A 63 1.632 -9.023 -7.412 1.00 0.00 C ATOM 1032 O GLU A 63 2.244 -9.496 -8.364 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.804 -8.238 -7.482 1.00 0.00 C ATOM 1034 CG GLU A 63 -0.918 -7.848 -8.967 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.445 -8.994 -9.844 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.482 -9.607 -9.491 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.845 -9.289 -10.887 1.00 0.00 O ATOM 0 H GLU A 63 -0.997 -9.562 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.036 -10.253 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.798 -8.484 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.458 -7.371 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.582 -6.989 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.061 -7.537 -9.333 1.00 0.00 H new ATOM 1044 N ALA A 64 2.197 -8.161 -6.529 1.00 0.00 N ATOM 1045 CA ALA A 64 3.592 -7.644 -6.663 1.00 0.00 C ATOM 1046 C ALA A 64 4.635 -8.774 -6.497 1.00 0.00 C ATOM 1047 O ALA A 64 5.537 -8.923 -7.317 1.00 0.00 O ATOM 1048 CB ALA A 64 3.853 -6.506 -5.647 1.00 0.00 C ATOM 0 H ALA A 64 1.707 -7.804 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 64 3.699 -7.241 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.875 -6.144 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.155 -5.689 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.713 -6.883 -4.634 1.00 0.00 H new ATOM 1054 N GLN A 65 4.543 -9.473 -5.351 1.00 0.00 N ATOM 1055 CA GLN A 65 5.421 -10.653 -5.075 1.00 0.00 C ATOM 1056 C GLN A 65 5.371 -11.666 -6.274 1.00 0.00 C ATOM 1057 O GLN A 65 6.386 -12.309 -6.606 1.00 0.00 O ATOM 1058 CB GLN A 65 5.011 -11.334 -3.729 1.00 0.00 C ATOM 1059 CG GLN A 65 6.076 -12.236 -3.043 1.00 0.00 C ATOM 1060 CD GLN A 65 6.274 -13.610 -3.676 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.350 -14.189 -4.230 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.476 -14.143 -3.585 1.00 0.00 N ATOM 0 H GLN A 65 3.884 -9.255 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 65 6.451 -10.311 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.726 -10.551 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.122 -11.938 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.031 -11.711 -3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.794 -12.373 -1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.225 -13.634 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.657 -15.064 -3.983 1.00 0.00 H new ATOM 1071 N LYS A 66 4.218 -11.748 -6.987 1.00 0.00 N ATOM 1072 CA LYS A 66 4.041 -12.548 -8.201 1.00 0.00 C ATOM 1073 C LYS A 66 4.763 -11.906 -9.395 1.00 0.00 C ATOM 1074 O LYS A 66 5.342 -12.610 -10.183 1.00 0.00 O ATOM 1075 CB LYS A 66 2.540 -12.746 -8.527 1.00 0.00 C ATOM 1076 CG LYS A 66 2.268 -13.473 -9.871 1.00 0.00 C ATOM 1077 CD LYS A 66 0.761 -13.642 -10.170 1.00 0.00 C ATOM 1078 CE LYS A 66 0.057 -12.282 -10.274 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.399 -12.391 -10.535 1.00 0.00 N ATOM 0 H LYS A 66 3.373 -11.244 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 66 4.484 -13.527 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.077 -13.314 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.054 -11.771 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.733 -12.913 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.741 -14.455 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.633 -14.193 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.296 -14.235 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.212 -11.729 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.519 -11.702 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.893 -11.596 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.571 -12.367 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.755 -13.287 -10.145 1.00 0.00 H new ATOM 1093 N LEU A 67 4.618 -10.573 -9.553 1.00 0.00 N ATOM 1094 CA LEU A 67 5.394 -9.779 -10.556 1.00 0.00 C ATOM 1095 C LEU A 67 6.904 -10.153 -10.499 1.00 0.00 C ATOM 1096 O LEU A 67 7.574 -10.281 -11.523 1.00 0.00 O ATOM 1097 CB LEU A 67 5.226 -8.239 -10.372 1.00 0.00 C ATOM 1098 CG LEU A 67 3.775 -7.673 -10.509 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.744 -6.141 -10.300 1.00 0.00 C ATOM 1100 CD2 LEU A 67 3.141 -8.058 -11.859 1.00 0.00 C ATOM 0 H LEU A 67 3.969 -10.013 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 67 4.987 -10.035 -11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.605 -7.970 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.858 -7.737 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 67 3.176 -8.130 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.720 -5.780 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.115 -5.902 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.375 -5.659 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.133 -7.647 -11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.745 -7.656 -12.672 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.096 -9.144 -11.943 1.00 0.00 H new ATOM 1112 N MET A 68 7.365 -10.363 -9.270 1.00 0.00 N ATOM 1113 CA MET A 68 8.750 -10.793 -8.962 1.00 0.00 C ATOM 1114 C MET A 68 9.006 -12.274 -9.357 1.00 0.00 C ATOM 1115 O MET A 68 10.115 -12.625 -9.770 1.00 0.00 O ATOM 1116 CB MET A 68 9.036 -10.551 -7.464 1.00 0.00 C ATOM 1117 CG MET A 68 8.838 -9.096 -7.033 1.00 0.00 C ATOM 1118 SD MET A 68 9.029 -8.844 -5.259 1.00 0.00 S ATOM 1119 CE MET A 68 8.704 -7.086 -5.139 1.00 0.00 C ATOM 0 H MET A 68 6.788 -10.241 -8.438 1.00 0.00 H new ATOM 0 HA MET A 68 9.438 -10.197 -9.561 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.383 -11.190 -6.870 1.00 0.00 H new ATOM 0 HB3 MET A 68 10.061 -10.851 -7.245 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.555 -8.467 -7.561 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.843 -8.768 -7.334 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.870 -6.754 -4.114 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.373 -6.546 -5.808 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.670 -6.887 -5.421 1.00 0.00 H new ATOM 1129 N LYS A 69 7.976 -13.135 -9.232 1.00 0.00 N ATOM 1130 CA LYS A 69 8.063 -14.574 -9.654 1.00 0.00 C ATOM 1131 C LYS A 69 7.216 -14.862 -10.927 1.00 0.00 C ATOM 1132 O LYS A 69 6.794 -16.005 -11.155 1.00 0.00 O ATOM 1133 CB LYS A 69 7.658 -15.519 -8.478 1.00 0.00 C ATOM 1134 CG LYS A 69 6.187 -15.414 -8.033 1.00 0.00 C ATOM 1135 CD LYS A 69 5.842 -16.327 -6.840 1.00 0.00 C ATOM 1136 CE LYS A 69 4.356 -16.234 -6.435 1.00 0.00 C ATOM 1137 NZ LYS A 69 4.091 -16.963 -5.172 1.00 0.00 N ATOM 0 H LYS A 69 7.070 -12.873 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 69 9.102 -14.776 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.859 -16.549 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.297 -15.303 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.969 -14.380 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.542 -15.668 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.082 -17.359 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.465 -16.057 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.074 -15.188 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.734 -16.645 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.083 -16.880 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.337 -17.966 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.666 -16.554 -4.408 1.00 0.00 H new ATOM 1151 N MET A 70 7.014 -13.821 -11.773 1.00 0.00 N ATOM 1152 CA MET A 70 6.187 -13.921 -13.011 1.00 0.00 C ATOM 1153 C MET A 70 6.818 -14.870 -14.038 1.00 0.00 C ATOM 1154 O MET A 70 8.039 -15.056 -14.034 1.00 0.00 O ATOM 1155 CB MET A 70 5.946 -12.513 -13.665 1.00 0.00 C ATOM 1156 CG MET A 70 4.604 -11.864 -13.310 1.00 0.00 C ATOM 1157 SD MET A 70 3.188 -12.851 -13.833 1.00 0.00 S ATOM 1158 CE MET A 70 1.857 -11.670 -13.710 1.00 0.00 C ATOM 0 H MET A 70 7.414 -12.895 -11.622 1.00 0.00 H new ATOM 0 HA MET A 70 5.223 -14.330 -12.707 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.750 -11.843 -13.360 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.010 -12.615 -14.748 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.555 -11.709 -12.232 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.547 -10.880 -13.776 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.911 -12.199 -13.598 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.019 -11.028 -12.844 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.827 -11.060 -14.613 1.00 0.00 H new ATOM 1168 N PRO A 71 5.987 -15.497 -14.935 1.00 0.00 N ATOM 1169 CA PRO A 71 6.500 -16.253 -16.063 1.00 0.00 C ATOM 1170 C PRO A 71 7.082 -15.306 -17.131 1.00 0.00 C ATOM 1171 O PRO A 71 8.296 -15.082 -17.150 1.00 0.00 O ATOM 1172 CB PRO A 71 5.283 -17.086 -16.582 1.00 0.00 C ATOM 1173 CG PRO A 71 4.154 -16.800 -15.631 1.00 0.00 C ATOM 1174 CD PRO A 71 4.508 -15.519 -14.917 1.00 0.00 C ATOM 0 HA PRO A 71 7.325 -16.912 -15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.019 -16.799 -17.600 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.518 -18.150 -16.601 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.211 -16.697 -16.168 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.028 -17.618 -14.921 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.090 -14.650 -15.425 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.121 -15.510 -13.898 1.00 0.00 H new ATOM 1182 N PHE A 72 6.232 -14.764 -18.026 1.00 0.00 N ATOM 1183 CA PHE A 72 6.669 -14.031 -19.223 1.00 0.00 C ATOM 1184 C PHE A 72 6.707 -12.533 -18.866 1.00 0.00 C ATOM 1185 O PHE A 72 5.663 -11.968 -18.564 1.00 0.00 O ATOM 1186 CB PHE A 72 5.657 -14.292 -20.362 1.00 0.00 C ATOM 1187 CG PHE A 72 5.573 -15.763 -20.749 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.508 -16.332 -21.612 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.553 -16.572 -20.250 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.428 -17.667 -21.955 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.473 -17.905 -20.594 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.405 -18.451 -21.453 1.00 0.00 C ATOM 0 H PHE A 72 5.218 -14.825 -17.935 1.00 0.00 H new ATOM 0 HA PHE A 72 7.656 -14.356 -19.552 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.671 -13.945 -20.053 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.941 -13.706 -21.236 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.303 -15.723 -22.016 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.815 -16.149 -19.585 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.165 -18.099 -22.616 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.682 -18.521 -20.192 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.336 -19.492 -21.734 1.00 0.00 H new ATOM 1202 N GLN A 73 7.896 -11.899 -18.845 1.00 0.00 N ATOM 1203 CA GLN A 73 8.043 -10.478 -18.423 1.00 0.00 C ATOM 1204 C GLN A 73 9.210 -9.780 -19.154 1.00 0.00 C ATOM 1205 O GLN A 73 10.010 -10.438 -19.826 1.00 0.00 O ATOM 1206 CB GLN A 73 8.249 -10.372 -16.875 1.00 0.00 C ATOM 1207 CG GLN A 73 9.627 -10.841 -16.335 1.00 0.00 C ATOM 1208 CD GLN A 73 9.854 -12.351 -16.451 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.361 -12.847 -17.460 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.470 -13.097 -15.424 1.00 0.00 N ATOM 0 H GLN A 73 8.774 -12.343 -19.114 1.00 0.00 H new ATOM 0 HA GLN A 73 7.118 -9.969 -18.695 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.100 -9.333 -16.580 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.471 -10.957 -16.385 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.416 -10.321 -16.879 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.715 -10.549 -15.289 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.054 -12.658 -14.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.591 -14.109 -15.455 1.00 0.00 H new ATOM 1219 N ARG A 74 9.276 -8.437 -18.987 1.00 0.00 N ATOM 1220 CA ARG A 74 10.424 -7.583 -19.390 1.00 0.00 C ATOM 1221 C ARG A 74 10.167 -6.127 -18.943 1.00 0.00 C ATOM 1222 O ARG A 74 9.097 -5.815 -18.441 1.00 0.00 O ATOM 1223 CB ARG A 74 10.666 -7.603 -20.930 1.00 0.00 C ATOM 1224 CG ARG A 74 9.470 -7.106 -21.772 1.00 0.00 C ATOM 1225 CD ARG A 74 9.785 -7.016 -23.267 1.00 0.00 C ATOM 1226 NE ARG A 74 8.579 -6.726 -24.074 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.571 -6.485 -25.397 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.697 -6.455 -26.101 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.427 -6.272 -26.014 1.00 0.00 N ATOM 0 H ARG A 74 8.518 -7.905 -18.560 1.00 0.00 H new ATOM 0 HA ARG A 74 11.313 -7.986 -18.905 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.535 -6.986 -21.157 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.910 -8.621 -21.234 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.625 -7.779 -21.625 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.163 -6.124 -21.412 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.528 -6.236 -23.434 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.227 -7.955 -23.601 1.00 0.00 H new ATOM 0 HE ARG A 74 7.682 -6.707 -23.588 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.592 -6.617 -25.639 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.667 -6.270 -27.104 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.553 -6.290 -25.488 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.415 -6.089 -27.017 1.00 0.00 H new ATOM 1243 N ALA A 75 11.160 -5.252 -19.143 1.00 0.00 N ATOM 1244 CA ALA A 75 11.028 -3.790 -18.921 1.00 0.00 C ATOM 1245 C ALA A 75 10.855 -3.102 -20.280 1.00 0.00 C ATOM 1246 O ALA A 75 11.842 -2.934 -21.007 1.00 0.00 O ATOM 1247 CB ALA A 75 12.253 -3.242 -18.159 1.00 0.00 C ATOM 0 H ALA A 75 12.087 -5.531 -19.465 1.00 0.00 H new ATOM 0 HA ALA A 75 10.153 -3.584 -18.305 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.137 -2.169 -18.007 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.333 -3.739 -17.192 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.156 -3.430 -18.739 1.00 0.00 H new ATOM 1253 N ILE A 76 9.597 -2.764 -20.662 1.00 0.00 N ATOM 1254 CA ILE A 76 9.178 -2.419 -22.033 1.00 0.00 C ATOM 1255 C ILE A 76 9.967 -1.204 -22.566 1.00 0.00 C ATOM 1256 O ILE A 76 10.056 -0.176 -21.890 1.00 0.00 O ATOM 1257 CB ILE A 76 7.632 -2.065 -22.073 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.759 -3.154 -21.367 1.00 0.00 C ATOM 1259 CG2 ILE A 76 7.144 -1.832 -23.518 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.749 -4.523 -22.035 1.00 0.00 C ATOM 0 H ILE A 76 8.825 -2.725 -19.997 1.00 0.00 H new ATOM 0 HA ILE A 76 9.379 -3.288 -22.659 1.00 0.00 H new ATOM 0 HB ILE A 76 7.511 -1.136 -21.517 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.114 -3.272 -20.343 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.733 -2.790 -21.309 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.081 -1.592 -23.509 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.699 -1.005 -23.961 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.307 -2.735 -24.107 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.114 -5.201 -21.465 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.362 -4.430 -23.050 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.764 -4.919 -22.069 1.00 0.00 H new ATOM 1272 N THR A 77 10.563 -1.351 -23.756 1.00 0.00 N ATOM 1273 CA THR A 77 11.308 -0.286 -24.452 1.00 0.00 C ATOM 1274 C THR A 77 10.341 0.739 -25.092 1.00 0.00 C ATOM 1275 O THR A 77 9.194 0.399 -25.365 1.00 0.00 O ATOM 1276 CB THR A 77 12.220 -0.914 -25.554 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.413 -1.619 -26.516 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.246 -1.888 -24.952 1.00 0.00 C ATOM 0 H THR A 77 10.542 -2.229 -24.275 1.00 0.00 H new ATOM 0 HA THR A 77 11.925 0.236 -23.721 1.00 0.00 H new ATOM 0 HB THR A 77 12.759 -0.100 -26.038 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.991 -2.009 -27.205 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.862 -2.305 -25.748 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.880 -1.356 -24.243 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.724 -2.694 -24.437 1.00 0.00 H new ATOM 1286 N LYS A 78 10.816 1.990 -25.287 1.00 0.00 N ATOM 1287 CA LYS A 78 10.083 3.071 -26.013 1.00 0.00 C ATOM 1288 C LYS A 78 9.569 2.572 -27.391 1.00 0.00 C ATOM 1289 O LYS A 78 8.476 2.919 -27.827 1.00 0.00 O ATOM 1290 CB LYS A 78 11.033 4.280 -26.242 1.00 0.00 C ATOM 1291 CG LYS A 78 11.599 4.929 -24.955 1.00 0.00 C ATOM 1292 CD LYS A 78 12.773 5.907 -25.226 1.00 0.00 C ATOM 1293 CE LYS A 78 12.390 7.076 -26.148 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.535 7.985 -26.412 1.00 0.00 N ATOM 0 H LYS A 78 11.729 2.288 -24.944 1.00 0.00 H new ATOM 0 HA LYS A 78 9.228 3.367 -25.405 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.868 3.953 -26.862 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.496 5.041 -26.807 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.799 5.465 -24.445 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.938 4.144 -24.279 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.132 6.305 -24.277 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.600 5.356 -25.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.016 6.683 -27.093 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.577 7.642 -25.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.228 8.757 -27.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.877 8.382 -25.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.302 7.453 -26.869 1.00 0.00 H new ATOM 1308 N LYS A 79 10.466 1.850 -28.071 1.00 0.00 N ATOM 1309 CA LYS A 79 10.134 1.091 -29.303 1.00 0.00 C ATOM 1310 C LYS A 79 8.792 0.314 -29.170 1.00 0.00 C ATOM 1311 O LYS A 79 7.922 0.421 -30.041 1.00 0.00 O ATOM 1312 CB LYS A 79 11.278 0.140 -29.736 1.00 0.00 C ATOM 1313 CG LYS A 79 12.454 0.864 -30.419 1.00 0.00 C ATOM 1314 CD LYS A 79 13.476 -0.110 -31.028 1.00 0.00 C ATOM 1315 CE LYS A 79 14.563 0.623 -31.826 1.00 0.00 C ATOM 1316 NZ LYS A 79 15.599 -0.303 -32.355 1.00 0.00 N ATOM 0 H LYS A 79 11.444 1.769 -27.792 1.00 0.00 H new ATOM 0 HA LYS A 79 10.011 1.835 -30.090 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.649 -0.392 -28.860 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.878 -0.610 -30.418 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.068 1.516 -31.202 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.955 1.502 -29.691 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.941 -0.692 -30.232 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.961 -0.815 -31.680 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.102 1.160 -32.655 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.038 1.369 -31.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.310 0.239 -32.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.060 -0.797 -31.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.153 -0.999 -32.985 1.00 0.00 H new ATOM 1330 N GLU A 80 8.603 -0.407 -28.051 1.00 0.00 N ATOM 1331 CA GLU A 80 7.372 -1.195 -27.795 1.00 0.00 C ATOM 1332 C GLU A 80 6.291 -0.338 -27.083 1.00 0.00 C ATOM 1333 O GLU A 80 5.140 -0.766 -26.952 1.00 0.00 O ATOM 1334 CB GLU A 80 7.724 -2.450 -26.965 1.00 0.00 C ATOM 1335 CG GLU A 80 8.580 -3.486 -27.713 1.00 0.00 C ATOM 1336 CD GLU A 80 7.829 -4.107 -28.901 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.970 -4.987 -28.673 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.073 -3.708 -30.061 1.00 0.00 O ATOM 0 H GLU A 80 9.291 -0.464 -27.300 1.00 0.00 H new ATOM 0 HA GLU A 80 6.953 -1.510 -28.751 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.255 -2.139 -26.066 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.799 -2.927 -26.640 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.493 -3.011 -28.071 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.880 -4.274 -27.022 1.00 0.00 H new ATOM 1345 N GLN A 81 6.677 0.878 -26.637 1.00 0.00 N ATOM 1346 CA GLN A 81 5.717 1.884 -26.126 1.00 0.00 C ATOM 1347 C GLN A 81 5.186 2.797 -27.224 1.00 0.00 C ATOM 1348 O GLN A 81 4.185 3.492 -27.004 1.00 0.00 O ATOM 1349 CB GLN A 81 6.397 2.749 -25.027 1.00 0.00 C ATOM 1350 CG GLN A 81 6.889 1.955 -23.798 1.00 0.00 C ATOM 1351 CD GLN A 81 7.624 2.811 -22.765 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.322 3.983 -22.592 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.595 2.232 -22.075 1.00 0.00 N ATOM 0 H GLN A 81 7.649 1.188 -26.620 1.00 0.00 H new ATOM 0 HA GLN A 81 4.870 1.336 -25.713 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.245 3.273 -25.468 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.691 3.510 -24.693 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.034 1.478 -23.319 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.552 1.158 -24.134 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.825 1.252 -22.241 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.113 2.766 -21.377 1.00 0.00 H new ATOM 1362 N ALA A 82 5.838 2.820 -28.407 1.00 0.00 N ATOM 1363 CA ALA A 82 5.399 3.658 -29.530 1.00 0.00 C ATOM 1364 C ALA A 82 4.197 2.989 -30.196 1.00 0.00 C ATOM 1365 O ALA A 82 3.343 3.643 -30.796 1.00 0.00 O ATOM 1366 CB ALA A 82 6.557 3.846 -30.537 1.00 0.00 C ATOM 0 H ALA A 82 6.671 2.265 -28.603 1.00 0.00 H new ATOM 0 HA ALA A 82 5.108 4.645 -29.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.221 4.469 -31.366 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.398 4.328 -30.039 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.870 2.874 -30.917 1.00 0.00 H new ATOM 1372 N ASP A 83 4.169 1.651 -30.068 1.00 0.00 N ATOM 1373 CA ASP A 83 3.074 0.802 -30.517 1.00 0.00 C ATOM 1374 C ASP A 83 2.582 -0.030 -29.325 1.00 0.00 C ATOM 1375 O ASP A 83 2.809 -1.241 -29.253 1.00 0.00 O ATOM 1376 CB ASP A 83 3.542 -0.092 -31.695 1.00 0.00 C ATOM 1377 CG ASP A 83 3.923 0.727 -32.930 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.017 1.075 -33.717 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.119 1.055 -33.103 1.00 0.00 O ATOM 0 H ASP A 83 4.930 1.126 -29.638 1.00 0.00 H new ATOM 0 HA ASP A 83 2.246 1.407 -30.885 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.398 -0.687 -31.378 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.747 -0.791 -31.956 1.00 0.00 H new ATOM 1384 N MET A 84 1.952 0.672 -28.361 1.00 0.00 N ATOM 1385 CA MET A 84 1.278 0.042 -27.203 1.00 0.00 C ATOM 1386 C MET A 84 -0.013 -0.663 -27.644 1.00 0.00 C ATOM 1387 O MET A 84 -0.440 -1.620 -27.009 1.00 0.00 O ATOM 1388 CB MET A 84 0.984 1.086 -26.079 1.00 0.00 C ATOM 1389 CG MET A 84 2.075 1.149 -25.014 1.00 0.00 C ATOM 1390 SD MET A 84 2.262 -0.451 -24.191 1.00 0.00 S ATOM 1391 CE MET A 84 3.762 -0.213 -23.257 1.00 0.00 C ATOM 0 H MET A 84 1.895 1.690 -28.362 1.00 0.00 H new ATOM 0 HA MET A 84 1.955 -0.707 -26.791 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.868 2.072 -26.529 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.035 0.840 -25.603 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.020 1.440 -25.472 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.828 1.915 -24.279 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.955 -1.096 -22.648 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.595 -0.055 -23.941 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.653 0.657 -22.610 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.600 -0.179 -28.745 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.766 -0.818 -29.352 1.00 0.00 C ATOM 1403 C GLY A 85 -1.414 -2.202 -29.880 1.00 0.00 C ATOM 1404 O GLY A 85 -2.013 -3.200 -29.475 1.00 0.00 O ATOM 0 H GLY A 85 -0.282 0.658 -29.234 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.566 -0.898 -28.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.142 -0.199 -30.166 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.406 -2.234 -30.773 1.00 0.00 N ATOM 1409 CA LYS A 86 0.138 -3.463 -31.381 1.00 0.00 C ATOM 1410 C LYS A 86 0.648 -4.449 -30.301 1.00 0.00 C ATOM 1411 O LYS A 86 0.333 -5.639 -30.349 1.00 0.00 O ATOM 1412 CB LYS A 86 1.254 -3.066 -32.404 1.00 0.00 C ATOM 1413 CG LYS A 86 1.982 -4.219 -33.156 1.00 0.00 C ATOM 1414 CD LYS A 86 3.190 -4.806 -32.383 1.00 0.00 C ATOM 1415 CE LYS A 86 4.268 -3.755 -32.053 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.445 -4.358 -31.376 1.00 0.00 N ATOM 0 H LYS A 86 0.062 -1.388 -31.098 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.652 -3.991 -31.916 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.808 -2.407 -33.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.006 -2.483 -31.872 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.268 -5.018 -33.356 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.326 -3.850 -34.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.836 -5.257 -31.456 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.639 -5.604 -32.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.590 -3.265 -32.972 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.838 -2.983 -31.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.123 -3.610 -31.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.136 -4.847 -30.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.902 -5.040 -32.015 1.00 0.00 H new ATOM 1430 N LEU A 87 1.512 -3.949 -29.400 1.00 0.00 N ATOM 1431 CA LEU A 87 2.036 -4.743 -28.264 1.00 0.00 C ATOM 1432 C LEU A 87 0.889 -5.459 -27.482 1.00 0.00 C ATOM 1433 O LEU A 87 0.874 -6.695 -27.383 1.00 0.00 O ATOM 1434 CB LEU A 87 2.904 -3.847 -27.326 1.00 0.00 C ATOM 1435 CG LEU A 87 3.410 -4.506 -26.001 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.308 -5.735 -26.269 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.133 -3.473 -25.112 1.00 0.00 C ATOM 0 H LEU A 87 1.867 -2.993 -29.434 1.00 0.00 H new ATOM 0 HA LEU A 87 2.676 -5.527 -28.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.772 -3.504 -27.889 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.323 -2.962 -27.066 1.00 0.00 H new ATOM 0 HG LEU A 87 2.532 -4.864 -25.464 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.636 -6.160 -25.320 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.744 -6.483 -26.826 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.178 -5.430 -26.850 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.475 -3.957 -24.197 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.990 -3.066 -25.650 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.446 -2.665 -24.860 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.072 -4.670 -26.977 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.182 -5.165 -26.126 1.00 0.00 C ATOM 1451 C LYS A 88 -2.282 -5.975 -26.867 1.00 0.00 C ATOM 1452 O LYS A 88 -3.000 -6.737 -26.212 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.812 -3.965 -25.374 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.855 -3.329 -24.346 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.439 -2.085 -23.657 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.518 -1.560 -22.549 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.088 -0.376 -21.867 1.00 0.00 N ATOM 0 H LYS A 88 -0.107 -3.664 -27.144 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.735 -5.881 -25.436 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.114 -3.208 -26.098 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.716 -4.297 -24.864 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.603 -4.071 -23.588 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.074 -3.056 -24.846 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.599 -1.301 -24.398 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.414 -2.328 -23.234 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.343 -2.350 -21.818 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.451 -1.301 -22.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.434 -0.054 -21.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.231 0.388 -22.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.001 -0.629 -21.437 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.431 -5.828 -28.216 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.527 -6.527 -28.981 1.00 0.00 C ATOM 1473 C LYS A 89 -3.290 -8.057 -29.123 1.00 0.00 C ATOM 1474 O LYS A 89 -4.064 -8.749 -29.796 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.778 -5.857 -30.380 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.579 -5.848 -31.375 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.384 -7.136 -32.219 1.00 0.00 C ATOM 1478 CE LYS A 89 -3.541 -7.398 -33.195 1.00 0.00 C ATOM 1479 NZ LYS A 89 -3.340 -8.645 -33.976 1.00 0.00 N ATOM 0 H LYS A 89 -1.824 -5.246 -28.793 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.431 -6.408 -28.384 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.613 -6.369 -30.858 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.090 -4.826 -30.213 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.705 -5.007 -32.057 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.665 -5.666 -30.810 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.453 -7.058 -32.781 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.281 -7.990 -31.549 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.476 -7.466 -32.639 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.637 -6.554 -33.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.143 -8.783 -34.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.461 -8.571 -34.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.274 -9.455 -33.327 1.00 0.00 H new ATOM 1493 N SER A 90 -2.263 -8.574 -28.428 1.00 0.00 N ATOM 1494 CA SER A 90 -1.905 -10.008 -28.487 1.00 0.00 C ATOM 1495 C SER A 90 -1.905 -10.649 -27.092 1.00 0.00 C ATOM 1496 O SER A 90 -2.601 -11.650 -26.864 1.00 0.00 O ATOM 1497 CB SER A 90 -0.516 -10.174 -29.152 1.00 0.00 C ATOM 1498 OG SER A 90 -0.151 -11.538 -29.272 1.00 0.00 O ATOM 0 H SER A 90 -1.662 -8.021 -27.816 1.00 0.00 H new ATOM 0 HA SER A 90 -2.659 -10.520 -29.085 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.528 -9.712 -30.139 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.235 -9.647 -28.563 1.00 0.00 H new ATOM 0 HG SER A 90 0.729 -11.605 -29.697 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.128 -10.032 -26.179 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.707 -10.644 -24.893 1.00 0.00 C ATOM 1506 C VAL A 91 -1.891 -11.196 -24.079 1.00 0.00 C ATOM 1507 O VAL A 91 -1.869 -12.356 -23.662 1.00 0.00 O ATOM 1508 CB VAL A 91 0.084 -9.629 -23.990 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.777 -10.355 -22.804 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.078 -8.786 -24.823 1.00 0.00 C ATOM 0 H VAL A 91 -0.769 -9.086 -26.311 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.056 -11.472 -25.174 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.635 -8.931 -23.561 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.316 -9.628 -22.197 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.024 -10.852 -22.192 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.477 -11.096 -23.190 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.608 -8.095 -24.167 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.796 -9.446 -25.310 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.532 -8.222 -25.579 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.917 -10.343 -23.906 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.123 -10.635 -23.111 1.00 0.00 C ATOM 1522 C ARG A 92 -3.721 -10.913 -21.639 1.00 0.00 C ATOM 1523 O ARG A 92 -3.334 -12.034 -21.278 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.958 -11.795 -23.762 1.00 0.00 C ATOM 1525 CG ARG A 92 -6.485 -11.797 -23.462 1.00 0.00 C ATOM 1526 CD ARG A 92 -6.843 -12.179 -22.014 1.00 0.00 C ATOM 1527 NE ARG A 92 -6.395 -13.552 -21.670 1.00 0.00 N ATOM 1528 CZ ARG A 92 -5.902 -13.940 -20.478 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.703 -13.063 -19.497 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -5.590 -15.205 -20.277 1.00 0.00 N ATOM 0 H ARG A 92 -2.931 -9.413 -24.324 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.782 -9.767 -23.105 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.822 -11.750 -24.842 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.542 -12.745 -23.427 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.887 -10.806 -23.675 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.977 -12.493 -24.142 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.385 -11.466 -21.328 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.922 -12.105 -21.877 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.467 -14.262 -22.399 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.925 -12.078 -19.641 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.329 -13.376 -18.601 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.722 -15.888 -21.023 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.217 -15.501 -19.375 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.791 -9.861 -20.812 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.379 -9.922 -19.406 1.00 0.00 C ATOM 1546 C GLY A 93 -2.038 -9.241 -19.151 1.00 0.00 C ATOM 1547 O GLY A 93 -1.443 -9.434 -18.090 1.00 0.00 O ATOM 0 H GLY A 93 -4.135 -8.945 -21.100 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.143 -9.451 -18.788 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.316 -10.965 -19.096 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.550 -8.453 -20.135 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.336 -7.632 -19.974 1.00 0.00 C ATOM 1553 C LEU A 94 -0.594 -6.529 -18.937 1.00 0.00 C ATOM 1554 O LEU A 94 -1.612 -5.842 -18.990 1.00 0.00 O ATOM 1555 CB LEU A 94 0.104 -7.025 -21.331 1.00 0.00 C ATOM 1556 CG LEU A 94 1.400 -6.146 -21.329 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.605 -6.894 -20.701 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.735 -5.649 -22.756 1.00 0.00 C ATOM 0 H LEU A 94 -1.984 -8.371 -21.054 1.00 0.00 H new ATOM 0 HA LEU A 94 0.476 -8.267 -19.619 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.250 -7.843 -22.037 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.717 -6.418 -21.713 1.00 0.00 H new ATOM 0 HG LEU A 94 1.200 -5.275 -20.704 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.483 -6.249 -20.719 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.371 -7.159 -19.670 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.808 -7.800 -21.272 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.639 -5.041 -22.727 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.895 -6.505 -23.411 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.907 -5.050 -23.136 1.00 0.00 H new ATOM 1570 N VAL A 95 0.324 -6.409 -17.976 1.00 0.00 N ATOM 1571 CA VAL A 95 0.295 -5.423 -16.889 1.00 0.00 C ATOM 1572 C VAL A 95 1.565 -4.592 -17.001 1.00 0.00 C ATOM 1573 O VAL A 95 2.653 -5.147 -17.007 1.00 0.00 O ATOM 1574 CB VAL A 95 0.165 -6.096 -15.472 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.338 -5.070 -14.311 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -1.196 -6.829 -15.362 1.00 0.00 C ATOM 0 H VAL A 95 1.140 -7.019 -17.930 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.587 -4.791 -16.987 1.00 0.00 H new ATOM 0 HB VAL A 95 0.974 -6.820 -15.372 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.240 -5.583 -13.354 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.324 -4.609 -14.376 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.429 -4.299 -14.390 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.281 -7.293 -14.379 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.007 -6.113 -15.496 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.259 -7.597 -16.133 1.00 0.00 H new ATOM 1586 N VAL A 96 1.419 -3.259 -17.059 1.00 0.00 N ATOM 1587 CA VAL A 96 2.491 -2.335 -17.457 1.00 0.00 C ATOM 1588 C VAL A 96 2.610 -1.243 -16.375 1.00 0.00 C ATOM 1589 O VAL A 96 1.695 -0.430 -16.204 1.00 0.00 O ATOM 1590 CB VAL A 96 2.202 -1.682 -18.870 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.344 -0.747 -19.311 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.940 -2.756 -19.955 1.00 0.00 C ATOM 0 H VAL A 96 0.544 -2.788 -16.828 1.00 0.00 H new ATOM 0 HA VAL A 96 3.427 -2.887 -17.547 1.00 0.00 H new ATOM 0 HB VAL A 96 1.298 -1.084 -18.757 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.108 -0.319 -20.285 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.461 0.054 -18.581 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.273 -1.314 -19.379 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.746 -2.268 -20.910 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.814 -3.400 -20.048 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.075 -3.356 -19.672 1.00 0.00 H new ATOM 1602 N VAL A 97 3.727 -1.251 -15.636 1.00 0.00 N ATOM 1603 CA VAL A 97 3.946 -0.402 -14.453 1.00 0.00 C ATOM 1604 C VAL A 97 4.952 0.720 -14.810 1.00 0.00 C ATOM 1605 O VAL A 97 6.106 0.429 -15.136 1.00 0.00 O ATOM 1606 CB VAL A 97 4.492 -1.271 -13.253 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.529 -0.460 -11.938 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.677 -2.585 -13.076 1.00 0.00 C ATOM 0 H VAL A 97 4.519 -1.858 -15.846 1.00 0.00 H new ATOM 0 HA VAL A 97 3.001 0.047 -14.147 1.00 0.00 H new ATOM 0 HB VAL A 97 5.516 -1.551 -13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.910 -1.089 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.181 0.405 -12.062 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.523 -0.123 -11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.083 -3.155 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.633 -2.342 -12.876 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.743 -3.179 -13.987 1.00 0.00 H new ATOM 1618 N HIS A 98 4.522 1.991 -14.716 1.00 0.00 N ATOM 1619 CA HIS A 98 5.325 3.168 -15.121 1.00 0.00 C ATOM 1620 C HIS A 98 6.140 3.648 -13.892 1.00 0.00 C ATOM 1621 O HIS A 98 5.607 3.609 -12.793 1.00 0.00 O ATOM 1622 CB HIS A 98 4.346 4.275 -15.617 1.00 0.00 C ATOM 1623 CG HIS A 98 4.993 5.534 -16.140 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.482 6.501 -15.293 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.228 5.918 -17.419 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.000 7.433 -16.069 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.870 7.124 -17.359 1.00 0.00 N ATOM 0 H HIS A 98 3.600 2.236 -14.354 1.00 0.00 H new ATOM 0 HA HIS A 98 6.019 2.926 -15.926 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.721 3.855 -16.405 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.684 4.544 -14.794 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.960 5.376 -18.313 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.471 8.334 -15.705 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.189 7.681 -18.151 1.00 0.00 H new ATOM 1635 N PRO A 99 7.418 4.137 -14.032 1.00 0.00 N ATOM 1636 CA PRO A 99 8.285 4.470 -12.863 1.00 0.00 C ATOM 1637 C PRO A 99 7.736 5.619 -11.968 1.00 0.00 C ATOM 1638 O PRO A 99 8.192 5.799 -10.831 1.00 0.00 O ATOM 1639 CB PRO A 99 9.639 4.857 -13.523 1.00 0.00 C ATOM 1640 CG PRO A 99 9.269 5.295 -14.901 1.00 0.00 C ATOM 1641 CD PRO A 99 8.125 4.402 -15.310 1.00 0.00 C ATOM 0 HA PRO A 99 8.354 3.632 -12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.135 5.656 -12.972 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.326 4.011 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.973 6.344 -14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.111 5.193 -15.585 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.474 4.890 -16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.480 3.480 -15.771 1.00 0.00 H new ATOM 1649 N MET A 100 6.753 6.388 -12.491 1.00 0.00 N ATOM 1650 CA MET A 100 6.151 7.519 -11.746 1.00 0.00 C ATOM 1651 C MET A 100 4.780 7.182 -11.147 1.00 0.00 C ATOM 1652 O MET A 100 4.183 8.034 -10.475 1.00 0.00 O ATOM 1653 CB MET A 100 6.040 8.780 -12.629 1.00 0.00 C ATOM 1654 CG MET A 100 7.373 9.316 -13.149 1.00 0.00 C ATOM 1655 SD MET A 100 7.233 11.014 -13.752 1.00 0.00 S ATOM 1656 CE MET A 100 5.854 10.869 -14.890 1.00 0.00 C ATOM 0 H MET A 100 6.361 6.247 -13.422 1.00 0.00 H new ATOM 0 HA MET A 100 6.829 7.720 -10.917 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.398 8.555 -13.480 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.547 9.565 -12.056 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.116 9.275 -12.352 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.732 8.674 -13.953 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.502 11.864 -15.163 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.176 10.339 -15.786 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.045 10.316 -14.413 1.00 0.00 H new ATOM 1666 N THR A 101 4.286 5.949 -11.362 1.00 0.00 N ATOM 1667 CA THR A 101 3.051 5.459 -10.698 1.00 0.00 C ATOM 1668 C THR A 101 3.322 5.155 -9.223 1.00 0.00 C ATOM 1669 O THR A 101 4.453 5.304 -8.751 1.00 0.00 O ATOM 1670 CB THR A 101 2.433 4.187 -11.384 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.385 3.112 -11.429 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.905 4.486 -12.795 1.00 0.00 C ATOM 0 H THR A 101 4.718 5.270 -11.989 1.00 0.00 H new ATOM 0 HA THR A 101 2.321 6.263 -10.793 1.00 0.00 H new ATOM 0 HB THR A 101 1.584 3.882 -10.772 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.129 3.358 -12.017 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.488 3.577 -13.228 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.130 5.250 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.722 4.844 -13.421 1.00 0.00 H new ATOM 1680 N ALA A 102 2.269 4.728 -8.508 1.00 0.00 N ATOM 1681 CA ALA A 102 2.365 4.347 -7.101 1.00 0.00 C ATOM 1682 C ALA A 102 3.415 3.242 -6.926 1.00 0.00 C ATOM 1683 O ALA A 102 4.495 3.486 -6.362 1.00 0.00 O ATOM 1684 CB ALA A 102 0.986 3.912 -6.568 1.00 0.00 C ATOM 0 H ALA A 102 1.329 4.639 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 102 2.686 5.209 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.074 3.631 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.281 4.738 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.626 3.059 -7.143 1.00 0.00 H new ATOM 1690 N LEU A 103 3.102 2.035 -7.431 1.00 0.00 N ATOM 1691 CA LEU A 103 3.964 0.848 -7.342 1.00 0.00 C ATOM 1692 C LEU A 103 5.294 1.094 -8.101 1.00 0.00 C ATOM 1693 O LEU A 103 6.362 0.652 -7.669 1.00 0.00 O ATOM 1694 CB LEU A 103 3.198 -0.346 -7.979 1.00 0.00 C ATOM 1695 CG LEU A 103 3.714 -1.777 -7.633 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.620 -2.065 -6.112 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.958 -2.844 -8.464 1.00 0.00 C ATOM 0 H LEU A 103 2.226 1.857 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 103 4.204 0.633 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.153 -0.279 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.225 -0.228 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 103 4.769 -1.829 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.988 -3.071 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.224 -1.340 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.581 -1.987 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.332 -3.836 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.892 -2.790 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.118 -2.658 -9.526 1.00 0.00 H new ATOM 1709 N GLY A 104 5.164 1.754 -9.274 1.00 0.00 N ATOM 1710 CA GLY A 104 6.297 2.270 -10.034 1.00 0.00 C ATOM 1711 C GLY A 104 7.350 3.014 -9.230 1.00 0.00 C ATOM 1712 O GLY A 104 8.549 2.867 -9.510 1.00 0.00 O ATOM 0 H GLY A 104 4.261 1.938 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.779 1.435 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.918 2.939 -10.807 1.00 0.00 H new ATOM 1716 N ARG A 105 6.938 3.822 -8.231 1.00 0.00 N ATOM 1717 CA ARG A 105 7.886 4.484 -7.330 1.00 0.00 C ATOM 1718 C ARG A 105 8.231 3.571 -6.164 1.00 0.00 C ATOM 1719 O ARG A 105 9.370 3.594 -5.683 1.00 0.00 O ATOM 1720 CB ARG A 105 7.304 5.810 -6.771 1.00 0.00 C ATOM 1721 CG ARG A 105 7.002 6.884 -7.825 1.00 0.00 C ATOM 1722 CD ARG A 105 6.465 8.179 -7.187 1.00 0.00 C ATOM 1723 NE ARG A 105 6.225 9.248 -8.171 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.500 10.353 -7.934 1.00 0.00 C ATOM 1725 NH1 ARG A 105 4.826 10.507 -6.797 1.00 0.00 N ATOM 1726 NH2 ARG A 105 5.421 11.291 -8.856 1.00 0.00 N ATOM 0 H ARG A 105 5.958 4.027 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 105 8.783 4.707 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.385 5.586 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.008 6.221 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.909 7.105 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.271 6.499 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.535 7.960 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.177 8.532 -6.441 1.00 0.00 H new ATOM 0 HE ARG A 105 6.638 9.142 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.854 9.777 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.282 11.355 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.909 11.176 -9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.872 12.133 -8.682 1.00 0.00 H new ATOM 1740 N GLU A 106 7.249 2.773 -5.693 1.00 0.00 N ATOM 1741 CA GLU A 106 7.359 2.012 -4.452 1.00 0.00 C ATOM 1742 C GLU A 106 8.409 0.906 -4.585 1.00 0.00 C ATOM 1743 O GLU A 106 9.383 0.885 -3.819 1.00 0.00 O ATOM 1744 CB GLU A 106 5.975 1.418 -4.067 1.00 0.00 C ATOM 1745 CG GLU A 106 5.940 0.689 -2.709 1.00 0.00 C ATOM 1746 CD GLU A 106 6.396 1.583 -1.542 1.00 0.00 C ATOM 1747 OE1 GLU A 106 5.738 2.613 -1.293 1.00 0.00 O ATOM 1748 OE2 GLU A 106 7.423 1.278 -0.895 1.00 0.00 O ATOM 0 H GLU A 106 6.358 2.645 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 106 7.682 2.685 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.241 2.224 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.665 0.721 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.927 0.337 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.580 -0.192 -2.758 1.00 0.00 H new ATOM 1755 N MET A 107 8.222 -0.034 -5.550 1.00 0.00 N ATOM 1756 CA MET A 107 9.221 -1.087 -5.842 1.00 0.00 C ATOM 1757 C MET A 107 10.512 -0.457 -6.441 1.00 0.00 C ATOM 1758 O MET A 107 11.520 -1.143 -6.609 1.00 0.00 O ATOM 1759 CB MET A 107 8.628 -2.159 -6.826 1.00 0.00 C ATOM 1760 CG MET A 107 7.416 -2.973 -6.285 1.00 0.00 C ATOM 1761 SD MET A 107 7.123 -4.539 -7.152 1.00 0.00 S ATOM 1762 CE MET A 107 6.674 -4.026 -8.807 1.00 0.00 C ATOM 0 H MET A 107 7.388 -0.080 -6.136 1.00 0.00 H new ATOM 0 HA MET A 107 9.477 -1.585 -4.907 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.323 -1.655 -7.743 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.421 -2.857 -7.094 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.576 -3.181 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.519 -2.358 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.232 -4.616 -9.535 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.606 -4.180 -8.958 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.911 -2.970 -8.937 1.00 0.00 H new ATOM 1772 N GLY A 108 10.443 0.854 -6.772 1.00 0.00 N ATOM 1773 CA GLY A 108 11.612 1.643 -7.179 1.00 0.00 C ATOM 1774 C GLY A 108 12.027 1.399 -8.613 1.00 0.00 C ATOM 1775 O GLY A 108 13.224 1.330 -8.917 1.00 0.00 O ATOM 0 H GLY A 108 9.573 1.387 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.391 2.702 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.448 1.407 -6.521 1.00 0.00 H new ATOM 1779 N LEU A 109 11.031 1.280 -9.503 1.00 0.00 N ATOM 1780 CA LEU A 109 11.271 1.010 -10.927 1.00 0.00 C ATOM 1781 C LEU A 109 11.870 2.254 -11.610 1.00 0.00 C ATOM 1782 O LEU A 109 11.441 3.384 -11.355 1.00 0.00 O ATOM 1783 CB LEU A 109 9.968 0.552 -11.636 1.00 0.00 C ATOM 1784 CG LEU A 109 9.320 -0.762 -11.081 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.093 -1.170 -11.923 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.350 -1.923 -11.001 1.00 0.00 C ATOM 0 H LEU A 109 10.045 1.367 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 109 11.990 0.195 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.235 1.356 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.183 0.410 -12.695 1.00 0.00 H new ATOM 0 HG LEU A 109 8.983 -0.555 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.661 -2.085 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.350 -0.373 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.400 -1.340 -12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.862 -2.816 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.744 -2.129 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.168 -1.639 -10.339 1.00 0.00 H new ATOM 1798 N GLU A 110 12.893 2.017 -12.443 1.00 0.00 N ATOM 1799 CA GLU A 110 13.619 3.067 -13.188 1.00 0.00 C ATOM 1800 C GLU A 110 13.019 3.268 -14.591 1.00 0.00 C ATOM 1801 O GLU A 110 13.372 4.222 -15.296 1.00 0.00 O ATOM 1802 CB GLU A 110 15.123 2.677 -13.293 1.00 0.00 C ATOM 1803 CG GLU A 110 15.384 1.323 -13.989 1.00 0.00 C ATOM 1804 CD GLU A 110 16.872 0.941 -14.055 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.412 0.434 -13.047 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.512 1.135 -15.112 1.00 0.00 O ATOM 0 H GLU A 110 13.248 1.078 -12.624 1.00 0.00 H new ATOM 0 HA GLU A 110 13.523 4.009 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.652 3.459 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.548 2.644 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.840 0.541 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.982 1.361 -15.001 1.00 0.00 H new ATOM 1813 N GLU A 111 12.095 2.375 -14.971 1.00 0.00 N ATOM 1814 CA GLU A 111 11.565 2.301 -16.336 1.00 0.00 C ATOM 1815 C GLU A 111 10.133 1.743 -16.321 1.00 0.00 C ATOM 1816 O GLU A 111 9.699 1.141 -15.324 1.00 0.00 O ATOM 1817 CB GLU A 111 12.512 1.396 -17.185 1.00 0.00 C ATOM 1818 CG GLU A 111 12.166 1.258 -18.681 1.00 0.00 C ATOM 1819 CD GLU A 111 12.064 2.605 -19.409 1.00 0.00 C ATOM 1820 OE1 GLU A 111 13.091 3.303 -19.537 1.00 0.00 O ATOM 1821 OE2 GLU A 111 10.953 2.979 -19.870 1.00 0.00 O ATOM 0 H GLU A 111 11.694 1.683 -14.338 1.00 0.00 H new ATOM 0 HA GLU A 111 11.524 3.296 -16.779 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.525 1.790 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.520 0.400 -16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.926 0.647 -19.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.219 0.727 -18.780 1.00 0.00 H new ATOM 1828 N MET A 112 9.391 1.991 -17.421 1.00 0.00 N ATOM 1829 CA MET A 112 8.096 1.372 -17.685 1.00 0.00 C ATOM 1830 C MET A 112 8.328 -0.117 -17.948 1.00 0.00 C ATOM 1831 O MET A 112 8.947 -0.512 -18.952 1.00 0.00 O ATOM 1832 CB MET A 112 7.391 2.032 -18.905 1.00 0.00 C ATOM 1833 CG MET A 112 6.238 1.201 -19.502 1.00 0.00 C ATOM 1834 SD MET A 112 5.127 2.132 -20.572 1.00 0.00 S ATOM 1835 CE MET A 112 4.161 3.008 -19.346 1.00 0.00 C ATOM 0 H MET A 112 9.687 2.636 -18.153 1.00 0.00 H new ATOM 0 HA MET A 112 7.444 1.511 -16.823 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.003 3.004 -18.602 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.133 2.213 -19.683 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.660 0.372 -20.070 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.659 0.767 -18.687 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.981 4.028 -19.685 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.207 2.500 -19.203 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.705 3.030 -18.402 1.00 0.00 H new ATOM 1845 N THR A 113 7.835 -0.931 -17.037 1.00 0.00 N ATOM 1846 CA THR A 113 8.072 -2.358 -17.054 1.00 0.00 C ATOM 1847 C THR A 113 6.747 -3.016 -17.482 1.00 0.00 C ATOM 1848 O THR A 113 5.709 -2.346 -17.478 1.00 0.00 O ATOM 1849 CB THR A 113 8.526 -2.816 -15.622 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.541 -1.920 -15.137 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.089 -4.244 -15.602 1.00 0.00 C ATOM 0 H THR A 113 7.255 -0.618 -16.259 1.00 0.00 H new ATOM 0 HA THR A 113 8.862 -2.646 -17.748 1.00 0.00 H new ATOM 0 HB THR A 113 7.640 -2.798 -14.987 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.938 -2.287 -14.320 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.386 -4.504 -14.586 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.325 -4.941 -15.947 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.956 -4.302 -16.259 1.00 0.00 H new ATOM 1859 N GLY A 114 6.765 -4.294 -17.873 1.00 0.00 N ATOM 1860 CA GLY A 114 5.528 -5.031 -18.098 1.00 0.00 C ATOM 1861 C GLY A 114 5.706 -6.518 -17.873 1.00 0.00 C ATOM 1862 O GLY A 114 6.662 -7.119 -18.358 1.00 0.00 O ATOM 0 H GLY A 114 7.616 -4.831 -18.038 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.754 -4.653 -17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.182 -4.857 -19.117 1.00 0.00 H new ATOM 1866 N PHE A 115 4.764 -7.110 -17.144 1.00 0.00 N ATOM 1867 CA PHE A 115 4.766 -8.526 -16.780 1.00 0.00 C ATOM 1868 C PHE A 115 3.464 -9.157 -17.292 1.00 0.00 C ATOM 1869 O PHE A 115 2.472 -8.440 -17.518 1.00 0.00 O ATOM 1870 CB PHE A 115 4.821 -8.693 -15.227 1.00 0.00 C ATOM 1871 CG PHE A 115 5.857 -7.845 -14.475 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.591 -6.504 -14.167 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.068 -8.386 -14.040 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.502 -5.740 -13.463 1.00 0.00 C ATOM 1875 CE2 PHE A 115 7.978 -7.621 -13.334 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.695 -6.300 -13.043 1.00 0.00 C ATOM 0 H PHE A 115 3.956 -6.605 -16.780 1.00 0.00 H new ATOM 0 HA PHE A 115 5.639 -9.009 -17.220 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.835 -8.460 -14.825 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.015 -9.742 -15.005 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.659 -6.061 -14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.298 -9.418 -14.258 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.283 -4.706 -13.241 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.911 -8.057 -13.009 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.405 -5.705 -12.488 1.00 0.00 H new ATOM 1886 N SER A 116 3.461 -10.486 -17.453 1.00 0.00 N ATOM 1887 CA SER A 116 2.209 -11.242 -17.600 1.00 0.00 C ATOM 1888 C SER A 116 2.433 -12.737 -17.297 1.00 0.00 C ATOM 1889 O SER A 116 3.577 -13.215 -17.121 1.00 0.00 O ATOM 1890 CB SER A 116 1.661 -11.063 -19.054 1.00 0.00 C ATOM 1891 OG SER A 116 0.375 -11.644 -19.224 1.00 0.00 O ATOM 0 H SER A 116 4.305 -11.058 -17.485 1.00 0.00 H new ATOM 0 HA SER A 116 1.480 -10.858 -16.886 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.611 -10.001 -19.292 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.357 -11.516 -19.760 1.00 0.00 H new ATOM 0 HG SER A 116 0.264 -11.927 -20.156 1.00 0.00 H new ATOM 1897 N LYS A 117 1.314 -13.466 -17.297 1.00 0.00 N ATOM 1898 CA LYS A 117 1.274 -14.927 -17.230 1.00 0.00 C ATOM 1899 C LYS A 117 1.315 -15.505 -18.647 1.00 0.00 C ATOM 1900 O LYS A 117 1.572 -16.699 -18.833 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.026 -15.372 -16.508 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.077 -15.047 -14.988 1.00 0.00 C ATOM 1903 CD LYS A 117 0.803 -15.970 -14.121 1.00 0.00 C ATOM 1904 CE LYS A 117 0.462 -17.457 -14.301 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.201 -18.313 -13.343 1.00 0.00 N ATOM 0 H LYS A 117 0.387 -13.044 -17.345 1.00 0.00 H new ATOM 0 HA LYS A 117 2.136 -15.295 -16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.876 -14.894 -16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.147 -16.447 -16.639 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.238 -14.014 -14.837 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.109 -15.119 -14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.851 -15.809 -14.374 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.683 -15.699 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.610 -17.603 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.700 -17.763 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.943 -19.309 -13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.224 -18.194 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.955 -18.038 -12.371 1.00 0.00 H new ATOM 1919 N THR A 118 1.090 -14.627 -19.636 1.00 0.00 N ATOM 1920 CA THR A 118 0.905 -14.997 -21.031 1.00 0.00 C ATOM 1921 C THR A 118 2.065 -14.397 -21.845 1.00 0.00 C ATOM 1922 O THR A 118 2.588 -13.330 -21.494 1.00 0.00 O ATOM 1923 CB THR A 118 -0.486 -14.489 -21.568 1.00 0.00 C ATOM 1924 OG1 THR A 118 -1.424 -14.344 -20.479 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.089 -15.466 -22.592 1.00 0.00 C ATOM 0 H THR A 118 1.032 -13.621 -19.476 1.00 0.00 H new ATOM 0 HA THR A 118 0.907 -16.082 -21.131 1.00 0.00 H new ATOM 0 HB THR A 118 -0.308 -13.527 -22.049 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.053 -13.620 -20.683 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.048 -15.082 -22.940 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.411 -15.570 -23.439 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.236 -16.439 -22.124 1.00 0.00 H new ATOM 1933 N THR A 119 2.458 -15.095 -22.920 1.00 0.00 N ATOM 1934 CA THR A 119 3.654 -14.772 -23.715 1.00 0.00 C ATOM 1935 C THR A 119 3.556 -13.403 -24.430 1.00 0.00 C ATOM 1936 O THR A 119 2.476 -12.989 -24.869 1.00 0.00 O ATOM 1937 CB THR A 119 3.958 -15.917 -24.749 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.141 -15.620 -25.507 1.00 0.00 O ATOM 1939 CG2 THR A 119 2.787 -16.184 -25.718 1.00 0.00 C ATOM 0 H THR A 119 1.950 -15.909 -23.267 1.00 0.00 H new ATOM 0 HA THR A 119 4.483 -14.696 -23.011 1.00 0.00 H new ATOM 0 HB THR A 119 4.110 -16.820 -24.158 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.313 -16.346 -26.143 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.059 -16.984 -26.406 1.00 0.00 H new ATOM 0 HG22 THR A 119 1.905 -16.478 -25.150 1.00 0.00 H new ATOM 0 HG23 THR A 119 2.569 -15.278 -26.284 1.00 0.00 H new ATOM 1947 N PHE A 120 4.714 -12.717 -24.493 1.00 0.00 N ATOM 1948 CA PHE A 120 4.919 -11.480 -25.275 1.00 0.00 C ATOM 1949 C PHE A 120 6.433 -11.207 -25.430 1.00 0.00 C ATOM 1950 O PHE A 120 6.850 -10.683 -26.483 1.00 0.00 O ATOM 1951 CB PHE A 120 4.200 -10.254 -24.650 1.00 0.00 C ATOM 1952 CG PHE A 120 4.736 -9.775 -23.298 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.465 -10.485 -22.131 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.510 -8.618 -23.200 1.00 0.00 C ATOM 1955 CE1 PHE A 120 4.945 -10.056 -20.917 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.990 -8.193 -21.979 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.709 -8.914 -20.840 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.200 -11.547 -24.500 1.00 0.00 O ATOM 0 H PHE A 120 5.551 -13.013 -23.991 1.00 0.00 H new ATOM 0 HA PHE A 120 4.473 -11.633 -26.258 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.259 -9.425 -25.356 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.144 -10.498 -24.533 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.870 -11.385 -22.181 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.736 -8.049 -24.090 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.722 -10.616 -20.021 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.586 -7.295 -21.916 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.089 -8.583 -19.885 1.00 0.00 H new TER 1968 PHE A 120