USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=33 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 98 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.1!) USER MOD Set 1.2: A 100 MET CE :methyl -170:sc= -0.032 (180deg=-0.277) USER MOD Set 1.3: A 112 MET CE :methyl -119:sc= -0.0146 (180deg=-0.158) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.118 K(o=1.1,f=-1.6) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -106:sc= 1.01 (180deg=0.0717) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0989 (180deg=-0.504) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.548 (180deg=0.175) USER MOD Single : A 2 LYS NZ :NH3+ -140:sc= 0.607 (180deg=-2.25!) USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= 0.307 (180deg=0.122) USER MOD Single : A 7 ASN : amide:sc= -0.449 K(o=-0.45,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0723) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.0427 X(o=0.043,f=-0.32) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.415 F(o=-3.3,f=-0.41) USER MOD Single : A 27 SER OG : rot 180:sc= 0.122 USER MOD Single : A 34 LYS NZ :NH3+ 160:sc=-0.00189 (180deg=-0.0855) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -121:sc= -0.0337 (180deg=-0.817) USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.116 USER MOD Single : A 56 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-0.98) USER MOD Single : A 57 SER OG : rot 67:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00522 USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= 0.734 (180deg=0.365) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.63 F(o=-1.9,f=-0.63) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -158:sc= -0.594 (180deg=-0.943) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.25) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 134:sc= -0.735 (180deg=-2.96!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.139 K(o=-0.14,f=-3.4!) USER MOD Single : A 84 MET CE :methyl 169:sc= -1.11 (180deg=-1.51) USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= 1.28 (180deg=-0.888!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= -0.566 (180deg=-0.632) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -72:sc= 1.29 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 69:sc= 0.233 USER MOD Single : A 116 SER OG : rot -131:sc= 0.464 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= -0.863 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.530 -22.431 15.231 1.00 0.00 N ATOM 2 CA MET A 1 -3.459 -21.738 15.979 1.00 0.00 C ATOM 3 C MET A 1 -2.930 -20.555 15.160 1.00 0.00 C ATOM 4 O MET A 1 -2.876 -19.417 15.645 1.00 0.00 O ATOM 5 CB MET A 1 -2.305 -22.714 16.326 1.00 0.00 C ATOM 6 CG MET A 1 -2.688 -23.843 17.291 1.00 0.00 C ATOM 7 SD MET A 1 -1.292 -24.916 17.692 1.00 0.00 S ATOM 8 CE MET A 1 -0.160 -23.785 18.511 1.00 0.00 C ATOM 0 H1 MET A 1 -5.423 -22.361 15.759 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.644 -21.987 14.297 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.277 -23.432 15.110 1.00 0.00 H new ATOM 0 HA MET A 1 -3.877 -21.364 16.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.931 -23.155 15.402 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.485 -22.144 16.762 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.086 -23.412 18.210 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.485 -24.440 16.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.563 -24.354 19.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.365 -23.190 17.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.721 -23.124 19.172 1.00 0.00 H new ATOM 18 N LYS A 2 -2.530 -20.842 13.910 1.00 0.00 N ATOM 19 CA LYS A 2 -2.020 -19.833 12.965 1.00 0.00 C ATOM 20 C LYS A 2 -2.794 -19.964 11.645 1.00 0.00 C ATOM 21 O LYS A 2 -3.762 -19.240 11.433 1.00 0.00 O ATOM 22 CB LYS A 2 -0.491 -20.010 12.744 1.00 0.00 C ATOM 23 CG LYS A 2 0.363 -19.944 14.030 1.00 0.00 C ATOM 24 CD LYS A 2 1.818 -20.451 13.846 1.00 0.00 C ATOM 25 CE LYS A 2 2.723 -19.503 13.033 1.00 0.00 C ATOM 26 NZ LYS A 2 2.340 -19.395 11.603 1.00 0.00 N ATOM 0 H LYS A 2 -2.551 -21.786 13.524 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.171 -18.833 13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.317 -20.970 12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.146 -19.238 12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.390 -18.913 14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.122 -20.535 14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.263 -20.605 14.829 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.792 -21.422 13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.694 -18.511 13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.753 -19.853 13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.197 -19.372 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.759 -20.215 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.795 -18.522 11.455 1.00 0.00 H new ATOM 40 N GLU A 3 -2.390 -20.947 10.798 1.00 0.00 N ATOM 41 CA GLU A 3 -2.986 -21.206 9.453 1.00 0.00 C ATOM 42 C GLU A 3 -2.909 -19.962 8.522 1.00 0.00 C ATOM 43 O GLU A 3 -3.610 -19.890 7.510 1.00 0.00 O ATOM 44 CB GLU A 3 -4.462 -21.736 9.564 1.00 0.00 C ATOM 45 CG GLU A 3 -4.654 -23.055 10.363 1.00 0.00 C ATOM 46 CD GLU A 3 -4.535 -22.882 11.892 1.00 0.00 C ATOM 47 OE1 GLU A 3 -5.392 -22.192 12.485 1.00 0.00 O ATOM 48 OE2 GLU A 3 -3.579 -23.404 12.513 1.00 0.00 O ATOM 0 H GLU A 3 -1.633 -21.591 11.029 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.382 -21.989 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.071 -20.961 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.850 -21.885 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.634 -23.471 10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.912 -23.781 10.030 1.00 0.00 H new ATOM 55 N VAL A 4 -2.017 -19.013 8.872 1.00 0.00 N ATOM 56 CA VAL A 4 -1.852 -17.702 8.196 1.00 0.00 C ATOM 57 C VAL A 4 -0.380 -17.269 8.250 1.00 0.00 C ATOM 58 O VAL A 4 0.415 -17.836 9.003 1.00 0.00 O ATOM 59 CB VAL A 4 -2.740 -16.585 8.866 1.00 0.00 C ATOM 60 CG1 VAL A 4 -4.248 -16.777 8.570 1.00 0.00 C ATOM 61 CG2 VAL A 4 -2.478 -16.520 10.390 1.00 0.00 C ATOM 0 H VAL A 4 -1.373 -19.137 9.653 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.173 -17.823 7.161 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.450 -15.633 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.818 -15.983 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.415 -16.740 7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.574 -17.743 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.101 -15.743 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.721 -17.482 10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.428 -16.290 10.569 1.00 0.00 H new ATOM 71 N GLU A 5 -0.010 -16.318 7.375 1.00 0.00 N ATOM 72 CA GLU A 5 1.325 -15.678 7.389 1.00 0.00 C ATOM 73 C GLU A 5 1.237 -14.134 7.378 1.00 0.00 C ATOM 74 O GLU A 5 2.062 -13.459 8.001 1.00 0.00 O ATOM 75 CB GLU A 5 2.181 -16.192 6.182 1.00 0.00 C ATOM 76 CG GLU A 5 1.707 -15.786 4.759 1.00 0.00 C ATOM 77 CD GLU A 5 0.381 -16.435 4.312 1.00 0.00 C ATOM 78 OE1 GLU A 5 0.407 -17.530 3.717 1.00 0.00 O ATOM 79 OE2 GLU A 5 -0.697 -15.854 4.554 1.00 0.00 O ATOM 0 H GLU A 5 -0.623 -15.969 6.638 1.00 0.00 H new ATOM 0 HA GLU A 5 1.813 -15.960 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.202 -15.834 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.216 -17.280 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.596 -14.702 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.485 -16.050 4.043 1.00 0.00 H new ATOM 86 N LYS A 6 0.293 -13.601 6.583 1.00 0.00 N ATOM 87 CA LYS A 6 0.034 -12.135 6.509 1.00 0.00 C ATOM 88 C LYS A 6 -0.272 -11.562 7.915 1.00 0.00 C ATOM 89 O LYS A 6 0.274 -10.532 8.332 1.00 0.00 O ATOM 90 CB LYS A 6 -1.173 -11.877 5.575 1.00 0.00 C ATOM 91 CG LYS A 6 -1.048 -12.522 4.179 1.00 0.00 C ATOM 92 CD LYS A 6 -2.360 -12.448 3.363 1.00 0.00 C ATOM 93 CE LYS A 6 -2.305 -13.295 2.087 1.00 0.00 C ATOM 94 NZ LYS A 6 -2.074 -14.730 2.374 1.00 0.00 N ATOM 0 H LYS A 6 -0.310 -14.158 5.977 1.00 0.00 H new ATOM 0 HA LYS A 6 0.923 -11.641 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.076 -12.253 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.300 -10.801 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.252 -12.025 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.754 -13.566 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.190 -12.785 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.561 -11.410 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.240 -13.182 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.510 -12.923 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.231 -15.056 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.928 -14.861 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.901 -15.282 2.069 1.00 0.00 H new ATOM 108 N ASN A 7 -1.190 -12.274 8.578 1.00 0.00 N ATOM 109 CA ASN A 7 -1.558 -11.973 9.986 1.00 0.00 C ATOM 110 C ASN A 7 -0.310 -11.922 10.912 1.00 0.00 C ATOM 111 O ASN A 7 -0.313 -11.220 11.937 1.00 0.00 O ATOM 112 CB ASN A 7 -2.556 -13.022 10.518 1.00 0.00 C ATOM 113 CG ASN A 7 -3.838 -13.158 9.684 1.00 0.00 C ATOM 114 OD1 ASN A 7 -3.877 -12.841 8.495 1.00 0.00 O ATOM 115 ND2 ASN A 7 -4.875 -13.721 10.273 1.00 0.00 N ATOM 0 H ASN A 7 -1.696 -13.062 8.173 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.025 -10.988 9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.059 -13.991 10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.828 -12.761 11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.727 -13.901 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.825 -13.977 11.259 1.00 0.00 H new ATOM 122 N GLU A 8 0.772 -12.632 10.529 1.00 0.00 N ATOM 123 CA GLU A 8 2.016 -12.661 11.317 1.00 0.00 C ATOM 124 C GLU A 8 2.870 -11.412 11.068 1.00 0.00 C ATOM 125 O GLU A 8 3.629 -11.005 11.966 1.00 0.00 O ATOM 126 CB GLU A 8 2.815 -13.977 11.055 1.00 0.00 C ATOM 127 CG GLU A 8 2.472 -15.152 12.000 1.00 0.00 C ATOM 128 CD GLU A 8 1.035 -15.740 11.870 1.00 0.00 C ATOM 129 OE1 GLU A 8 0.040 -15.028 12.123 1.00 0.00 O ATOM 130 OE2 GLU A 8 0.903 -16.940 11.575 1.00 0.00 O ATOM 0 H GLU A 8 0.806 -13.192 9.677 1.00 0.00 H new ATOM 0 HA GLU A 8 1.743 -12.651 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.636 -14.294 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.880 -13.761 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.188 -15.954 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.614 -14.818 13.028 1.00 0.00 H new ATOM 137 N ILE A 9 2.780 -10.771 9.880 1.00 0.00 N ATOM 138 CA ILE A 9 3.364 -9.433 9.655 1.00 0.00 C ATOM 139 C ILE A 9 2.581 -8.374 10.445 1.00 0.00 C ATOM 140 O ILE A 9 3.165 -7.426 10.988 1.00 0.00 O ATOM 141 CB ILE A 9 3.395 -9.065 8.120 1.00 0.00 C ATOM 142 CG1 ILE A 9 4.063 -10.212 7.278 1.00 0.00 C ATOM 143 CG2 ILE A 9 4.099 -7.703 7.869 1.00 0.00 C ATOM 144 CD1 ILE A 9 5.493 -10.576 7.674 1.00 0.00 C ATOM 0 H ILE A 9 2.308 -11.161 9.064 1.00 0.00 H new ATOM 0 HA ILE A 9 4.394 -9.453 10.010 1.00 0.00 H new ATOM 0 HB ILE A 9 2.362 -8.961 7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.444 -11.106 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.060 -9.917 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.100 -7.485 6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.565 -6.914 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.126 -7.752 8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.856 -11.377 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.135 -9.702 7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.510 -10.909 8.712 1.00 0.00 H new ATOM 156 N LYS A 10 1.253 -8.567 10.523 1.00 0.00 N ATOM 157 CA LYS A 10 0.379 -7.760 11.393 1.00 0.00 C ATOM 158 C LYS A 10 0.801 -7.925 12.867 1.00 0.00 C ATOM 159 O LYS A 10 0.691 -6.994 13.648 1.00 0.00 O ATOM 160 CB LYS A 10 -1.104 -8.169 11.195 1.00 0.00 C ATOM 161 CG LYS A 10 -2.089 -7.503 12.179 1.00 0.00 C ATOM 162 CD LYS A 10 -3.546 -7.968 11.991 1.00 0.00 C ATOM 163 CE LYS A 10 -4.472 -7.397 13.073 1.00 0.00 C ATOM 164 NZ LYS A 10 -4.197 -7.966 14.415 1.00 0.00 N ATOM 0 H LYS A 10 0.758 -9.281 9.989 1.00 0.00 H new ATOM 0 HA LYS A 10 0.481 -6.709 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.403 -7.920 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.186 -9.251 11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.774 -7.720 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.041 -6.421 12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.902 -7.659 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.586 -9.057 12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.356 -6.314 13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.509 -7.598 12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.950 -7.681 15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.166 -9.004 14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.282 -7.613 14.761 1.00 0.00 H new ATOM 178 N ARG A 11 1.338 -9.114 13.191 1.00 0.00 N ATOM 179 CA ARG A 11 1.805 -9.462 14.547 1.00 0.00 C ATOM 180 C ARG A 11 3.153 -8.754 14.910 1.00 0.00 C ATOM 181 O ARG A 11 3.326 -8.317 16.052 1.00 0.00 O ATOM 182 CB ARG A 11 1.893 -11.001 14.696 1.00 0.00 C ATOM 183 CG ARG A 11 2.524 -11.505 16.010 1.00 0.00 C ATOM 184 CD ARG A 11 2.349 -13.020 16.201 1.00 0.00 C ATOM 185 NE ARG A 11 0.929 -13.382 16.435 1.00 0.00 N ATOM 186 CZ ARG A 11 0.245 -14.350 15.803 1.00 0.00 C ATOM 187 NH1 ARG A 11 0.827 -15.108 14.899 1.00 0.00 N ATOM 188 NH2 ARG A 11 -1.020 -14.566 16.108 1.00 0.00 N ATOM 0 H ARG A 11 1.462 -9.867 12.515 1.00 0.00 H new ATOM 0 HA ARG A 11 1.074 -9.091 15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.888 -11.415 14.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.470 -11.397 13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.586 -11.261 16.017 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.071 -10.981 16.852 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.718 -13.543 15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.953 -13.353 17.045 1.00 0.00 H new ATOM 0 HE ARG A 11 0.425 -12.846 17.142 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.811 -14.965 14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.295 -15.839 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.476 -13.999 16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.542 -15.300 15.630 1.00 0.00 H new ATOM 202 N LEU A 12 4.126 -8.655 13.976 1.00 0.00 N ATOM 203 CA LEU A 12 5.382 -7.874 14.249 1.00 0.00 C ATOM 204 C LEU A 12 5.113 -6.334 14.266 1.00 0.00 C ATOM 205 O LEU A 12 5.613 -5.621 15.143 1.00 0.00 O ATOM 206 CB LEU A 12 6.542 -8.301 13.294 1.00 0.00 C ATOM 207 CG LEU A 12 6.249 -8.286 11.752 1.00 0.00 C ATOM 208 CD1 LEU A 12 6.707 -6.975 11.078 1.00 0.00 C ATOM 209 CD2 LEU A 12 6.854 -9.517 11.044 1.00 0.00 C ATOM 0 H LEU A 12 4.083 -9.086 13.052 1.00 0.00 H new ATOM 0 HA LEU A 12 5.722 -8.121 15.255 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.392 -7.645 13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.851 -9.310 13.569 1.00 0.00 H new ATOM 0 HG LEU A 12 5.166 -8.338 11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.482 -7.016 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.182 -6.132 11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.781 -6.850 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.630 -9.470 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.934 -9.525 11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.425 -10.426 11.465 1.00 0.00 H new ATOM 221 N SER A 13 4.367 -5.833 13.260 1.00 0.00 N ATOM 222 CA SER A 13 3.726 -4.475 13.341 1.00 0.00 C ATOM 223 C SER A 13 2.971 -4.267 14.690 1.00 0.00 C ATOM 224 O SER A 13 3.043 -3.204 15.282 1.00 0.00 O ATOM 225 CB SER A 13 2.770 -4.281 12.146 1.00 0.00 C ATOM 226 OG SER A 13 2.157 -2.999 12.151 1.00 0.00 O ATOM 0 H SER A 13 4.187 -6.329 12.387 1.00 0.00 H new ATOM 0 HA SER A 13 4.516 -3.725 13.299 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.322 -4.414 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.999 -5.051 12.171 1.00 0.00 H new ATOM 0 HG SER A 13 1.561 -2.918 11.377 1.00 0.00 H new ATOM 232 N ASP A 14 2.327 -5.359 15.132 1.00 0.00 N ATOM 233 CA ASP A 14 1.588 -5.379 16.442 1.00 0.00 C ATOM 234 C ASP A 14 2.599 -5.132 17.597 1.00 0.00 C ATOM 235 O ASP A 14 2.303 -4.414 18.560 1.00 0.00 O ATOM 236 CB ASP A 14 0.793 -6.691 16.669 1.00 0.00 C ATOM 237 CG ASP A 14 -0.060 -6.715 17.950 1.00 0.00 C ATOM 238 OD1 ASP A 14 0.441 -7.142 19.014 1.00 0.00 O ATOM 239 OD2 ASP A 14 -1.249 -6.333 17.894 1.00 0.00 O ATOM 0 H ASP A 14 2.292 -6.241 14.620 1.00 0.00 H new ATOM 0 HA ASP A 14 0.844 -4.582 16.420 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.141 -6.857 15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.495 -7.524 16.701 1.00 0.00 H new ATOM 244 N ARG A 15 3.799 -5.716 17.432 1.00 0.00 N ATOM 245 CA ARG A 15 4.898 -5.591 18.409 1.00 0.00 C ATOM 246 C ARG A 15 5.435 -4.139 18.532 1.00 0.00 C ATOM 247 O ARG A 15 5.497 -3.612 19.642 1.00 0.00 O ATOM 248 CB ARG A 15 6.061 -6.571 18.092 1.00 0.00 C ATOM 249 CG ARG A 15 7.185 -6.567 19.147 1.00 0.00 C ATOM 250 CD ARG A 15 6.683 -6.947 20.550 1.00 0.00 C ATOM 251 NE ARG A 15 7.739 -6.805 21.563 1.00 0.00 N ATOM 252 CZ ARG A 15 7.540 -6.486 22.846 1.00 0.00 C ATOM 253 NH1 ARG A 15 6.325 -6.187 23.302 1.00 0.00 N ATOM 254 NH2 ARG A 15 8.564 -6.470 23.672 1.00 0.00 N ATOM 0 H ARG A 15 4.035 -6.287 16.620 1.00 0.00 H new ATOM 0 HA ARG A 15 4.469 -5.860 19.374 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.659 -7.581 18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.486 -6.314 17.122 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.965 -7.265 18.843 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.640 -5.577 19.184 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.836 -6.315 20.817 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.323 -7.976 20.541 1.00 0.00 H new ATOM 0 HE ARG A 15 8.701 -6.963 21.263 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.525 -6.199 22.669 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.194 -5.946 24.284 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.498 -6.699 23.331 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.424 -6.228 24.653 1.00 0.00 H new ATOM 268 N LEU A 16 5.857 -3.505 17.417 1.00 0.00 N ATOM 269 CA LEU A 16 6.431 -2.122 17.458 1.00 0.00 C ATOM 270 C LEU A 16 5.324 -1.095 17.818 1.00 0.00 C ATOM 271 O LEU A 16 5.565 -0.137 18.547 1.00 0.00 O ATOM 272 CB LEU A 16 7.111 -1.788 16.078 1.00 0.00 C ATOM 273 CG LEU A 16 8.469 -0.995 16.128 1.00 0.00 C ATOM 274 CD1 LEU A 16 8.303 0.439 16.680 1.00 0.00 C ATOM 275 CD2 LEU A 16 9.533 -1.777 16.927 1.00 0.00 C ATOM 0 H LEU A 16 5.817 -3.914 16.483 1.00 0.00 H new ATOM 0 HA LEU A 16 7.196 -2.065 18.232 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.285 -2.725 15.550 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.403 -1.212 15.482 1.00 0.00 H new ATOM 0 HG LEU A 16 8.812 -0.894 15.098 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.272 0.939 16.692 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.615 0.996 16.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.905 0.395 17.694 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.463 -1.209 16.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.180 -1.933 17.947 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.708 -2.742 16.452 1.00 0.00 H new ATOM 287 N ASP A 17 4.142 -1.329 17.228 1.00 0.00 N ATOM 288 CA ASP A 17 2.883 -0.620 17.619 1.00 0.00 C ATOM 289 C ASP A 17 2.741 -0.621 19.159 1.00 0.00 C ATOM 290 O ASP A 17 2.448 0.407 19.761 1.00 0.00 O ATOM 291 CB ASP A 17 1.613 -1.227 16.986 1.00 0.00 C ATOM 292 CG ASP A 17 0.346 -0.394 17.256 1.00 0.00 C ATOM 293 OD1 ASP A 17 0.102 0.580 16.519 1.00 0.00 O ATOM 294 OD2 ASP A 17 -0.406 -0.692 18.215 1.00 0.00 O ATOM 0 H ASP A 17 4.017 -2.004 16.474 1.00 0.00 H new ATOM 0 HA ASP A 17 2.969 0.398 17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.759 -1.318 15.910 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.467 -2.235 17.374 1.00 0.00 H new ATOM 299 N ALA A 18 3.016 -1.788 19.767 1.00 0.00 N ATOM 300 CA ALA A 18 2.996 -1.977 21.225 1.00 0.00 C ATOM 301 C ALA A 18 4.153 -1.214 21.908 1.00 0.00 C ATOM 302 O ALA A 18 3.980 -0.716 23.009 1.00 0.00 O ATOM 303 CB ALA A 18 3.031 -3.468 21.583 1.00 0.00 C ATOM 0 H ALA A 18 3.261 -2.634 19.253 1.00 0.00 H new ATOM 0 HA ALA A 18 2.061 -1.561 21.601 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.015 -3.582 22.667 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.162 -3.966 21.153 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.941 -3.917 21.184 1.00 0.00 H new ATOM 309 N ILE A 19 5.333 -1.146 21.252 1.00 0.00 N ATOM 310 CA ILE A 19 6.530 -0.453 21.789 1.00 0.00 C ATOM 311 C ILE A 19 6.365 1.091 21.779 1.00 0.00 C ATOM 312 O ILE A 19 6.637 1.726 22.793 1.00 0.00 O ATOM 313 CB ILE A 19 7.859 -0.901 21.063 1.00 0.00 C ATOM 314 CG1 ILE A 19 8.116 -2.427 21.327 1.00 0.00 C ATOM 315 CG2 ILE A 19 9.085 -0.047 21.508 1.00 0.00 C ATOM 316 CD1 ILE A 19 9.411 -2.979 20.752 1.00 0.00 C ATOM 0 H ILE A 19 5.484 -1.569 20.336 1.00 0.00 H new ATOM 0 HA ILE A 19 6.620 -0.760 22.831 1.00 0.00 H new ATOM 0 HB ILE A 19 7.732 -0.736 19.993 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.114 -2.597 22.404 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.283 -2.995 20.913 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.977 -0.390 20.984 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.904 1.001 21.269 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.232 -0.154 22.583 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.492 -4.040 20.990 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.413 -2.849 19.670 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.258 -2.445 21.183 1.00 0.00 H new ATOM 328 N ARG A 20 5.954 1.709 20.648 1.00 0.00 N ATOM 329 CA ARG A 20 5.566 3.140 20.595 1.00 0.00 C ATOM 330 C ARG A 20 4.363 3.434 21.512 1.00 0.00 C ATOM 331 O ARG A 20 4.203 4.544 21.969 1.00 0.00 O ATOM 332 CB ARG A 20 5.276 3.571 19.114 1.00 0.00 C ATOM 333 CG ARG A 20 4.011 2.945 18.427 1.00 0.00 C ATOM 334 CD ARG A 20 2.694 3.721 18.695 1.00 0.00 C ATOM 335 NE ARG A 20 1.471 2.936 18.390 1.00 0.00 N ATOM 336 CZ ARG A 20 0.244 3.197 18.892 1.00 0.00 C ATOM 337 NH1 ARG A 20 0.057 4.217 19.708 1.00 0.00 N ATOM 338 NH2 ARG A 20 -0.796 2.443 18.565 1.00 0.00 N ATOM 0 H ARG A 20 5.882 1.233 19.749 1.00 0.00 H new ATOM 0 HA ARG A 20 6.402 3.733 20.966 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.173 4.656 19.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.149 3.321 18.511 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.180 2.899 17.351 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.893 1.919 18.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.668 4.027 19.741 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.690 4.632 18.096 1.00 0.00 H new ATOM 0 HE ARG A 20 1.564 2.143 17.756 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.842 4.816 19.964 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.873 4.407 20.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.675 1.656 17.928 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.717 2.650 18.951 1.00 0.00 H new ATOM 352 N HIS A 21 3.507 2.411 21.702 1.00 0.00 N ATOM 353 CA HIS A 21 2.367 2.476 22.652 1.00 0.00 C ATOM 354 C HIS A 21 2.920 2.543 24.089 1.00 0.00 C ATOM 355 O HIS A 21 2.449 3.299 24.926 1.00 0.00 O ATOM 356 CB HIS A 21 1.419 1.264 22.503 1.00 0.00 C ATOM 357 CG HIS A 21 0.015 1.502 22.985 1.00 0.00 C ATOM 358 ND1 HIS A 21 -0.305 1.793 24.295 1.00 0.00 N ATOM 359 CD2 HIS A 21 -1.159 1.509 22.309 1.00 0.00 C ATOM 360 CE1 HIS A 21 -1.604 1.964 24.395 1.00 0.00 C ATOM 361 NE2 HIS A 21 -2.144 1.798 23.209 1.00 0.00 N ATOM 0 H HIS A 21 3.580 1.521 21.208 1.00 0.00 H new ATOM 0 HA HIS A 21 1.783 3.369 22.428 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.384 0.974 21.453 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.839 0.421 23.052 1.00 0.00 H new ATOM 0 HD1 HIS A 21 0.361 1.864 25.064 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.291 1.321 21.254 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.139 2.202 25.302 1.00 0.00 H new ATOM 370 N GLN A 22 3.961 1.744 24.297 1.00 0.00 N ATOM 371 CA GLN A 22 4.659 1.589 25.575 1.00 0.00 C ATOM 372 C GLN A 22 5.437 2.856 25.954 1.00 0.00 C ATOM 373 O GLN A 22 5.440 3.235 27.109 1.00 0.00 O ATOM 374 CB GLN A 22 5.596 0.374 25.460 1.00 0.00 C ATOM 375 CG GLN A 22 6.618 0.191 26.583 1.00 0.00 C ATOM 376 CD GLN A 22 7.591 -0.941 26.300 1.00 0.00 C ATOM 377 OE1 GLN A 22 8.023 -1.080 25.043 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 8.014 -1.639 27.208 1.00 0.00 N flip ATOM 0 H GLN A 22 4.358 1.165 23.557 1.00 0.00 H new ATOM 0 HA GLN A 22 3.932 1.428 26.371 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.983 -0.526 25.407 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.136 0.448 24.516 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.174 1.119 26.720 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.095 -0.008 27.518 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.664 -1.508 28.157 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.717 -2.353 27.017 1.00 0.00 H new ATOM 387 N GLN A 23 6.075 3.507 24.974 1.00 0.00 N ATOM 388 CA GLN A 23 6.869 4.743 25.188 1.00 0.00 C ATOM 389 C GLN A 23 5.952 5.983 25.053 1.00 0.00 C ATOM 390 O GLN A 23 6.352 7.108 25.312 1.00 0.00 O ATOM 391 CB GLN A 23 8.033 4.787 24.171 1.00 0.00 C ATOM 392 CG GLN A 23 8.917 3.531 24.191 1.00 0.00 C ATOM 393 CD GLN A 23 10.073 3.570 23.192 1.00 0.00 C ATOM 394 OE1 GLN A 23 9.921 3.200 22.030 1.00 0.00 O ATOM 395 NE2 GLN A 23 11.246 3.979 23.649 1.00 0.00 N ATOM 0 H GLN A 23 6.061 3.197 24.002 1.00 0.00 H new ATOM 0 HA GLN A 23 7.292 4.747 26.193 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.624 4.917 23.169 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.652 5.660 24.378 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.322 3.400 25.195 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.297 2.659 23.980 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.339 4.280 24.619 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.057 3.993 23.031 1.00 0.00 H new ATOM 404 N ALA A 24 4.788 5.742 24.454 1.00 0.00 N ATOM 405 CA ALA A 24 3.599 6.620 24.635 1.00 0.00 C ATOM 406 C ALA A 24 3.177 6.629 26.123 1.00 0.00 C ATOM 407 O ALA A 24 2.852 7.680 26.677 1.00 0.00 O ATOM 408 CB ALA A 24 2.420 6.242 23.726 1.00 0.00 C ATOM 0 H ALA A 24 4.627 4.948 23.835 1.00 0.00 H new ATOM 0 HA ALA A 24 3.892 7.626 24.334 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.587 6.921 23.909 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.727 6.316 22.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.108 5.220 23.941 1.00 0.00 H new ATOM 414 N ASP A 25 3.198 5.432 26.751 1.00 0.00 N ATOM 415 CA ASP A 25 2.877 5.296 28.200 1.00 0.00 C ATOM 416 C ASP A 25 4.085 5.691 29.091 1.00 0.00 C ATOM 417 O ASP A 25 3.912 6.084 30.246 1.00 0.00 O ATOM 418 CB ASP A 25 2.438 3.840 28.527 1.00 0.00 C ATOM 419 CG ASP A 25 1.083 3.444 27.905 1.00 0.00 C ATOM 420 OD1 ASP A 25 0.079 4.141 28.168 1.00 0.00 O ATOM 421 OD2 ASP A 25 0.997 2.421 27.184 1.00 0.00 O ATOM 0 H ASP A 25 3.430 4.553 26.289 1.00 0.00 H new ATOM 0 HA ASP A 25 2.055 5.978 28.417 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.205 3.151 28.173 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.379 3.723 29.609 1.00 0.00 H new ATOM 426 N LEU A 26 5.303 5.560 28.534 1.00 0.00 N ATOM 427 CA LEU A 26 6.549 5.903 29.276 1.00 0.00 C ATOM 428 C LEU A 26 7.130 7.227 28.787 1.00 0.00 C ATOM 429 O LEU A 26 6.808 7.694 27.710 1.00 0.00 O ATOM 430 CB LEU A 26 7.630 4.797 29.154 1.00 0.00 C ATOM 431 CG LEU A 26 7.252 3.389 29.710 1.00 0.00 C ATOM 432 CD1 LEU A 26 8.458 2.437 29.666 1.00 0.00 C ATOM 433 CD2 LEU A 26 6.652 3.467 31.131 1.00 0.00 C ATOM 0 H LEU A 26 5.460 5.224 27.584 1.00 0.00 H new ATOM 0 HA LEU A 26 6.267 5.991 30.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.890 4.689 28.101 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.527 5.138 29.671 1.00 0.00 H new ATOM 0 HG LEU A 26 6.477 2.984 29.060 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.167 1.463 30.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.797 2.326 28.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.267 2.846 30.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.404 2.463 31.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.379 3.915 31.809 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.749 4.077 31.112 1.00 0.00 H new ATOM 445 N SER A 27 7.969 7.843 29.614 1.00 0.00 N ATOM 446 CA SER A 27 8.730 9.037 29.223 1.00 0.00 C ATOM 447 C SER A 27 10.196 8.658 28.977 1.00 0.00 C ATOM 448 O SER A 27 10.681 7.629 29.470 1.00 0.00 O ATOM 449 CB SER A 27 8.623 10.123 30.314 1.00 0.00 C ATOM 450 OG SER A 27 9.317 11.309 29.944 1.00 0.00 O ATOM 0 H SER A 27 8.144 7.535 30.570 1.00 0.00 H new ATOM 0 HA SER A 27 8.312 9.441 28.301 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.574 10.356 30.494 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.030 9.740 31.250 1.00 0.00 H new ATOM 0 HG SER A 27 9.227 11.976 30.656 1.00 0.00 H new ATOM 456 N LEU A 28 10.893 9.490 28.189 1.00 0.00 N ATOM 457 CA LEU A 28 12.354 9.388 28.020 1.00 0.00 C ATOM 458 C LEU A 28 13.085 9.789 29.319 1.00 0.00 C ATOM 459 O LEU A 28 14.188 9.305 29.583 1.00 0.00 O ATOM 460 CB LEU A 28 12.852 10.173 26.740 1.00 0.00 C ATOM 461 CG LEU A 28 12.881 11.752 26.704 1.00 0.00 C ATOM 462 CD1 LEU A 28 11.565 12.396 27.173 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.104 12.334 27.449 1.00 0.00 C ATOM 0 H LEU A 28 10.467 10.247 27.654 1.00 0.00 H new ATOM 0 HA LEU A 28 12.610 8.345 27.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.866 9.832 26.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.230 9.848 25.906 1.00 0.00 H new ATOM 0 HG LEU A 28 12.988 12.018 25.652 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.653 13.481 27.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.750 12.068 26.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.359 12.095 28.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.078 13.422 27.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.077 12.021 28.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.020 11.969 26.985 1.00 0.00 H new ATOM 475 N VAL A 29 12.441 10.659 30.132 1.00 0.00 N ATOM 476 CA VAL A 29 13.032 11.188 31.375 1.00 0.00 C ATOM 477 C VAL A 29 12.934 10.150 32.514 1.00 0.00 C ATOM 478 O VAL A 29 13.918 9.456 32.803 1.00 0.00 O ATOM 479 CB VAL A 29 12.376 12.557 31.804 1.00 0.00 C ATOM 480 CG1 VAL A 29 13.075 13.150 33.054 1.00 0.00 C ATOM 481 CG2 VAL A 29 12.382 13.576 30.641 1.00 0.00 C ATOM 0 H VAL A 29 11.502 11.010 29.943 1.00 0.00 H new ATOM 0 HA VAL A 29 14.086 11.383 31.176 1.00 0.00 H new ATOM 0 HB VAL A 29 11.338 12.350 32.064 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.599 14.093 33.324 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.990 12.450 33.885 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.128 13.325 32.833 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.923 14.508 30.971 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.409 13.768 30.331 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.818 13.172 29.800 1.00 0.00 H new ATOM 491 N GLU A 30 11.732 10.031 33.145 1.00 0.00 N ATOM 492 CA GLU A 30 11.480 9.178 34.344 1.00 0.00 C ATOM 493 C GLU A 30 11.658 7.658 34.087 1.00 0.00 C ATOM 494 O GLU A 30 11.411 6.841 34.985 1.00 0.00 O ATOM 495 CB GLU A 30 10.054 9.476 34.905 1.00 0.00 C ATOM 496 CG GLU A 30 8.876 9.248 33.924 1.00 0.00 C ATOM 497 CD GLU A 30 8.461 7.773 33.724 1.00 0.00 C ATOM 498 OE1 GLU A 30 8.161 7.097 34.725 1.00 0.00 O ATOM 499 OE2 GLU A 30 8.399 7.297 32.571 1.00 0.00 O ATOM 0 H GLU A 30 10.900 10.531 32.832 1.00 0.00 H new ATOM 0 HA GLU A 30 12.240 9.440 35.080 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.894 8.853 35.785 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.026 10.513 35.240 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.012 9.806 34.284 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.145 9.667 32.955 1.00 0.00 H new ATOM 506 N ALA A 31 12.093 7.279 32.887 1.00 0.00 N ATOM 507 CA ALA A 31 12.323 5.890 32.520 1.00 0.00 C ATOM 508 C ALA A 31 13.547 5.832 31.614 1.00 0.00 C ATOM 509 O ALA A 31 13.533 5.122 30.638 1.00 0.00 O ATOM 510 CB ALA A 31 11.064 5.312 31.829 1.00 0.00 C ATOM 0 H ALA A 31 12.297 7.938 32.136 1.00 0.00 H new ATOM 0 HA ALA A 31 12.512 5.281 33.404 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.243 4.272 31.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.216 5.367 32.512 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.845 5.889 30.931 1.00 0.00 H new ATOM 516 N ALA A 32 14.611 6.583 31.989 1.00 0.00 N ATOM 517 CA ALA A 32 15.819 6.800 31.160 1.00 0.00 C ATOM 518 C ALA A 32 16.347 5.518 30.463 1.00 0.00 C ATOM 519 O ALA A 32 16.135 5.357 29.259 1.00 0.00 O ATOM 520 CB ALA A 32 16.916 7.468 32.006 1.00 0.00 C ATOM 0 H ALA A 32 14.653 7.061 32.889 1.00 0.00 H new ATOM 0 HA ALA A 32 15.526 7.463 30.346 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.803 7.626 31.393 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.556 8.428 32.377 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.168 6.825 32.849 1.00 0.00 H new ATOM 526 N ASP A 33 17.054 4.640 31.211 1.00 0.00 N ATOM 527 CA ASP A 33 17.600 3.364 30.688 1.00 0.00 C ATOM 528 C ASP A 33 16.513 2.406 30.153 1.00 0.00 C ATOM 529 O ASP A 33 16.774 1.668 29.218 1.00 0.00 O ATOM 530 CB ASP A 33 18.457 2.649 31.770 1.00 0.00 C ATOM 531 CG ASP A 33 19.113 1.337 31.268 1.00 0.00 C ATOM 532 OD1 ASP A 33 20.018 1.416 30.412 1.00 0.00 O ATOM 533 OD2 ASP A 33 18.730 0.238 31.723 1.00 0.00 O ATOM 0 H ASP A 33 17.263 4.796 32.197 1.00 0.00 H new ATOM 0 HA ASP A 33 18.229 3.630 29.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.237 3.329 32.113 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.828 2.425 32.632 1.00 0.00 H new ATOM 538 N LYS A 34 15.315 2.423 30.758 1.00 0.00 N ATOM 539 CA LYS A 34 14.196 1.550 30.332 1.00 0.00 C ATOM 540 C LYS A 34 13.807 1.898 28.871 1.00 0.00 C ATOM 541 O LYS A 34 13.857 1.056 27.993 1.00 0.00 O ATOM 542 CB LYS A 34 12.985 1.686 31.320 1.00 0.00 C ATOM 543 CG LYS A 34 12.073 0.430 31.447 1.00 0.00 C ATOM 544 CD LYS A 34 11.339 0.051 30.143 1.00 0.00 C ATOM 545 CE LYS A 34 10.483 -1.211 30.282 1.00 0.00 C ATOM 546 NZ LYS A 34 9.432 -1.071 31.314 1.00 0.00 N ATOM 0 H LYS A 34 15.090 3.031 31.546 1.00 0.00 H new ATOM 0 HA LYS A 34 14.506 0.506 30.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.372 1.933 32.309 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.371 2.527 30.999 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.680 -0.416 31.769 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.334 0.608 32.229 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.704 0.882 29.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.072 -0.100 29.351 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.018 -1.438 29.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.125 -2.056 30.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.687 -1.778 31.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.848 -1.220 32.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.021 -0.117 31.264 1.00 0.00 H new ATOM 560 N TYR A 35 13.452 3.170 28.671 1.00 0.00 N ATOM 561 CA TYR A 35 13.191 3.787 27.357 1.00 0.00 C ATOM 562 C TYR A 35 14.385 3.564 26.407 1.00 0.00 C ATOM 563 O TYR A 35 14.197 3.297 25.224 1.00 0.00 O ATOM 564 CB TYR A 35 12.906 5.306 27.558 1.00 0.00 C ATOM 565 CG TYR A 35 12.485 6.091 26.296 1.00 0.00 C ATOM 566 CD1 TYR A 35 13.432 6.578 25.382 1.00 0.00 C ATOM 567 CD2 TYR A 35 11.138 6.364 26.029 1.00 0.00 C ATOM 568 CE1 TYR A 35 13.052 7.291 24.263 1.00 0.00 C ATOM 569 CE2 TYR A 35 10.763 7.082 24.909 1.00 0.00 C ATOM 570 CZ TYR A 35 11.720 7.539 24.030 1.00 0.00 C ATOM 571 OH TYR A 35 11.346 8.249 22.909 1.00 0.00 O ATOM 0 H TYR A 35 13.333 3.826 29.443 1.00 0.00 H new ATOM 0 HA TYR A 35 12.319 3.320 26.899 1.00 0.00 H new ATOM 0 HB2 TYR A 35 12.120 5.412 28.306 1.00 0.00 H new ATOM 0 HB3 TYR A 35 13.802 5.772 27.969 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.481 6.391 25.558 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.379 6.008 26.710 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.799 7.653 23.572 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.719 7.285 24.723 1.00 0.00 H new ATOM 0 HH TYR A 35 10.370 8.338 22.889 1.00 0.00 H new ATOM 581 N ALA A 36 15.599 3.672 26.979 1.00 0.00 N ATOM 582 CA ALA A 36 16.850 3.488 26.220 1.00 0.00 C ATOM 583 C ALA A 36 16.929 2.066 25.631 1.00 0.00 C ATOM 584 O ALA A 36 17.211 1.904 24.437 1.00 0.00 O ATOM 585 CB ALA A 36 18.082 3.814 27.074 1.00 0.00 C ATOM 0 H ALA A 36 15.740 3.886 27.966 1.00 0.00 H new ATOM 0 HA ALA A 36 16.843 4.194 25.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.985 3.667 26.481 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.031 4.851 27.406 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.107 3.156 27.943 1.00 0.00 H new ATOM 591 N GLU A 37 16.736 1.016 26.459 1.00 0.00 N ATOM 592 CA GLU A 37 16.443 -0.365 26.055 1.00 0.00 C ATOM 593 C GLU A 37 15.377 -0.433 24.958 1.00 0.00 C ATOM 594 O GLU A 37 15.609 -1.045 23.958 1.00 0.00 O ATOM 595 CB GLU A 37 15.981 -1.204 27.281 1.00 0.00 C ATOM 596 CG GLU A 37 17.025 -1.377 28.406 1.00 0.00 C ATOM 597 CD GLU A 37 18.206 -2.277 28.008 1.00 0.00 C ATOM 598 OE1 GLU A 37 18.006 -3.499 27.861 1.00 0.00 O ATOM 599 OE2 GLU A 37 19.337 -1.780 27.859 1.00 0.00 O ATOM 0 H GLU A 37 16.784 1.119 27.473 1.00 0.00 H new ATOM 0 HA GLU A 37 17.367 -0.780 25.652 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.092 -0.736 27.704 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.684 -2.193 26.931 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.405 -0.397 28.693 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.536 -1.799 29.284 1.00 0.00 H new ATOM 606 N LEU A 38 14.225 0.208 25.171 1.00 0.00 N ATOM 607 CA LEU A 38 13.088 0.132 24.207 1.00 0.00 C ATOM 608 C LEU A 38 13.473 0.706 22.824 1.00 0.00 C ATOM 609 O LEU A 38 12.901 0.325 21.806 1.00 0.00 O ATOM 610 CB LEU A 38 11.855 0.855 24.776 1.00 0.00 C ATOM 611 CG LEU A 38 11.426 0.408 26.198 1.00 0.00 C ATOM 612 CD1 LEU A 38 10.235 1.236 26.715 1.00 0.00 C ATOM 613 CD2 LEU A 38 11.157 -1.111 26.255 1.00 0.00 C ATOM 0 H LEU A 38 14.041 0.785 25.992 1.00 0.00 H new ATOM 0 HA LEU A 38 12.841 -0.920 24.064 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.058 1.926 24.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.017 0.701 24.096 1.00 0.00 H new ATOM 0 HG LEU A 38 12.259 0.604 26.873 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.961 0.896 27.714 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.514 2.289 26.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.386 1.110 26.043 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.859 -1.390 27.266 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.359 -1.366 25.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.063 -1.652 25.982 1.00 0.00 H new ATOM 625 N GLU A 39 14.446 1.623 22.852 1.00 0.00 N ATOM 626 CA GLU A 39 15.108 2.157 21.649 1.00 0.00 C ATOM 627 C GLU A 39 15.955 1.053 20.962 1.00 0.00 C ATOM 628 O GLU A 39 15.860 0.884 19.754 1.00 0.00 O ATOM 629 CB GLU A 39 15.979 3.395 21.978 1.00 0.00 C ATOM 630 CG GLU A 39 15.197 4.620 22.488 1.00 0.00 C ATOM 631 CD GLU A 39 14.226 5.200 21.444 1.00 0.00 C ATOM 632 OE1 GLU A 39 14.688 5.928 20.548 1.00 0.00 O ATOM 633 OE2 GLU A 39 13.007 4.939 21.510 1.00 0.00 O ATOM 0 H GLU A 39 14.803 2.023 23.720 1.00 0.00 H new ATOM 0 HA GLU A 39 14.331 2.481 20.957 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.716 3.113 22.730 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.531 3.681 21.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.636 4.339 23.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.903 5.395 22.787 1.00 0.00 H new ATOM 640 N LYS A 40 16.820 0.358 21.739 1.00 0.00 N ATOM 641 CA LYS A 40 17.663 -0.773 21.228 1.00 0.00 C ATOM 642 C LYS A 40 16.848 -2.029 20.785 1.00 0.00 C ATOM 643 O LYS A 40 17.185 -2.670 19.786 1.00 0.00 O ATOM 644 CB LYS A 40 18.722 -1.171 22.290 1.00 0.00 C ATOM 645 CG LYS A 40 19.609 -0.011 22.780 1.00 0.00 C ATOM 646 CD LYS A 40 20.867 -0.464 23.569 1.00 0.00 C ATOM 647 CE LYS A 40 20.556 -1.226 24.872 1.00 0.00 C ATOM 648 NZ LYS A 40 20.262 -2.668 24.659 1.00 0.00 N ATOM 0 H LYS A 40 16.960 0.555 22.730 1.00 0.00 H new ATOM 0 HA LYS A 40 18.151 -0.400 20.327 1.00 0.00 H new ATOM 0 HB2 LYS A 40 18.210 -1.607 23.148 1.00 0.00 H new ATOM 0 HB3 LYS A 40 19.362 -1.948 21.872 1.00 0.00 H new ATOM 0 HG2 LYS A 40 19.926 0.578 21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 40 19.013 0.645 23.414 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.476 -1.100 22.926 1.00 0.00 H new ATOM 0 HD3 LYS A 40 21.467 0.414 23.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.404 -1.132 25.550 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.703 -0.758 25.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.310 -2.885 25.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.308 -2.885 23.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.962 -3.244 25.169 1.00 0.00 H new ATOM 662 N GLU A 41 15.836 -2.399 21.582 1.00 0.00 N ATOM 663 CA GLU A 41 14.860 -3.475 21.281 1.00 0.00 C ATOM 664 C GLU A 41 14.174 -3.182 19.946 1.00 0.00 C ATOM 665 O GLU A 41 14.084 -4.045 19.073 1.00 0.00 O ATOM 666 CB GLU A 41 13.801 -3.619 22.421 1.00 0.00 C ATOM 667 CG GLU A 41 14.377 -4.034 23.792 1.00 0.00 C ATOM 668 CD GLU A 41 15.054 -5.423 23.787 1.00 0.00 C ATOM 669 OE1 GLU A 41 14.359 -6.435 24.017 1.00 0.00 O ATOM 670 OE2 GLU A 41 16.282 -5.506 23.565 1.00 0.00 O ATOM 0 H GLU A 41 15.662 -1.950 22.481 1.00 0.00 H new ATOM 0 HA GLU A 41 15.397 -4.421 21.213 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.279 -2.669 22.535 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.058 -4.356 22.117 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.103 -3.287 24.112 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.574 -4.034 24.529 1.00 0.00 H new ATOM 677 N LYS A 42 13.678 -1.944 19.847 1.00 0.00 N ATOM 678 CA LYS A 42 13.168 -1.380 18.591 1.00 0.00 C ATOM 679 C LYS A 42 14.221 -1.504 17.472 1.00 0.00 C ATOM 680 O LYS A 42 13.911 -2.003 16.400 1.00 0.00 O ATOM 681 CB LYS A 42 12.798 0.096 18.800 1.00 0.00 C ATOM 682 CG LYS A 42 12.201 0.829 17.579 1.00 0.00 C ATOM 683 CD LYS A 42 12.094 2.346 17.827 1.00 0.00 C ATOM 684 CE LYS A 42 11.306 2.686 19.113 1.00 0.00 C ATOM 685 NZ LYS A 42 11.249 4.145 19.374 1.00 0.00 N ATOM 0 H LYS A 42 13.618 -1.302 20.638 1.00 0.00 H new ATOM 0 HA LYS A 42 12.281 -1.938 18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.082 0.157 19.620 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.693 0.632 19.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.823 0.646 16.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.213 0.425 17.358 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.096 2.770 17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.607 2.816 16.973 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.292 2.295 19.028 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.770 2.186 19.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.886 4.382 20.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.545 4.662 18.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.276 4.415 19.622 1.00 0.00 H new ATOM 699 N ALA A 43 15.462 -1.087 17.788 1.00 0.00 N ATOM 700 CA ALA A 43 16.563 -1.006 16.809 1.00 0.00 C ATOM 701 C ALA A 43 16.857 -2.360 16.160 1.00 0.00 C ATOM 702 O ALA A 43 16.896 -2.449 14.934 1.00 0.00 O ATOM 703 CB ALA A 43 17.830 -0.426 17.452 1.00 0.00 C ATOM 0 H ALA A 43 15.729 -0.797 18.729 1.00 0.00 H new ATOM 0 HA ALA A 43 16.237 -0.331 16.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.626 -0.377 16.709 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.622 0.576 17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.144 -1.064 18.278 1.00 0.00 H new ATOM 709 N THR A 44 17.103 -3.414 16.957 1.00 0.00 N ATOM 710 CA THR A 44 17.312 -4.804 16.548 1.00 0.00 C ATOM 711 C THR A 44 16.090 -5.395 15.840 1.00 0.00 C ATOM 712 O THR A 44 16.258 -6.153 14.895 1.00 0.00 O ATOM 713 CB THR A 44 17.684 -5.682 17.795 1.00 0.00 C ATOM 714 OG1 THR A 44 18.775 -5.089 18.520 1.00 0.00 O ATOM 715 CG2 THR A 44 18.081 -7.107 17.391 1.00 0.00 C ATOM 0 H THR A 44 17.164 -3.305 17.969 1.00 0.00 H new ATOM 0 HA THR A 44 18.135 -4.809 15.833 1.00 0.00 H new ATOM 0 HB THR A 44 16.796 -5.730 18.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.440 -4.349 19.068 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.331 -7.682 18.283 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.249 -7.584 16.874 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.946 -7.070 16.729 1.00 0.00 H new ATOM 723 N LEU A 45 14.881 -5.098 16.365 1.00 0.00 N ATOM 724 CA LEU A 45 13.630 -5.507 15.665 1.00 0.00 C ATOM 725 C LEU A 45 13.685 -5.077 14.190 1.00 0.00 C ATOM 726 O LEU A 45 13.495 -5.901 13.312 1.00 0.00 O ATOM 727 CB LEU A 45 12.332 -4.965 16.336 1.00 0.00 C ATOM 728 CG LEU A 45 11.764 -5.817 17.517 1.00 0.00 C ATOM 729 CD1 LEU A 45 10.485 -5.180 18.098 1.00 0.00 C ATOM 730 CD2 LEU A 45 11.506 -7.279 17.073 1.00 0.00 C ATOM 0 H LEU A 45 14.739 -4.594 17.240 1.00 0.00 H new ATOM 0 HA LEU A 45 13.579 -6.593 15.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.530 -3.958 16.703 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.560 -4.880 15.571 1.00 0.00 H new ATOM 0 HG LEU A 45 12.515 -5.834 18.307 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.113 -5.794 18.918 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.712 -4.180 18.468 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.725 -5.115 17.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.111 -7.850 17.913 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.784 -7.289 16.256 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.441 -7.727 16.737 1.00 0.00 H new ATOM 742 N GLU A 46 13.942 -3.781 13.959 1.00 0.00 N ATOM 743 CA GLU A 46 14.219 -3.235 12.622 1.00 0.00 C ATOM 744 C GLU A 46 15.324 -4.063 11.884 1.00 0.00 C ATOM 745 O GLU A 46 15.041 -4.671 10.863 1.00 0.00 O ATOM 746 CB GLU A 46 14.609 -1.738 12.737 1.00 0.00 C ATOM 747 CG GLU A 46 13.574 -0.838 13.477 1.00 0.00 C ATOM 748 CD GLU A 46 14.018 0.627 13.590 1.00 0.00 C ATOM 749 OE1 GLU A 46 14.752 0.963 14.542 1.00 0.00 O ATOM 750 OE2 GLU A 46 13.654 1.447 12.719 1.00 0.00 O ATOM 0 H GLU A 46 13.964 -3.079 14.698 1.00 0.00 H new ATOM 0 HA GLU A 46 13.314 -3.311 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.565 -1.667 13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.761 -1.340 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.621 -0.882 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.404 -1.238 14.477 1.00 0.00 H new ATOM 757 N ALA A 47 16.563 -4.048 12.423 1.00 0.00 N ATOM 758 CA ALA A 47 17.765 -4.792 11.922 1.00 0.00 C ATOM 759 C ALA A 47 17.435 -6.229 11.404 1.00 0.00 C ATOM 760 O ALA A 47 17.801 -6.603 10.280 1.00 0.00 O ATOM 761 CB ALA A 47 18.835 -4.839 13.028 1.00 0.00 C ATOM 0 H ALA A 47 16.773 -3.497 13.255 1.00 0.00 H new ATOM 0 HA ALA A 47 18.146 -4.248 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.709 -5.379 12.666 1.00 0.00 H new ATOM 0 HB2 ALA A 47 19.123 -3.823 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 47 18.431 -5.348 13.903 1.00 0.00 H new ATOM 767 N GLU A 48 16.741 -7.023 12.231 1.00 0.00 N ATOM 768 CA GLU A 48 16.153 -8.348 11.986 1.00 0.00 C ATOM 769 C GLU A 48 15.188 -8.343 10.790 1.00 0.00 C ATOM 770 O GLU A 48 15.460 -8.944 9.760 1.00 0.00 O ATOM 771 CB GLU A 48 15.396 -8.773 13.281 1.00 0.00 C ATOM 772 CG GLU A 48 14.759 -10.168 13.250 1.00 0.00 C ATOM 773 CD GLU A 48 15.806 -11.282 13.403 1.00 0.00 C ATOM 774 OE1 GLU A 48 16.338 -11.453 14.523 1.00 0.00 O ATOM 775 OE2 GLU A 48 16.105 -11.991 12.428 1.00 0.00 O ATOM 0 H GLU A 48 16.559 -6.722 13.188 1.00 0.00 H new ATOM 0 HA GLU A 48 16.948 -9.052 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.093 -8.730 14.118 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.614 -8.041 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.024 -10.249 14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.223 -10.301 12.310 1.00 0.00 H new ATOM 782 N ILE A 49 14.057 -7.638 10.992 1.00 0.00 N ATOM 783 CA ILE A 49 12.970 -7.580 9.978 1.00 0.00 C ATOM 784 C ILE A 49 13.448 -6.888 8.668 1.00 0.00 C ATOM 785 O ILE A 49 12.736 -6.900 7.677 1.00 0.00 O ATOM 786 CB ILE A 49 11.644 -6.904 10.519 1.00 0.00 C ATOM 787 CG1 ILE A 49 11.808 -5.352 10.658 1.00 0.00 C ATOM 788 CG2 ILE A 49 11.193 -7.556 11.858 1.00 0.00 C ATOM 789 CD1 ILE A 49 10.610 -4.619 11.235 1.00 0.00 C ATOM 0 H ILE A 49 13.867 -7.103 11.839 1.00 0.00 H new ATOM 0 HA ILE A 49 12.720 -8.617 9.752 1.00 0.00 H new ATOM 0 HB ILE A 49 10.857 -7.079 9.786 1.00 0.00 H new ATOM 0 HG12 ILE A 49 12.674 -5.150 11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.027 -4.937 9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.280 -7.074 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.005 -8.618 11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.978 -7.434 12.605 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.827 -3.552 11.289 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.742 -4.781 10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.399 -4.997 12.235 1.00 0.00 H new ATOM 801 N ALA A 50 14.676 -6.334 8.691 1.00 0.00 N ATOM 802 CA ALA A 50 15.344 -5.739 7.534 1.00 0.00 C ATOM 803 C ALA A 50 16.129 -6.822 6.770 1.00 0.00 C ATOM 804 O ALA A 50 16.096 -6.862 5.546 1.00 0.00 O ATOM 805 CB ALA A 50 16.258 -4.593 7.977 1.00 0.00 C ATOM 0 H ALA A 50 15.239 -6.291 9.540 1.00 0.00 H new ATOM 0 HA ALA A 50 14.595 -5.322 6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.748 -4.160 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.665 -3.827 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.012 -4.975 8.665 1.00 0.00 H new ATOM 811 N ARG A 51 16.881 -7.669 7.514 1.00 0.00 N ATOM 812 CA ARG A 51 17.485 -8.918 6.991 1.00 0.00 C ATOM 813 C ARG A 51 16.413 -9.818 6.345 1.00 0.00 C ATOM 814 O ARG A 51 16.573 -10.296 5.211 1.00 0.00 O ATOM 815 CB ARG A 51 18.204 -9.678 8.144 1.00 0.00 C ATOM 816 CG ARG A 51 18.898 -11.004 7.732 1.00 0.00 C ATOM 817 CD ARG A 51 20.063 -10.785 6.756 1.00 0.00 C ATOM 818 NE ARG A 51 20.734 -12.046 6.396 1.00 0.00 N ATOM 819 CZ ARG A 51 21.644 -12.191 5.420 1.00 0.00 C ATOM 820 NH1 ARG A 51 21.988 -11.166 4.646 1.00 0.00 N ATOM 821 NH2 ARG A 51 22.204 -13.375 5.224 1.00 0.00 N ATOM 0 H ARG A 51 17.086 -7.504 8.499 1.00 0.00 H new ATOM 0 HA ARG A 51 18.214 -8.657 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.951 -9.017 8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.474 -9.896 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.267 -11.509 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.164 -11.666 7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.691 -10.303 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.788 -10.106 7.205 1.00 0.00 H new ATOM 0 HE ARG A 51 20.487 -12.877 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.559 -10.252 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 51 22.681 -11.294 3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.943 -14.166 5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 51 22.897 -13.496 4.485 1.00 0.00 H new ATOM 835 N LEU A 52 15.311 -10.026 7.079 1.00 0.00 N ATOM 836 CA LEU A 52 14.126 -10.749 6.629 1.00 0.00 C ATOM 837 C LEU A 52 13.562 -10.101 5.369 1.00 0.00 C ATOM 838 O LEU A 52 13.246 -10.804 4.427 1.00 0.00 O ATOM 839 CB LEU A 52 13.034 -10.836 7.752 1.00 0.00 C ATOM 840 CG LEU A 52 13.154 -12.030 8.761 1.00 0.00 C ATOM 841 CD1 LEU A 52 13.016 -13.388 8.039 1.00 0.00 C ATOM 842 CD2 LEU A 52 14.465 -11.968 9.563 1.00 0.00 C ATOM 0 H LEU A 52 15.223 -9.681 8.035 1.00 0.00 H new ATOM 0 HA LEU A 52 14.426 -11.771 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.056 -9.906 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.057 -10.893 7.272 1.00 0.00 H new ATOM 0 HG LEU A 52 12.330 -11.937 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.104 -14.196 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.043 -13.443 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.804 -13.484 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.511 -12.812 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.312 -12.011 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.502 -11.037 10.128 1.00 0.00 H new ATOM 854 N ARG A 53 13.377 -8.766 5.381 1.00 0.00 N ATOM 855 CA ARG A 53 12.960 -7.997 4.191 1.00 0.00 C ATOM 856 C ARG A 53 14.067 -7.677 3.165 1.00 0.00 C ATOM 857 O ARG A 53 13.771 -6.966 2.219 1.00 0.00 O ATOM 858 CB ARG A 53 12.234 -6.704 4.609 1.00 0.00 C ATOM 859 CG ARG A 53 10.812 -6.900 5.202 1.00 0.00 C ATOM 860 CD ARG A 53 10.127 -5.551 5.493 1.00 0.00 C ATOM 861 NE ARG A 53 10.049 -4.695 4.282 1.00 0.00 N ATOM 862 CZ ARG A 53 10.861 -3.654 4.000 1.00 0.00 C ATOM 863 NH1 ARG A 53 11.838 -3.305 4.831 1.00 0.00 N ATOM 864 NH2 ARG A 53 10.715 -2.994 2.864 1.00 0.00 N ATOM 0 H ARG A 53 13.512 -8.192 6.213 1.00 0.00 H new ATOM 0 HA ARG A 53 12.284 -8.670 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.848 -6.185 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.160 -6.052 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.203 -7.475 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.878 -7.481 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.122 -5.730 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.677 -5.026 6.274 1.00 0.00 H new ATOM 0 HE ARG A 53 9.318 -4.913 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.982 -3.826 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.443 -2.516 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.990 -3.272 2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.327 -2.207 2.649 1.00 0.00 H new ATOM 878 N GLU A 54 15.316 -8.151 3.316 1.00 0.00 N ATOM 879 CA GLU A 54 16.264 -8.143 2.166 1.00 0.00 C ATOM 880 C GLU A 54 16.016 -9.439 1.375 1.00 0.00 C ATOM 881 O GLU A 54 16.014 -9.438 0.145 1.00 0.00 O ATOM 882 CB GLU A 54 17.764 -7.958 2.567 1.00 0.00 C ATOM 883 CG GLU A 54 18.508 -9.222 3.031 1.00 0.00 C ATOM 884 CD GLU A 54 20.007 -9.005 3.242 1.00 0.00 C ATOM 885 OE1 GLU A 54 20.414 -8.611 4.351 1.00 0.00 O ATOM 886 OE2 GLU A 54 20.788 -9.230 2.296 1.00 0.00 O ATOM 0 H GLU A 54 15.692 -8.533 4.184 1.00 0.00 H new ATOM 0 HA GLU A 54 16.069 -7.266 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.297 -7.542 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.816 -7.218 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.065 -9.573 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.364 -10.011 2.293 1.00 0.00 H new ATOM 893 N VAL A 55 15.821 -10.545 2.130 1.00 0.00 N ATOM 894 CA VAL A 55 15.206 -11.783 1.601 1.00 0.00 C ATOM 895 C VAL A 55 13.862 -11.448 0.921 1.00 0.00 C ATOM 896 O VAL A 55 13.617 -11.849 -0.207 1.00 0.00 O ATOM 897 CB VAL A 55 14.996 -12.872 2.724 1.00 0.00 C ATOM 898 CG1 VAL A 55 14.403 -14.185 2.150 1.00 0.00 C ATOM 899 CG2 VAL A 55 16.314 -13.149 3.480 1.00 0.00 C ATOM 0 H VAL A 55 16.083 -10.604 3.114 1.00 0.00 H new ATOM 0 HA VAL A 55 15.893 -12.207 0.868 1.00 0.00 H new ATOM 0 HB VAL A 55 14.273 -12.470 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.274 -14.908 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 55 13.437 -13.977 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 15.081 -14.593 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.141 -13.903 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.066 -13.511 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.666 -12.229 3.947 1.00 0.00 H new ATOM 909 N HIS A 56 12.985 -10.729 1.629 1.00 0.00 N ATOM 910 CA HIS A 56 11.704 -10.190 1.153 1.00 0.00 C ATOM 911 C HIS A 56 11.824 -8.826 0.417 1.00 0.00 C ATOM 912 O HIS A 56 10.847 -8.086 0.315 1.00 0.00 O ATOM 913 CB HIS A 56 10.657 -10.143 2.307 1.00 0.00 C ATOM 914 CG HIS A 56 10.133 -11.496 2.716 1.00 0.00 C ATOM 915 ND1 HIS A 56 8.948 -12.010 2.238 1.00 0.00 N ATOM 916 CD2 HIS A 56 10.634 -12.438 3.556 1.00 0.00 C ATOM 917 CE1 HIS A 56 8.740 -13.198 2.765 1.00 0.00 C ATOM 918 NE2 HIS A 56 9.748 -13.481 3.567 1.00 0.00 N ATOM 0 H HIS A 56 13.159 -10.493 2.606 1.00 0.00 H new ATOM 0 HA HIS A 56 11.347 -10.885 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.109 -9.663 3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.819 -9.519 1.998 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.327 -11.542 1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.558 -12.376 4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.888 -13.833 2.573 1.00 0.00 H new ATOM 927 N SER A 57 13.028 -8.497 -0.084 1.00 0.00 N ATOM 928 CA SER A 57 13.189 -7.573 -1.243 1.00 0.00 C ATOM 929 C SER A 57 13.261 -8.435 -2.500 1.00 0.00 C ATOM 930 O SER A 57 12.701 -8.101 -3.547 1.00 0.00 O ATOM 931 CB SER A 57 14.466 -6.705 -1.127 1.00 0.00 C ATOM 932 OG SER A 57 14.364 -5.761 -0.078 1.00 0.00 O ATOM 0 H SER A 57 13.909 -8.852 0.289 1.00 0.00 H new ATOM 0 HA SER A 57 12.345 -6.884 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.329 -7.348 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.639 -6.185 -2.069 1.00 0.00 H new ATOM 0 HG SER A 57 14.335 -6.230 0.782 1.00 0.00 H new ATOM 938 N GLN A 58 13.961 -9.573 -2.346 1.00 0.00 N ATOM 939 CA GLN A 58 14.029 -10.640 -3.351 1.00 0.00 C ATOM 940 C GLN A 58 12.643 -11.342 -3.452 1.00 0.00 C ATOM 941 O GLN A 58 12.301 -11.920 -4.482 1.00 0.00 O ATOM 942 CB GLN A 58 15.138 -11.661 -2.935 1.00 0.00 C ATOM 943 CG GLN A 58 16.500 -11.022 -2.536 1.00 0.00 C ATOM 944 CD GLN A 58 17.431 -11.962 -1.755 1.00 0.00 C ATOM 945 OE1 GLN A 58 17.414 -13.175 -1.938 1.00 0.00 O ATOM 946 NE2 GLN A 58 18.232 -11.408 -0.851 1.00 0.00 N ATOM 0 H GLN A 58 14.502 -9.777 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 58 14.280 -10.225 -4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.771 -12.252 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.305 -12.351 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.012 -10.690 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.309 -10.134 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.228 -10.397 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.851 -11.994 -0.291 1.00 0.00 H new ATOM 955 N LYS A 59 11.866 -11.271 -2.351 1.00 0.00 N ATOM 956 CA LYS A 59 10.535 -11.898 -2.210 1.00 0.00 C ATOM 957 C LYS A 59 9.566 -10.883 -1.553 1.00 0.00 C ATOM 958 O LYS A 59 9.221 -11.049 -0.392 1.00 0.00 O ATOM 959 CB LYS A 59 10.657 -13.224 -1.344 1.00 0.00 C ATOM 960 CG LYS A 59 10.498 -14.560 -2.121 1.00 0.00 C ATOM 961 CD LYS A 59 11.669 -14.857 -3.083 1.00 0.00 C ATOM 962 CE LYS A 59 13.020 -14.968 -2.348 1.00 0.00 C ATOM 963 NZ LYS A 59 14.147 -15.220 -3.274 1.00 0.00 N ATOM 0 H LYS A 59 12.154 -10.763 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 59 10.141 -12.172 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.630 -13.226 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.903 -13.192 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.409 -15.378 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.569 -14.532 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.471 -15.787 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.730 -14.067 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.206 -14.047 -1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.967 -15.774 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.033 -15.287 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.985 -16.112 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.217 -14.439 -3.957 1.00 0.00 H new ATOM 977 N LEU A 60 9.148 -9.831 -2.299 1.00 0.00 N ATOM 978 CA LEU A 60 8.388 -8.649 -1.742 1.00 0.00 C ATOM 979 C LEU A 60 6.981 -9.030 -1.131 1.00 0.00 C ATOM 980 O LEU A 60 6.819 -10.077 -0.502 1.00 0.00 O ATOM 981 CB LEU A 60 8.262 -7.537 -2.859 1.00 0.00 C ATOM 982 CG LEU A 60 8.597 -6.041 -2.456 1.00 0.00 C ATOM 983 CD1 LEU A 60 8.242 -5.055 -3.601 1.00 0.00 C ATOM 984 CD2 LEU A 60 7.915 -5.609 -1.132 1.00 0.00 C ATOM 0 H LEU A 60 9.320 -9.763 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 60 8.959 -8.258 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.917 -7.816 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.241 -7.560 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 60 9.673 -6.004 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.484 -4.038 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.816 -5.310 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.177 -5.124 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.180 -4.576 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.833 -5.691 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.252 -6.255 -0.322 1.00 0.00 H new ATOM 996 N SER A 61 5.973 -8.142 -1.274 1.00 0.00 N ATOM 997 CA SER A 61 4.639 -8.309 -0.671 1.00 0.00 C ATOM 998 C SER A 61 3.591 -8.600 -1.762 1.00 0.00 C ATOM 999 O SER A 61 3.868 -8.367 -2.932 1.00 0.00 O ATOM 1000 CB SER A 61 4.296 -7.038 0.140 1.00 0.00 C ATOM 1001 OG SER A 61 4.360 -5.865 -0.657 1.00 0.00 O ATOM 0 H SER A 61 6.066 -7.283 -1.816 1.00 0.00 H new ATOM 0 HA SER A 61 4.635 -9.162 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.295 -7.136 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.987 -6.945 0.978 1.00 0.00 H new ATOM 0 HG SER A 61 4.135 -5.084 -0.109 1.00 0.00 H new ATOM 1007 N LYS A 62 2.353 -8.956 -1.326 1.00 0.00 N ATOM 1008 CA LYS A 62 1.311 -9.708 -2.101 1.00 0.00 C ATOM 1009 C LYS A 62 1.492 -9.730 -3.653 1.00 0.00 C ATOM 1010 O LYS A 62 2.166 -10.637 -4.181 1.00 0.00 O ATOM 1011 CB LYS A 62 -0.100 -9.182 -1.701 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.290 -9.983 -2.279 1.00 0.00 C ATOM 1013 CD LYS A 62 -2.653 -9.419 -1.819 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.845 -10.236 -2.343 1.00 0.00 C ATOM 1015 NZ LYS A 62 -3.938 -10.223 -3.828 1.00 0.00 N ATOM 0 H LYS A 62 2.034 -8.720 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 62 1.432 -10.755 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.176 -9.183 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.189 -8.145 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.241 -9.967 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.208 -11.025 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.683 -9.399 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.748 -8.388 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.755 -11.266 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.768 -9.837 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.919 -10.414 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.647 -9.291 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.313 -10.955 -4.221 1.00 0.00 H new ATOM 1029 N GLU A 63 0.936 -8.746 -4.392 1.00 0.00 N ATOM 1030 CA GLU A 63 0.851 -8.760 -5.865 1.00 0.00 C ATOM 1031 C GLU A 63 2.216 -8.576 -6.526 1.00 0.00 C ATOM 1032 O GLU A 63 2.456 -9.080 -7.615 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.110 -7.631 -6.345 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.273 -8.118 -7.205 1.00 0.00 C ATOM 1035 CD GLU A 63 -2.337 -8.877 -6.382 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.160 -8.213 -5.704 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -2.339 -10.131 -6.372 1.00 0.00 O ATOM 0 H GLU A 63 0.529 -7.909 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 63 0.469 -9.737 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.510 -7.115 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.464 -6.898 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.739 -7.265 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.892 -8.770 -7.991 1.00 0.00 H new ATOM 1044 N ALA A 64 3.057 -7.780 -5.883 1.00 0.00 N ATOM 1045 CA ALA A 64 4.439 -7.557 -6.314 1.00 0.00 C ATOM 1046 C ALA A 64 5.220 -8.886 -6.278 1.00 0.00 C ATOM 1047 O ALA A 64 5.980 -9.210 -7.201 1.00 0.00 O ATOM 1048 CB ALA A 64 5.077 -6.502 -5.408 1.00 0.00 C ATOM 0 H ALA A 64 2.803 -7.264 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 64 4.462 -7.191 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.107 -6.329 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.514 -5.571 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.065 -6.853 -4.376 1.00 0.00 H new ATOM 1054 N GLN A 65 5.000 -9.628 -5.175 1.00 0.00 N ATOM 1055 CA GLN A 65 5.578 -10.963 -4.985 1.00 0.00 C ATOM 1056 C GLN A 65 5.035 -11.920 -6.069 1.00 0.00 C ATOM 1057 O GLN A 65 5.744 -12.850 -6.484 1.00 0.00 O ATOM 1058 CB GLN A 65 5.296 -11.546 -3.550 1.00 0.00 C ATOM 1059 CG GLN A 65 6.511 -12.236 -2.871 1.00 0.00 C ATOM 1060 CD GLN A 65 7.297 -13.198 -3.770 1.00 0.00 C ATOM 1061 OE1 GLN A 65 8.285 -12.675 -4.489 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 7.024 -14.393 -3.825 1.00 0.00 N flip ATOM 0 H GLN A 65 4.419 -9.316 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 65 6.660 -10.869 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.951 -10.736 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.481 -12.266 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.191 -11.465 -2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.157 -12.786 -1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.260 -14.768 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.561 -15.011 -4.433 1.00 0.00 H new ATOM 1071 N LYS A 66 3.829 -11.646 -6.630 1.00 0.00 N ATOM 1072 CA LYS A 66 3.195 -12.407 -7.702 1.00 0.00 C ATOM 1073 C LYS A 66 3.812 -12.061 -9.050 1.00 0.00 C ATOM 1074 O LYS A 66 4.030 -12.960 -9.869 1.00 0.00 O ATOM 1075 CB LYS A 66 1.656 -12.177 -7.700 1.00 0.00 C ATOM 1076 CG LYS A 66 0.915 -12.826 -8.891 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.621 -12.694 -8.820 1.00 0.00 C ATOM 1078 CE LYS A 66 -1.308 -13.346 -10.036 1.00 0.00 C ATOM 1079 NZ LYS A 66 -2.776 -13.190 -10.004 1.00 0.00 N ATOM 0 H LYS A 66 3.261 -10.855 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 66 3.372 -13.468 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.243 -12.571 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.461 -11.105 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.266 -12.370 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.177 -13.883 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.984 -13.160 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.893 -11.640 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.918 -12.902 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.059 -14.407 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.192 -13.645 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.154 -13.637 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.018 -12.178 -10.003 1.00 0.00 H new ATOM 1093 N LEU A 67 4.097 -10.767 -9.301 1.00 0.00 N ATOM 1094 CA LEU A 67 4.838 -10.329 -10.487 1.00 0.00 C ATOM 1095 C LEU A 67 6.207 -11.028 -10.584 1.00 0.00 C ATOM 1096 O LEU A 67 6.559 -11.575 -11.624 1.00 0.00 O ATOM 1097 CB LEU A 67 4.979 -8.768 -10.457 1.00 0.00 C ATOM 1098 CG LEU A 67 3.632 -7.960 -10.519 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.862 -6.447 -10.301 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.879 -8.206 -11.850 1.00 0.00 C ATOM 0 H LEU A 67 3.818 -10.003 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 67 4.285 -10.613 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.508 -8.487 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.604 -8.462 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 67 3.008 -8.327 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.908 -5.923 -10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.314 -6.285 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.527 -6.065 -11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.953 -7.631 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.505 -7.894 -12.686 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.648 -9.267 -11.947 1.00 0.00 H new ATOM 1112 N MET A 68 7.010 -10.927 -9.528 1.00 0.00 N ATOM 1113 CA MET A 68 8.246 -11.716 -9.317 1.00 0.00 C ATOM 1114 C MET A 68 8.086 -13.239 -9.605 1.00 0.00 C ATOM 1115 O MET A 68 9.004 -13.848 -10.166 1.00 0.00 O ATOM 1116 CB MET A 68 8.771 -11.464 -7.877 1.00 0.00 C ATOM 1117 CG MET A 68 9.062 -9.978 -7.605 1.00 0.00 C ATOM 1118 SD MET A 68 9.689 -9.625 -5.945 1.00 0.00 S ATOM 1119 CE MET A 68 9.994 -7.852 -6.071 1.00 0.00 C ATOM 0 H MET A 68 6.823 -10.277 -8.765 1.00 0.00 H new ATOM 0 HA MET A 68 8.977 -11.371 -10.049 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.035 -11.824 -7.158 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.681 -12.043 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.788 -9.624 -8.336 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.147 -9.407 -7.762 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.720 -7.553 -5.315 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.385 -7.620 -7.061 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.061 -7.310 -5.913 1.00 0.00 H new ATOM 1129 N LYS A 69 6.945 -13.861 -9.219 1.00 0.00 N ATOM 1130 CA LYS A 69 6.677 -15.303 -9.568 1.00 0.00 C ATOM 1131 C LYS A 69 5.733 -15.467 -10.812 1.00 0.00 C ATOM 1132 O LYS A 69 5.067 -16.506 -10.972 1.00 0.00 O ATOM 1133 CB LYS A 69 6.133 -16.077 -8.327 1.00 0.00 C ATOM 1134 CG LYS A 69 4.751 -15.618 -7.835 1.00 0.00 C ATOM 1135 CD LYS A 69 4.294 -16.307 -6.527 1.00 0.00 C ATOM 1136 CE LYS A 69 2.936 -15.766 -6.030 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.502 -16.404 -4.763 1.00 0.00 N ATOM 0 H LYS A 69 6.205 -13.412 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 69 7.631 -15.743 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.082 -17.138 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.847 -15.973 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.771 -14.539 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.015 -15.814 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.217 -17.382 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.049 -16.156 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.009 -14.688 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.179 -15.934 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.586 -16.008 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.406 -17.430 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.210 -16.223 -4.023 1.00 0.00 H new ATOM 1151 N MET A 70 5.705 -14.444 -11.707 1.00 0.00 N ATOM 1152 CA MET A 70 4.999 -14.505 -13.033 1.00 0.00 C ATOM 1153 C MET A 70 5.682 -15.514 -13.995 1.00 0.00 C ATOM 1154 O MET A 70 6.799 -15.957 -13.722 1.00 0.00 O ATOM 1155 CB MET A 70 4.934 -13.084 -13.706 1.00 0.00 C ATOM 1156 CG MET A 70 3.655 -12.279 -13.426 1.00 0.00 C ATOM 1157 SD MET A 70 2.170 -13.117 -14.049 1.00 0.00 S ATOM 1158 CE MET A 70 1.011 -11.765 -14.276 1.00 0.00 C ATOM 0 H MET A 70 6.168 -13.551 -11.538 1.00 0.00 H new ATOM 0 HA MET A 70 3.983 -14.849 -12.839 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.791 -12.501 -13.368 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.037 -13.206 -14.784 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.556 -12.118 -12.352 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.737 -11.296 -13.890 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.066 -12.155 -14.654 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.842 -11.267 -13.321 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.420 -11.051 -14.991 1.00 0.00 H new ATOM 1168 N PRO A 71 5.018 -15.911 -15.138 1.00 0.00 N ATOM 1169 CA PRO A 71 5.663 -16.732 -16.168 1.00 0.00 C ATOM 1170 C PRO A 71 6.544 -15.888 -17.121 1.00 0.00 C ATOM 1171 O PRO A 71 7.774 -15.994 -17.086 1.00 0.00 O ATOM 1172 CB PRO A 71 4.470 -17.417 -16.914 1.00 0.00 C ATOM 1173 CG PRO A 71 3.211 -16.894 -16.270 1.00 0.00 C ATOM 1174 CD PRO A 71 3.598 -15.656 -15.502 1.00 0.00 C ATOM 0 HA PRO A 71 6.354 -17.460 -15.743 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.490 -17.180 -17.978 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.529 -18.502 -16.828 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.459 -16.662 -17.024 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.777 -17.641 -15.606 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.493 -14.757 -16.109 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.974 -15.519 -14.619 1.00 0.00 H new ATOM 1182 N PHE A 72 5.903 -15.029 -17.954 1.00 0.00 N ATOM 1183 CA PHE A 72 6.598 -14.307 -19.052 1.00 0.00 C ATOM 1184 C PHE A 72 6.697 -12.820 -18.621 1.00 0.00 C ATOM 1185 O PHE A 72 5.798 -12.320 -17.942 1.00 0.00 O ATOM 1186 CB PHE A 72 5.829 -14.418 -20.393 1.00 0.00 C ATOM 1187 CG PHE A 72 5.740 -15.837 -20.961 1.00 0.00 C ATOM 1188 CD1 PHE A 72 4.763 -16.721 -20.512 1.00 0.00 C ATOM 1189 CD2 PHE A 72 6.627 -16.282 -21.944 1.00 0.00 C ATOM 1190 CE1 PHE A 72 4.674 -18.003 -21.014 1.00 0.00 C ATOM 1191 CE2 PHE A 72 6.539 -17.570 -22.446 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.559 -18.428 -21.983 1.00 0.00 C ATOM 0 H PHE A 72 4.907 -14.819 -17.887 1.00 0.00 H new ATOM 0 HA PHE A 72 7.582 -14.746 -19.217 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.819 -14.034 -20.250 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.313 -13.776 -21.129 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.062 -16.397 -19.757 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.390 -15.614 -22.317 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.911 -18.674 -20.648 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.237 -17.904 -23.200 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.486 -19.430 -22.379 1.00 0.00 H new ATOM 1202 N GLN A 73 7.802 -12.131 -18.976 1.00 0.00 N ATOM 1203 CA GLN A 73 7.974 -10.681 -18.643 1.00 0.00 C ATOM 1204 C GLN A 73 9.150 -10.023 -19.389 1.00 0.00 C ATOM 1205 O GLN A 73 9.938 -10.707 -20.052 1.00 0.00 O ATOM 1206 CB GLN A 73 8.110 -10.434 -17.097 1.00 0.00 C ATOM 1207 CG GLN A 73 9.303 -11.103 -16.371 1.00 0.00 C ATOM 1208 CD GLN A 73 9.141 -12.615 -16.160 1.00 0.00 C ATOM 1209 OE1 GLN A 73 9.581 -13.426 -16.973 1.00 0.00 O ATOM 1210 NE2 GLN A 73 8.484 -12.999 -15.073 1.00 0.00 N ATOM 0 H GLN A 73 8.585 -12.539 -19.487 1.00 0.00 H new ATOM 0 HA GLN A 73 7.058 -10.203 -18.988 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.176 -9.359 -16.932 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.191 -10.774 -16.619 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.211 -10.923 -16.946 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.439 -10.624 -15.401 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.131 -12.302 -14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.332 -13.991 -14.893 1.00 0.00 H new ATOM 1219 N ARG A 74 9.256 -8.682 -19.200 1.00 0.00 N ATOM 1220 CA ARG A 74 10.329 -7.833 -19.762 1.00 0.00 C ATOM 1221 C ARG A 74 10.125 -6.365 -19.309 1.00 0.00 C ATOM 1222 O ARG A 74 9.231 -6.071 -18.524 1.00 0.00 O ATOM 1223 CB ARG A 74 10.377 -7.911 -21.331 1.00 0.00 C ATOM 1224 CG ARG A 74 9.109 -7.397 -22.064 1.00 0.00 C ATOM 1225 CD ARG A 74 9.208 -7.537 -23.599 1.00 0.00 C ATOM 1226 NE ARG A 74 7.982 -7.075 -24.296 1.00 0.00 N ATOM 1227 CZ ARG A 74 7.864 -6.887 -25.626 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.923 -6.952 -26.423 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.678 -6.608 -26.150 1.00 0.00 N ATOM 0 H ARG A 74 8.584 -8.155 -18.642 1.00 0.00 H new ATOM 0 HA ARG A 74 11.282 -8.206 -19.386 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.235 -7.337 -21.680 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.548 -8.948 -21.621 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.240 -7.950 -21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.947 -6.350 -21.809 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.063 -6.964 -23.958 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.394 -8.580 -23.853 1.00 0.00 H new ATOM 0 HE ARG A 74 7.161 -6.884 -23.722 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.845 -7.147 -26.032 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.815 -6.807 -27.427 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.858 -6.536 -25.547 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.586 -6.465 -27.156 1.00 0.00 H new ATOM 1243 N ALA A 75 10.989 -5.471 -19.805 1.00 0.00 N ATOM 1244 CA ALA A 75 10.833 -3.994 -19.684 1.00 0.00 C ATOM 1245 C ALA A 75 10.511 -3.478 -21.083 1.00 0.00 C ATOM 1246 O ALA A 75 11.101 -3.990 -22.052 1.00 0.00 O ATOM 1247 CB ALA A 75 12.108 -3.349 -19.120 1.00 0.00 C ATOM 0 H ALA A 75 11.832 -5.744 -20.311 1.00 0.00 H new ATOM 0 HA ALA A 75 10.035 -3.737 -18.988 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.967 -2.271 -19.042 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.317 -3.760 -18.132 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.946 -3.558 -19.785 1.00 0.00 H new ATOM 1253 N ILE A 76 9.602 -2.484 -21.267 1.00 0.00 N ATOM 1254 CA ILE A 76 8.961 -2.277 -22.577 1.00 0.00 C ATOM 1255 C ILE A 76 9.777 -1.246 -23.390 1.00 0.00 C ATOM 1256 O ILE A 76 9.926 -0.100 -22.967 1.00 0.00 O ATOM 1257 CB ILE A 76 7.475 -1.777 -22.400 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.636 -2.777 -21.533 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.799 -1.533 -23.768 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.533 -4.201 -22.098 1.00 0.00 C ATOM 0 H ILE A 76 9.307 -1.832 -20.540 1.00 0.00 H new ATOM 0 HA ILE A 76 8.937 -3.226 -23.112 1.00 0.00 H new ATOM 0 HB ILE A 76 7.512 -0.825 -21.870 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.077 -2.829 -20.537 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.629 -2.376 -21.415 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.776 -1.189 -23.612 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.356 -0.776 -24.319 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.787 -2.462 -24.339 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.933 -4.816 -21.427 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.061 -4.170 -23.080 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.531 -4.630 -22.188 1.00 0.00 H new ATOM 1272 N THR A 77 10.311 -1.685 -24.542 1.00 0.00 N ATOM 1273 CA THR A 77 11.144 -0.862 -25.440 1.00 0.00 C ATOM 1274 C THR A 77 10.292 0.195 -26.168 1.00 0.00 C ATOM 1275 O THR A 77 9.061 0.130 -26.134 1.00 0.00 O ATOM 1276 CB THR A 77 11.878 -1.773 -26.481 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.909 -2.532 -27.229 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.874 -2.734 -25.807 1.00 0.00 C ATOM 0 H THR A 77 10.175 -2.637 -24.882 1.00 0.00 H new ATOM 0 HA THR A 77 11.887 -0.343 -24.834 1.00 0.00 H new ATOM 0 HB THR A 77 12.443 -1.122 -27.148 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.371 -3.100 -27.881 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.360 -3.346 -26.567 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.627 -2.159 -25.269 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.341 -3.378 -25.108 1.00 0.00 H new ATOM 1286 N LYS A 78 10.949 1.068 -26.958 1.00 0.00 N ATOM 1287 CA LYS A 78 10.327 2.315 -27.464 1.00 0.00 C ATOM 1288 C LYS A 78 9.524 2.027 -28.751 1.00 0.00 C ATOM 1289 O LYS A 78 8.776 2.878 -29.241 1.00 0.00 O ATOM 1290 CB LYS A 78 11.416 3.388 -27.729 1.00 0.00 C ATOM 1291 CG LYS A 78 12.193 3.832 -26.468 1.00 0.00 C ATOM 1292 CD LYS A 78 13.315 4.879 -26.740 1.00 0.00 C ATOM 1293 CE LYS A 78 14.521 4.316 -27.527 1.00 0.00 C ATOM 1294 NZ LYS A 78 14.236 4.107 -28.976 1.00 0.00 N ATOM 0 H LYS A 78 11.913 0.934 -27.262 1.00 0.00 H new ATOM 0 HA LYS A 78 9.641 2.698 -26.708 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.125 2.997 -28.459 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.946 4.263 -28.178 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.488 4.251 -25.750 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.638 2.953 -26.002 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.891 5.716 -27.295 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.668 5.274 -25.787 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.364 5.000 -27.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.824 3.368 -27.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.021 4.486 -29.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.132 3.090 -29.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.356 4.599 -29.231 1.00 0.00 H new ATOM 1308 N LYS A 79 9.664 0.784 -29.238 1.00 0.00 N ATOM 1309 CA LYS A 79 9.011 0.288 -30.445 1.00 0.00 C ATOM 1310 C LYS A 79 7.593 -0.138 -30.084 1.00 0.00 C ATOM 1311 O LYS A 79 6.631 0.226 -30.768 1.00 0.00 O ATOM 1312 CB LYS A 79 9.813 -0.884 -31.067 1.00 0.00 C ATOM 1313 CG LYS A 79 11.200 -0.463 -31.592 1.00 0.00 C ATOM 1314 CD LYS A 79 11.991 -1.633 -32.205 1.00 0.00 C ATOM 1315 CE LYS A 79 13.363 -1.183 -32.751 1.00 0.00 C ATOM 1316 NZ LYS A 79 14.131 -2.306 -33.355 1.00 0.00 N ATOM 0 H LYS A 79 10.251 0.083 -28.786 1.00 0.00 H new ATOM 0 HA LYS A 79 8.972 1.077 -31.196 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.938 -1.667 -30.319 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.237 -1.315 -31.886 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.077 0.318 -32.342 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.776 -0.031 -30.774 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.137 -2.406 -31.451 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.409 -2.080 -33.011 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.215 -0.404 -33.499 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.946 -0.742 -31.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.044 -1.953 -33.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.297 -3.039 -32.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.589 -2.712 -34.145 1.00 0.00 H new ATOM 1330 N GLU A 80 7.459 -0.899 -28.983 1.00 0.00 N ATOM 1331 CA GLU A 80 6.164 -1.354 -28.479 1.00 0.00 C ATOM 1332 C GLU A 80 5.447 -0.154 -27.812 1.00 0.00 C ATOM 1333 O GLU A 80 4.230 -0.052 -27.807 1.00 0.00 O ATOM 1334 CB GLU A 80 6.410 -2.477 -27.446 1.00 0.00 C ATOM 1335 CG GLU A 80 7.204 -3.682 -27.979 1.00 0.00 C ATOM 1336 CD GLU A 80 6.467 -4.440 -29.092 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.671 -5.349 -28.780 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.673 -4.129 -30.284 1.00 0.00 O ATOM 0 H GLU A 80 8.251 -1.213 -28.422 1.00 0.00 H new ATOM 0 HA GLU A 80 5.541 -1.739 -29.287 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.944 -2.057 -26.594 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.447 -2.829 -27.077 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.166 -3.338 -28.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.411 -4.366 -27.156 1.00 0.00 H new ATOM 1345 N GLN A 81 6.291 0.696 -27.198 1.00 0.00 N ATOM 1346 CA GLN A 81 5.859 2.040 -26.749 1.00 0.00 C ATOM 1347 C GLN A 81 5.362 2.951 -27.879 1.00 0.00 C ATOM 1348 O GLN A 81 4.449 3.754 -27.634 1.00 0.00 O ATOM 1349 CB GLN A 81 6.953 2.741 -25.913 1.00 0.00 C ATOM 1350 CG GLN A 81 7.242 2.036 -24.576 1.00 0.00 C ATOM 1351 CD GLN A 81 8.401 2.627 -23.785 1.00 0.00 C ATOM 1352 OE1 GLN A 81 9.334 3.208 -24.339 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.365 2.452 -22.483 1.00 0.00 N ATOM 0 H GLN A 81 7.269 0.482 -27.001 1.00 0.00 H new ATOM 0 HA GLN A 81 4.994 1.860 -26.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.872 2.789 -26.497 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.647 3.768 -25.716 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.343 2.072 -23.960 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.452 0.985 -24.773 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.577 1.966 -22.055 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.125 2.802 -21.900 1.00 0.00 H new ATOM 1362 N ALA A 82 5.954 2.863 -29.098 1.00 0.00 N ATOM 1363 CA ALA A 82 5.537 3.724 -30.237 1.00 0.00 C ATOM 1364 C ALA A 82 4.043 3.526 -30.554 1.00 0.00 C ATOM 1365 O ALA A 82 3.326 4.493 -30.845 1.00 0.00 O ATOM 1366 CB ALA A 82 6.397 3.421 -31.476 1.00 0.00 C ATOM 0 H ALA A 82 6.711 2.215 -29.317 1.00 0.00 H new ATOM 0 HA ALA A 82 5.688 4.766 -29.954 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.082 4.058 -32.302 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.445 3.615 -31.248 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.275 2.375 -31.757 1.00 0.00 H new ATOM 1372 N ASP A 83 3.583 2.260 -30.485 1.00 0.00 N ATOM 1373 CA ASP A 83 2.146 1.934 -30.497 1.00 0.00 C ATOM 1374 C ASP A 83 1.856 0.822 -29.478 1.00 0.00 C ATOM 1375 O ASP A 83 2.146 -0.367 -29.721 1.00 0.00 O ATOM 1376 CB ASP A 83 1.620 1.537 -31.906 1.00 0.00 C ATOM 1377 CG ASP A 83 0.090 1.307 -31.938 1.00 0.00 C ATOM 1378 OD1 ASP A 83 -0.651 1.980 -31.182 1.00 0.00 O ATOM 1379 OD2 ASP A 83 -0.384 0.451 -32.703 1.00 0.00 O ATOM 0 H ASP A 83 4.192 1.444 -30.420 1.00 0.00 H new ATOM 0 HA ASP A 83 1.610 2.841 -30.217 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.879 2.320 -32.618 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.125 0.628 -32.234 1.00 0.00 H new ATOM 1384 N MET A 84 1.268 1.241 -28.338 1.00 0.00 N ATOM 1385 CA MET A 84 0.864 0.353 -27.234 1.00 0.00 C ATOM 1386 C MET A 84 -0.291 -0.557 -27.662 1.00 0.00 C ATOM 1387 O MET A 84 -0.481 -1.625 -27.090 1.00 0.00 O ATOM 1388 CB MET A 84 0.457 1.193 -25.975 1.00 0.00 C ATOM 1389 CG MET A 84 1.288 0.886 -24.733 1.00 0.00 C ATOM 1390 SD MET A 84 3.031 1.234 -25.024 1.00 0.00 S ATOM 1391 CE MET A 84 3.752 0.704 -23.488 1.00 0.00 C ATOM 0 H MET A 84 1.058 2.223 -28.158 1.00 0.00 H new ATOM 0 HA MET A 84 1.716 -0.275 -26.974 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.552 2.253 -26.211 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.594 1.009 -25.752 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.929 1.482 -23.894 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.163 -0.161 -24.457 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.837 0.674 -23.587 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.479 1.403 -22.697 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.383 -0.290 -23.237 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.087 -0.074 -28.635 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.203 -0.851 -29.176 1.00 0.00 C ATOM 1403 C GLY A 85 -1.711 -2.151 -29.813 1.00 0.00 C ATOM 1404 O GLY A 85 -2.135 -3.247 -29.417 1.00 0.00 O ATOM 0 H GLY A 85 -0.973 0.848 -29.057 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.912 -1.078 -28.380 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.737 -0.258 -29.918 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.827 -2.001 -30.817 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.072 -3.108 -31.449 1.00 0.00 C ATOM 1410 C LYS A 86 0.638 -3.990 -30.399 1.00 0.00 C ATOM 1411 O LYS A 86 0.591 -5.219 -30.490 1.00 0.00 O ATOM 1412 CB LYS A 86 0.937 -2.501 -32.470 1.00 0.00 C ATOM 1413 CG LYS A 86 1.979 -3.466 -33.118 1.00 0.00 C ATOM 1414 CD LYS A 86 3.347 -3.495 -32.384 1.00 0.00 C ATOM 1415 CE LYS A 86 4.025 -2.110 -32.344 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.383 -2.174 -31.766 1.00 0.00 N ATOM 0 H LYS A 86 -0.611 -1.090 -31.222 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.766 -3.765 -31.973 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.364 -2.037 -33.273 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.485 -1.704 -31.967 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.565 -4.474 -33.135 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.140 -3.169 -34.155 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.202 -3.854 -31.365 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.008 -4.205 -32.881 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.080 -1.704 -33.354 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.414 -1.424 -31.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.615 -1.262 -31.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.420 -2.926 -31.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.071 -2.379 -32.518 1.00 0.00 H new ATOM 1430 N LEU A 87 1.342 -3.315 -29.469 1.00 0.00 N ATOM 1431 CA LEU A 87 2.023 -4.032 -28.354 1.00 0.00 C ATOM 1432 C LEU A 87 1.029 -5.030 -27.670 1.00 0.00 C ATOM 1433 O LEU A 87 1.156 -6.245 -27.848 1.00 0.00 O ATOM 1434 CB LEU A 87 2.606 -3.036 -27.309 1.00 0.00 C ATOM 1435 CG LEU A 87 2.942 -3.618 -25.885 1.00 0.00 C ATOM 1436 CD1 LEU A 87 3.980 -4.766 -25.916 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.388 -2.503 -24.934 1.00 0.00 C ATOM 0 H LEU A 87 1.457 -2.302 -29.459 1.00 0.00 H new ATOM 0 HA LEU A 87 2.858 -4.594 -28.773 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.517 -2.604 -27.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.894 -2.220 -27.183 1.00 0.00 H new ATOM 0 HG LEU A 87 2.018 -4.058 -25.510 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.163 -5.118 -24.901 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.596 -5.587 -26.521 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.912 -4.402 -26.348 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.615 -2.928 -23.956 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.278 -2.018 -25.334 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.589 -1.769 -24.834 1.00 0.00 H new ATOM 1449 N LYS A 88 0.034 -4.480 -26.945 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.901 -5.225 -26.078 1.00 0.00 C ATOM 1451 C LYS A 88 -1.709 -6.322 -26.795 1.00 0.00 C ATOM 1452 O LYS A 88 -1.934 -7.379 -26.202 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.856 -4.213 -25.380 1.00 0.00 C ATOM 1454 CG LYS A 88 -1.150 -3.368 -24.300 1.00 0.00 C ATOM 1455 CD LYS A 88 -2.067 -2.395 -23.542 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.358 -1.773 -22.314 1.00 0.00 C ATOM 1457 NZ LYS A 88 -2.221 -0.790 -21.604 1.00 0.00 N ATOM 0 H LYS A 88 -0.146 -3.476 -26.947 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.291 -5.758 -25.349 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.285 -3.549 -26.131 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.684 -4.757 -24.925 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.683 -4.040 -23.580 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.349 -2.798 -24.771 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.390 -1.601 -24.215 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.964 -2.921 -23.216 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.069 -2.565 -21.624 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.440 -1.281 -22.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.705 -0.400 -20.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.476 -0.019 -22.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.085 -1.263 -21.272 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.128 -6.076 -28.057 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.008 -7.029 -28.808 1.00 0.00 C ATOM 1473 C LYS A 89 -2.340 -8.415 -29.076 1.00 0.00 C ATOM 1474 O LYS A 89 -2.974 -9.302 -29.641 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.486 -6.420 -30.158 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.367 -6.174 -31.202 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.903 -5.914 -32.634 1.00 0.00 C ATOM 1478 CE LYS A 89 -3.907 -4.746 -32.713 1.00 0.00 C ATOM 1479 NZ LYS A 89 -3.322 -3.458 -32.270 1.00 0.00 N ATOM 0 H LYS A 89 -1.879 -5.237 -28.581 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.865 -7.198 -28.156 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.230 -7.086 -30.596 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.986 -5.473 -29.955 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.768 -5.320 -30.886 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.704 -7.039 -31.222 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.062 -5.705 -33.296 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.382 -6.820 -33.004 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.261 -4.646 -33.739 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.776 -4.977 -32.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.060 -2.726 -32.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.931 -3.565 -31.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.564 -3.178 -32.924 1.00 0.00 H new ATOM 1493 N SER A 90 -1.086 -8.597 -28.631 1.00 0.00 N ATOM 1494 CA SER A 90 -0.304 -9.815 -28.868 1.00 0.00 C ATOM 1495 C SER A 90 0.226 -10.435 -27.560 1.00 0.00 C ATOM 1496 O SER A 90 1.088 -11.317 -27.592 1.00 0.00 O ATOM 1497 CB SER A 90 0.843 -9.457 -29.815 1.00 0.00 C ATOM 1498 OG SER A 90 0.346 -9.006 -31.065 1.00 0.00 O ATOM 0 H SER A 90 -0.584 -7.893 -28.091 1.00 0.00 H new ATOM 0 HA SER A 90 -0.946 -10.574 -29.316 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.463 -8.682 -29.365 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.481 -10.328 -29.966 1.00 0.00 H new ATOM 0 HG SER A 90 1.097 -8.781 -31.654 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.288 -9.966 -26.417 1.00 0.00 N ATOM 1505 CA VAL A 91 0.326 -10.305 -25.098 1.00 0.00 C ATOM 1506 C VAL A 91 -0.611 -11.096 -24.155 1.00 0.00 C ATOM 1507 O VAL A 91 -0.123 -11.880 -23.331 1.00 0.00 O ATOM 1508 CB VAL A 91 0.816 -9.006 -24.371 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.703 -9.359 -23.168 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.554 -8.054 -25.335 1.00 0.00 C ATOM 0 H VAL A 91 -1.109 -9.363 -26.362 1.00 0.00 H new ATOM 0 HA VAL A 91 1.169 -10.957 -25.326 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.068 -8.481 -24.008 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.032 -8.443 -22.678 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.135 -9.964 -22.462 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.573 -9.921 -23.509 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.878 -7.166 -24.792 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.424 -8.561 -25.752 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.883 -7.761 -26.142 1.00 0.00 H new ATOM 1520 N ARG A 92 -1.934 -10.874 -24.287 1.00 0.00 N ATOM 1521 CA ARG A 92 -2.984 -11.432 -23.385 1.00 0.00 C ATOM 1522 C ARG A 92 -2.877 -10.847 -21.946 1.00 0.00 C ATOM 1523 O ARG A 92 -3.646 -9.950 -21.584 1.00 0.00 O ATOM 1524 CB ARG A 92 -2.990 -12.998 -23.356 1.00 0.00 C ATOM 1525 CG ARG A 92 -4.067 -13.626 -22.430 1.00 0.00 C ATOM 1526 CD ARG A 92 -3.929 -15.155 -22.276 1.00 0.00 C ATOM 1527 NE ARG A 92 -4.153 -15.875 -23.545 1.00 0.00 N ATOM 1528 CZ ARG A 92 -3.619 -17.066 -23.874 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -2.716 -17.654 -23.104 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -3.971 -17.639 -25.012 1.00 0.00 N ATOM 0 H ARG A 92 -2.318 -10.294 -25.033 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.940 -11.121 -23.806 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.143 -13.366 -24.370 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.008 -13.346 -23.036 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.004 -13.162 -21.446 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.056 -13.396 -22.828 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.933 -15.390 -21.900 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.643 -15.508 -21.531 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.764 -15.432 -24.231 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.411 -17.204 -22.241 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.326 -18.557 -23.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.640 -17.179 -25.629 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.574 -18.541 -25.273 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.896 -11.328 -21.144 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.807 -10.989 -19.707 1.00 0.00 C ATOM 1546 C GLY A 93 -0.918 -9.778 -19.400 1.00 0.00 C ATOM 1547 O GLY A 93 -0.244 -9.758 -18.365 1.00 0.00 O ATOM 0 H GLY A 93 -1.157 -11.951 -21.470 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.810 -10.794 -19.329 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.424 -11.853 -19.164 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.965 -8.763 -20.290 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.071 -7.589 -20.166 1.00 0.00 C ATOM 1553 C LEU A 94 -0.438 -6.692 -18.955 1.00 0.00 C ATOM 1554 O LEU A 94 -1.561 -6.205 -18.824 1.00 0.00 O ATOM 1555 CB LEU A 94 0.072 -6.741 -21.450 1.00 0.00 C ATOM 1556 CG LEU A 94 1.262 -5.696 -21.437 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.557 -6.270 -20.793 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.592 -5.198 -22.856 1.00 0.00 C ATOM 0 H LEU A 94 -1.599 -8.731 -21.088 1.00 0.00 H new ATOM 0 HA LEU A 94 0.911 -8.028 -19.990 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.209 -7.413 -22.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.861 -6.203 -21.617 1.00 0.00 H new ATOM 0 HG LEU A 94 0.913 -4.863 -20.827 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.339 -5.511 -20.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.354 -6.557 -19.761 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.886 -7.144 -21.355 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.413 -4.483 -22.809 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.883 -6.043 -23.480 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.714 -4.715 -23.285 1.00 0.00 H new ATOM 1570 N VAL A 95 0.569 -6.548 -18.090 1.00 0.00 N ATOM 1571 CA VAL A 95 0.612 -5.649 -16.929 1.00 0.00 C ATOM 1572 C VAL A 95 1.754 -4.663 -17.198 1.00 0.00 C ATOM 1573 O VAL A 95 2.828 -5.121 -17.553 1.00 0.00 O ATOM 1574 CB VAL A 95 0.887 -6.435 -15.588 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.942 -5.484 -14.362 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.164 -7.557 -15.377 1.00 0.00 C ATOM 0 H VAL A 95 1.429 -7.088 -18.185 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.347 -5.146 -16.804 1.00 0.00 H new ATOM 0 HB VAL A 95 1.868 -6.901 -15.679 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.133 -6.065 -13.459 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.741 -4.756 -14.502 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.010 -4.962 -14.263 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.048 -8.083 -14.446 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.160 -7.118 -15.327 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.119 -8.259 -16.209 1.00 0.00 H new ATOM 1586 N VAL A 96 1.550 -3.329 -17.025 1.00 0.00 N ATOM 1587 CA VAL A 96 2.555 -2.298 -17.380 1.00 0.00 C ATOM 1588 C VAL A 96 2.671 -1.323 -16.177 1.00 0.00 C ATOM 1589 O VAL A 96 1.705 -0.640 -15.826 1.00 0.00 O ATOM 1590 CB VAL A 96 2.174 -1.488 -18.688 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.264 -0.453 -19.060 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.892 -2.427 -19.886 1.00 0.00 C ATOM 0 H VAL A 96 0.689 -2.943 -16.638 1.00 0.00 H new ATOM 0 HA VAL A 96 3.501 -2.796 -17.592 1.00 0.00 H new ATOM 0 HB VAL A 96 1.256 -0.947 -18.460 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.966 0.081 -19.962 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.387 0.256 -18.242 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.208 -0.967 -19.239 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.635 -1.832 -20.762 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.780 -3.021 -20.099 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.062 -3.090 -19.641 1.00 0.00 H new ATOM 1602 N VAL A 97 3.860 -1.293 -15.564 1.00 0.00 N ATOM 1603 CA VAL A 97 4.119 -0.549 -14.308 1.00 0.00 C ATOM 1604 C VAL A 97 5.025 0.671 -14.594 1.00 0.00 C ATOM 1605 O VAL A 97 6.123 0.506 -15.148 1.00 0.00 O ATOM 1606 CB VAL A 97 4.784 -1.487 -13.233 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.873 -0.800 -11.850 1.00 0.00 C ATOM 1608 CG2 VAL A 97 4.038 -2.848 -13.126 1.00 0.00 C ATOM 0 H VAL A 97 4.680 -1.784 -15.921 1.00 0.00 H new ATOM 0 HA VAL A 97 3.168 -0.197 -13.910 1.00 0.00 H new ATOM 0 HB VAL A 97 5.801 -1.686 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.338 -1.479 -11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.473 0.106 -11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.871 -0.542 -11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.524 -3.471 -12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.002 -2.673 -12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.066 -3.355 -14.091 1.00 0.00 H new ATOM 1618 N HIS A 98 4.566 1.893 -14.220 1.00 0.00 N ATOM 1619 CA HIS A 98 5.216 3.169 -14.575 1.00 0.00 C ATOM 1620 C HIS A 98 6.048 3.695 -13.366 1.00 0.00 C ATOM 1621 O HIS A 98 5.598 3.584 -12.222 1.00 0.00 O ATOM 1622 CB HIS A 98 4.125 4.205 -14.964 1.00 0.00 C ATOM 1623 CG HIS A 98 4.638 5.585 -15.320 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.764 6.581 -14.370 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.031 6.077 -16.522 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.221 7.638 -15.017 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.398 7.377 -16.314 1.00 0.00 N ATOM 0 H HIS A 98 3.724 2.015 -13.657 1.00 0.00 H new ATOM 0 HA HIS A 98 5.888 3.015 -15.420 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.563 3.815 -15.813 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.425 4.299 -14.134 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.050 5.544 -17.461 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.426 8.593 -14.555 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.743 8.028 -17.020 1.00 0.00 H new ATOM 1635 N PRO A 99 7.276 4.264 -13.611 1.00 0.00 N ATOM 1636 CA PRO A 99 8.175 4.810 -12.553 1.00 0.00 C ATOM 1637 C PRO A 99 7.530 5.800 -11.539 1.00 0.00 C ATOM 1638 O PRO A 99 7.583 5.583 -10.317 1.00 0.00 O ATOM 1639 CB PRO A 99 9.295 5.525 -13.377 1.00 0.00 C ATOM 1640 CG PRO A 99 8.806 5.566 -14.792 1.00 0.00 C ATOM 1641 CD PRO A 99 7.930 4.358 -14.944 1.00 0.00 C ATOM 0 HA PRO A 99 8.509 4.002 -11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.476 6.531 -12.998 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.238 4.983 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.250 6.482 -14.989 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.638 5.540 -15.496 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.202 4.483 -15.745 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.509 3.464 -15.176 1.00 0.00 H new ATOM 1649 N MET A 100 6.932 6.887 -12.064 1.00 0.00 N ATOM 1650 CA MET A 100 6.547 8.053 -11.230 1.00 0.00 C ATOM 1651 C MET A 100 5.203 7.870 -10.527 1.00 0.00 C ATOM 1652 O MET A 100 4.792 8.733 -9.736 1.00 0.00 O ATOM 1653 CB MET A 100 6.524 9.344 -12.067 1.00 0.00 C ATOM 1654 CG MET A 100 7.844 9.672 -12.753 1.00 0.00 C ATOM 1655 SD MET A 100 7.899 11.363 -13.387 1.00 0.00 S ATOM 1656 CE MET A 100 6.411 11.426 -14.392 1.00 0.00 C ATOM 0 H MET A 100 6.704 6.986 -13.053 1.00 0.00 H new ATOM 0 HA MET A 100 7.309 8.133 -10.455 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.746 9.257 -12.825 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.247 10.177 -11.421 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.662 9.526 -12.047 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.005 8.975 -13.575 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.409 12.343 -14.982 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.386 10.565 -15.060 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.534 11.409 -13.745 1.00 0.00 H new ATOM 1666 N THR A 101 4.525 6.746 -10.800 1.00 0.00 N ATOM 1667 CA THR A 101 3.291 6.381 -10.093 1.00 0.00 C ATOM 1668 C THR A 101 3.613 5.980 -8.651 1.00 0.00 C ATOM 1669 O THR A 101 4.792 5.873 -8.266 1.00 0.00 O ATOM 1670 CB THR A 101 2.530 5.204 -10.791 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.329 4.012 -10.758 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.149 5.547 -12.237 1.00 0.00 C ATOM 0 H THR A 101 4.813 6.072 -11.509 1.00 0.00 H new ATOM 0 HA THR A 101 2.644 7.258 -10.110 1.00 0.00 H new ATOM 0 HB THR A 101 1.605 5.035 -10.239 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.076 4.102 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.623 4.704 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.502 6.424 -12.244 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.051 5.758 -12.811 1.00 0.00 H new ATOM 1680 N ALA A 102 2.553 5.766 -7.866 1.00 0.00 N ATOM 1681 CA ALA A 102 2.660 5.227 -6.523 1.00 0.00 C ATOM 1682 C ALA A 102 3.438 3.898 -6.545 1.00 0.00 C ATOM 1683 O ALA A 102 4.503 3.820 -5.953 1.00 0.00 O ATOM 1684 CB ALA A 102 1.266 5.053 -5.901 1.00 0.00 C ATOM 0 H ALA A 102 1.595 5.966 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 102 3.214 5.930 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.365 4.648 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.765 6.020 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.678 4.368 -6.512 1.00 0.00 H new ATOM 1690 N LEU A 103 2.861 2.867 -7.208 1.00 0.00 N ATOM 1691 CA LEU A 103 3.405 1.491 -7.257 1.00 0.00 C ATOM 1692 C LEU A 103 4.865 1.449 -7.802 1.00 0.00 C ATOM 1693 O LEU A 103 5.665 0.641 -7.324 1.00 0.00 O ATOM 1694 CB LEU A 103 2.510 0.569 -8.131 1.00 0.00 C ATOM 1695 CG LEU A 103 2.858 -0.957 -8.072 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.653 -1.530 -6.643 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.055 -1.760 -9.120 1.00 0.00 C ATOM 0 H LEU A 103 1.992 2.971 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 103 3.413 1.129 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.473 0.700 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.579 0.900 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 103 3.915 -1.061 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.903 -2.591 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.299 -1.001 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.612 -1.401 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.321 -2.815 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.988 -1.641 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.289 -1.391 -10.119 1.00 0.00 H new ATOM 1709 N GLY A 104 5.173 2.226 -8.874 1.00 0.00 N ATOM 1710 CA GLY A 104 6.556 2.391 -9.344 1.00 0.00 C ATOM 1711 C GLY A 104 7.527 2.760 -8.217 1.00 0.00 C ATOM 1712 O GLY A 104 8.351 1.933 -7.816 1.00 0.00 O ATOM 0 H GLY A 104 4.481 2.740 -9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.888 1.465 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.584 3.166 -10.110 1.00 0.00 H new ATOM 1716 N ARG A 105 7.412 4.004 -7.720 1.00 0.00 N ATOM 1717 CA ARG A 105 8.161 4.507 -6.528 1.00 0.00 C ATOM 1718 C ARG A 105 8.158 3.504 -5.337 1.00 0.00 C ATOM 1719 O ARG A 105 9.124 3.436 -4.573 1.00 0.00 O ATOM 1720 CB ARG A 105 7.574 5.875 -6.072 1.00 0.00 C ATOM 1721 CG ARG A 105 7.674 6.997 -7.134 1.00 0.00 C ATOM 1722 CD ARG A 105 7.019 8.317 -6.689 1.00 0.00 C ATOM 1723 NE ARG A 105 5.552 8.194 -6.562 1.00 0.00 N ATOM 1724 CZ ARG A 105 4.794 8.755 -5.610 1.00 0.00 C ATOM 1725 NH1 ARG A 105 5.334 9.474 -4.633 1.00 0.00 N ATOM 1726 NH2 ARG A 105 3.486 8.600 -5.647 1.00 0.00 N ATOM 0 H ARG A 105 6.794 4.704 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 105 9.200 4.627 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.526 5.737 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.094 6.197 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.724 7.179 -7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.202 6.658 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.441 8.626 -5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.256 9.100 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 105 5.072 7.630 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.345 9.608 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.738 9.892 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.058 8.056 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.902 9.024 -4.926 1.00 0.00 H new ATOM 1740 N GLU A 106 7.019 2.805 -5.202 1.00 0.00 N ATOM 1741 CA GLU A 106 6.844 1.711 -4.214 1.00 0.00 C ATOM 1742 C GLU A 106 7.947 0.653 -4.392 1.00 0.00 C ATOM 1743 O GLU A 106 8.867 0.575 -3.574 1.00 0.00 O ATOM 1744 CB GLU A 106 5.451 1.036 -4.290 1.00 0.00 C ATOM 1745 CG GLU A 106 5.158 0.022 -3.162 1.00 0.00 C ATOM 1746 CD GLU A 106 5.065 0.690 -1.783 1.00 0.00 C ATOM 1747 OE1 GLU A 106 3.992 1.241 -1.457 1.00 0.00 O ATOM 1748 OE2 GLU A 106 6.061 0.688 -1.032 1.00 0.00 O ATOM 0 H GLU A 106 6.190 2.977 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 106 6.920 2.170 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.686 1.812 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.362 0.526 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.222 -0.495 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.943 -0.734 -3.144 1.00 0.00 H new ATOM 1755 N MET A 107 7.877 -0.150 -5.480 1.00 0.00 N ATOM 1756 CA MET A 107 8.852 -1.236 -5.763 1.00 0.00 C ATOM 1757 C MET A 107 10.228 -0.674 -6.199 1.00 0.00 C ATOM 1758 O MET A 107 11.159 -1.446 -6.433 1.00 0.00 O ATOM 1759 CB MET A 107 8.321 -2.248 -6.832 1.00 0.00 C ATOM 1760 CG MET A 107 6.936 -2.863 -6.529 1.00 0.00 C ATOM 1761 SD MET A 107 6.708 -4.508 -7.259 1.00 0.00 S ATOM 1762 CE MET A 107 6.844 -4.232 -9.025 1.00 0.00 C ATOM 0 H MET A 107 7.146 -0.066 -6.186 1.00 0.00 H new ATOM 0 HA MET A 107 8.981 -1.777 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.272 -1.741 -7.796 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.045 -3.057 -6.934 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.804 -2.931 -5.449 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.160 -2.196 -6.904 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.718 -5.178 -9.552 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.071 -3.533 -9.345 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.825 -3.817 -9.254 1.00 0.00 H new ATOM 1772 N GLY A 108 10.338 0.668 -6.291 1.00 0.00 N ATOM 1773 CA GLY A 108 11.585 1.342 -6.645 1.00 0.00 C ATOM 1774 C GLY A 108 11.915 1.244 -8.130 1.00 0.00 C ATOM 1775 O GLY A 108 13.078 1.157 -8.504 1.00 0.00 O ATOM 0 H GLY A 108 9.560 1.306 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.517 2.392 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.402 0.909 -6.068 1.00 0.00 H new ATOM 1779 N LEU A 109 10.874 1.243 -8.973 1.00 0.00 N ATOM 1780 CA LEU A 109 11.039 1.234 -10.436 1.00 0.00 C ATOM 1781 C LEU A 109 11.189 2.676 -10.937 1.00 0.00 C ATOM 1782 O LEU A 109 10.360 3.525 -10.614 1.00 0.00 O ATOM 1783 CB LEU A 109 9.828 0.548 -11.127 1.00 0.00 C ATOM 1784 CG LEU A 109 9.504 -0.917 -10.668 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.376 -1.531 -11.527 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.759 -1.827 -10.691 1.00 0.00 C ATOM 0 H LEU A 109 9.901 1.248 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 109 11.934 0.665 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.944 1.163 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.008 0.538 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 109 9.162 -0.856 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.172 -2.546 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.474 -0.927 -11.429 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.685 -1.553 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.486 -2.831 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.159 -1.870 -11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.515 -1.421 -10.019 1.00 0.00 H new ATOM 1798 N GLU A 110 12.268 2.940 -11.691 1.00 0.00 N ATOM 1799 CA GLU A 110 12.513 4.238 -12.364 1.00 0.00 C ATOM 1800 C GLU A 110 12.425 4.080 -13.903 1.00 0.00 C ATOM 1801 O GLU A 110 12.680 5.027 -14.648 1.00 0.00 O ATOM 1802 CB GLU A 110 13.877 4.819 -11.913 1.00 0.00 C ATOM 1803 CG GLU A 110 15.084 3.896 -12.179 1.00 0.00 C ATOM 1804 CD GLU A 110 16.355 4.381 -11.466 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.522 4.070 -10.270 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.174 5.096 -12.079 1.00 0.00 O ATOM 0 H GLU A 110 13.006 2.255 -11.856 1.00 0.00 H new ATOM 0 HA GLU A 110 11.738 4.947 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.041 5.767 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.830 5.037 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.846 2.885 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.269 3.843 -13.252 1.00 0.00 H new ATOM 1813 N GLU A 111 11.994 2.879 -14.340 1.00 0.00 N ATOM 1814 CA GLU A 111 11.787 2.568 -15.781 1.00 0.00 C ATOM 1815 C GLU A 111 10.488 1.759 -15.969 1.00 0.00 C ATOM 1816 O GLU A 111 10.180 0.901 -15.129 1.00 0.00 O ATOM 1817 CB GLU A 111 13.011 1.778 -16.330 1.00 0.00 C ATOM 1818 CG GLU A 111 13.078 1.673 -17.868 1.00 0.00 C ATOM 1819 CD GLU A 111 13.211 3.052 -18.549 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.299 3.665 -18.472 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.225 3.546 -19.137 1.00 0.00 O ATOM 0 H GLU A 111 11.780 2.101 -13.716 1.00 0.00 H new ATOM 0 HA GLU A 111 11.693 3.499 -16.339 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.923 2.255 -15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.993 0.772 -15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.926 1.049 -18.150 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.180 1.175 -18.235 1.00 0.00 H new ATOM 1828 N MET A 112 9.704 2.065 -17.042 1.00 0.00 N ATOM 1829 CA MET A 112 8.435 1.362 -17.346 1.00 0.00 C ATOM 1830 C MET A 112 8.704 -0.112 -17.735 1.00 0.00 C ATOM 1831 O MET A 112 9.325 -0.420 -18.783 1.00 0.00 O ATOM 1832 CB MET A 112 7.659 2.058 -18.497 1.00 0.00 C ATOM 1833 CG MET A 112 6.409 1.295 -18.967 1.00 0.00 C ATOM 1834 SD MET A 112 5.388 2.235 -20.114 1.00 0.00 S ATOM 1835 CE MET A 112 4.626 3.410 -18.994 1.00 0.00 C ATOM 0 H MET A 112 9.936 2.799 -17.711 1.00 0.00 H new ATOM 0 HA MET A 112 7.826 1.396 -16.442 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.361 3.054 -18.169 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.331 2.190 -19.345 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.718 0.365 -19.445 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.810 1.023 -18.098 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.544 3.280 -19.011 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.996 3.241 -17.983 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.875 4.424 -19.306 1.00 0.00 H new ATOM 1845 N THR A 113 8.205 -1.019 -16.899 1.00 0.00 N ATOM 1846 CA THR A 113 8.478 -2.457 -17.017 1.00 0.00 C ATOM 1847 C THR A 113 7.110 -3.140 -17.279 1.00 0.00 C ATOM 1848 O THR A 113 6.077 -2.519 -16.997 1.00 0.00 O ATOM 1849 CB THR A 113 9.116 -2.930 -15.667 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.293 -2.144 -15.407 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.491 -4.418 -15.640 1.00 0.00 C ATOM 0 H THR A 113 7.597 -0.781 -16.116 1.00 0.00 H new ATOM 0 HA THR A 113 9.167 -2.704 -17.824 1.00 0.00 H new ATOM 0 HB THR A 113 8.357 -2.789 -14.898 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.032 -1.223 -15.197 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.926 -4.666 -14.672 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.598 -5.021 -15.802 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.216 -4.625 -16.427 1.00 0.00 H new ATOM 1859 N GLY A 114 7.048 -4.380 -17.822 1.00 0.00 N ATOM 1860 CA GLY A 114 5.758 -5.076 -17.929 1.00 0.00 C ATOM 1861 C GLY A 114 5.839 -6.601 -17.878 1.00 0.00 C ATOM 1862 O GLY A 114 6.708 -7.208 -18.507 1.00 0.00 O ATOM 0 H GLY A 114 7.850 -4.898 -18.179 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.110 -4.735 -17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.282 -4.784 -18.865 1.00 0.00 H new ATOM 1866 N PHE A 115 4.882 -7.216 -17.152 1.00 0.00 N ATOM 1867 CA PHE A 115 4.798 -8.681 -16.943 1.00 0.00 C ATOM 1868 C PHE A 115 3.654 -9.261 -17.789 1.00 0.00 C ATOM 1869 O PHE A 115 2.837 -8.496 -18.320 1.00 0.00 O ATOM 1870 CB PHE A 115 4.566 -8.976 -15.438 1.00 0.00 C ATOM 1871 CG PHE A 115 5.635 -8.377 -14.516 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.593 -7.024 -14.154 1.00 0.00 C ATOM 1873 CD2 PHE A 115 6.678 -9.157 -14.016 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.556 -6.480 -13.326 1.00 0.00 C ATOM 1875 CE2 PHE A 115 7.640 -8.610 -13.188 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.578 -7.272 -12.840 1.00 0.00 C ATOM 0 H PHE A 115 4.133 -6.703 -16.686 1.00 0.00 H new ATOM 0 HA PHE A 115 5.732 -9.150 -17.254 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.590 -8.587 -15.148 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.536 -10.055 -15.290 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.797 -6.397 -14.528 1.00 0.00 H new ATOM 0 HD2 PHE A 115 6.735 -10.203 -14.280 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.510 -5.435 -13.059 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.442 -9.228 -12.812 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.328 -6.847 -12.189 1.00 0.00 H new ATOM 1886 N SER A 116 3.566 -10.605 -17.900 1.00 0.00 N ATOM 1887 CA SER A 116 2.548 -11.263 -18.726 1.00 0.00 C ATOM 1888 C SER A 116 2.449 -12.763 -18.414 1.00 0.00 C ATOM 1889 O SER A 116 3.398 -13.393 -17.950 1.00 0.00 O ATOM 1890 CB SER A 116 2.812 -11.064 -20.228 1.00 0.00 C ATOM 1891 OG SER A 116 1.762 -11.608 -21.013 1.00 0.00 O ATOM 0 H SER A 116 4.194 -11.252 -17.423 1.00 0.00 H new ATOM 0 HA SER A 116 1.598 -10.790 -18.477 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.916 -10.001 -20.443 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.755 -11.538 -20.500 1.00 0.00 H new ATOM 0 HG SER A 116 2.141 -12.166 -21.724 1.00 0.00 H new ATOM 1897 N LYS A 117 1.259 -13.313 -18.643 1.00 0.00 N ATOM 1898 CA LYS A 117 1.010 -14.755 -18.587 1.00 0.00 C ATOM 1899 C LYS A 117 1.393 -15.437 -19.906 1.00 0.00 C ATOM 1900 O LYS A 117 1.547 -16.662 -19.954 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.480 -14.996 -18.268 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.849 -14.723 -16.787 1.00 0.00 C ATOM 1903 CD LYS A 117 -0.351 -15.843 -15.845 1.00 0.00 C ATOM 1904 CE LYS A 117 -1.007 -17.207 -16.137 1.00 0.00 C ATOM 1905 NZ LYS A 117 -0.375 -18.308 -15.363 1.00 0.00 N ATOM 0 H LYS A 117 0.430 -12.766 -18.875 1.00 0.00 H new ATOM 0 HA LYS A 117 1.629 -15.190 -17.803 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.088 -14.358 -18.909 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.733 -16.028 -18.513 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.418 -13.771 -16.477 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.931 -14.628 -16.696 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.731 -15.938 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -0.556 -15.560 -14.812 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.069 -17.157 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.932 -17.424 -17.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.847 -19.207 -15.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.633 -18.373 -15.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.468 -18.115 -14.345 1.00 0.00 H new ATOM 1919 N THR A 118 1.543 -14.632 -20.970 1.00 0.00 N ATOM 1920 CA THR A 118 1.754 -15.124 -22.335 1.00 0.00 C ATOM 1921 C THR A 118 2.914 -14.339 -23.004 1.00 0.00 C ATOM 1922 O THR A 118 3.387 -13.337 -22.462 1.00 0.00 O ATOM 1923 CB THR A 118 0.411 -15.000 -23.144 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.700 -15.332 -22.292 1.00 0.00 O ATOM 1925 CG2 THR A 118 0.359 -15.934 -24.358 1.00 0.00 C ATOM 0 H THR A 118 1.521 -13.614 -20.903 1.00 0.00 H new ATOM 0 HA THR A 118 2.040 -16.176 -22.319 1.00 0.00 H new ATOM 0 HB THR A 118 0.357 -13.970 -23.496 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.601 -16.252 -21.969 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.591 -15.804 -24.877 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.178 -15.695 -25.036 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.452 -16.968 -24.026 1.00 0.00 H new ATOM 1933 N THR A 119 3.373 -14.814 -24.169 1.00 0.00 N ATOM 1934 CA THR A 119 4.577 -14.302 -24.851 1.00 0.00 C ATOM 1935 C THR A 119 4.370 -12.892 -25.453 1.00 0.00 C ATOM 1936 O THR A 119 3.249 -12.518 -25.836 1.00 0.00 O ATOM 1937 CB THR A 119 5.044 -15.300 -25.964 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.263 -14.842 -26.581 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.969 -15.525 -27.051 1.00 0.00 C ATOM 0 H THR A 119 2.916 -15.574 -24.673 1.00 0.00 H new ATOM 0 HA THR A 119 5.354 -14.215 -24.091 1.00 0.00 H new ATOM 0 HB THR A 119 5.218 -16.255 -25.468 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.539 -15.479 -27.272 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.346 -16.225 -27.796 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.068 -15.933 -26.593 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.733 -14.575 -27.532 1.00 0.00 H new ATOM 1947 N PHE A 120 5.482 -12.130 -25.519 1.00 0.00 N ATOM 1948 CA PHE A 120 5.541 -10.784 -26.113 1.00 0.00 C ATOM 1949 C PHE A 120 7.014 -10.354 -26.348 1.00 0.00 C ATOM 1950 O PHE A 120 7.368 -9.996 -27.491 1.00 0.00 O ATOM 1951 CB PHE A 120 4.755 -9.726 -25.275 1.00 0.00 C ATOM 1952 CG PHE A 120 5.184 -9.475 -23.815 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.605 -10.515 -22.977 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.136 -8.191 -23.280 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.955 -10.271 -21.672 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.480 -7.951 -21.968 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.897 -8.990 -21.165 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.823 -10.419 -25.398 1.00 0.00 O ATOM 0 H PHE A 120 6.381 -12.443 -25.152 1.00 0.00 H new ATOM 0 HA PHE A 120 5.043 -10.833 -27.081 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.812 -8.775 -25.805 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.706 -10.024 -25.266 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.655 -11.523 -23.362 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.823 -7.368 -23.905 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.277 -11.086 -21.040 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.423 -6.949 -21.569 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.178 -8.801 -20.139 1.00 0.00 H new TER 1968 PHE A 120