USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1158 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 24 ASN : amide:sc= 0 K(o=-0.00063,f=0.89) USER MOD Set 1.2: A 25 GLN : amide:sc=-0.000634 K(o=-0.00063,f=0.89) USER MOD Set 2.1: A 8 ASN : amide:sc= 1.46 K(o=3.2,f=-7.7!) USER MOD Set 2.2: A 10 ASN : amide:sc= 0.394 K(o=3.2,f=-0.76) USER MOD Set 2.3: A 61 LYS NZ :NH3+ 179:sc= 1.3 (180deg=0.133) USER MOD Set 3.1: A 9 THR OG1 : rot 59:sc= 0.159 USER MOD Set 3.2: A 83 GLN : amide:sc= -1.48 K(o=-1.3,f=-3.7!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 147:sc= 0.96 (180deg=0.117) USER MOD Set 4.2: A 50 ASN : amide:sc= 0.714 K(o=1.7,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc=1.61e-05 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.306 K(o=-0.31,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc=-0.00605 (180deg=-0.0979) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00501) USER MOD Single : A 27 TYR OH : rot 66:sc= 0.352 USER MOD Single : A 28 GLN : amide:sc= 0.193 X(o=0.19,f=-0.0092) USER MOD Single : A 33 ASN : amide:sc= 0.155 X(o=0.16,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0.0464 (180deg=0.045) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.838) USER MOD Single : A 42 MET CE :methyl 165:sc= -2.12 (180deg=-2.47!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= -0.0118 (180deg=-0.0935) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0285) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 1.1 (180deg=1.04) USER MOD Single : A 58 SER OG : rot -108:sc= 0.0523 USER MOD Single : A 59 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.72) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.035) USER MOD Single : A 67 MET CE :methyl -168:sc= -1.64 (180deg=-2.17!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= 0.724 (180deg=0.0236) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0204) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.7!) USER MOD Single : A 102 TYR OH : rot -157:sc= 1.08 USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= 0.497 (180deg=0.433) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -157:sc= -1.6 (180deg=-2.77!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -152:sc= 0.763 (180deg=0.0944) USER MOD Single : A 126 SER OG : rot 65:sc= 1.03 USER MOD Single : A 129 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-1.6!) USER MOD Single : A 130 HIS : no HD1:sc= -0.447 K(o=-0.45,f=-1.4) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.0003) USER MOD Single : A 132 HIS : no HE2:sc= 0.356 K(o=0.36,f=-2.2!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 134 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.308 6.012 17.145 1.00 14.43 N ATOM 2 CA MET A 1 1.017 6.579 15.973 1.00 52.51 C ATOM 3 C MET A 1 1.770 5.459 15.257 1.00 14.45 C ATOM 4 O MET A 1 2.552 4.747 15.884 1.00 20.43 O ATOM 5 CB MET A 1 2.004 7.692 16.429 1.00 61.32 C ATOM 6 CG MET A 1 2.822 8.346 15.304 1.00 12.44 C ATOM 7 SD MET A 1 3.937 9.625 15.926 1.00 75.41 S ATOM 8 CE MET A 1 4.750 10.159 14.418 1.00 61.14 C ATOM 0 H1 MET A 1 0.218 6.740 17.882 1.00 14.43 H new ATOM 0 H2 MET A 1 -0.639 5.692 16.857 1.00 14.43 H new ATOM 0 H3 MET A 1 0.847 5.205 17.520 1.00 14.43 H new ATOM 0 HA MET A 1 0.295 7.024 15.289 1.00 52.51 H new ATOM 0 HB2 MET A 1 1.438 8.469 16.943 1.00 61.32 H new ATOM 0 HB3 MET A 1 2.694 7.266 17.157 1.00 61.32 H new ATOM 0 HG2 MET A 1 3.402 7.581 14.787 1.00 12.44 H new ATOM 0 HG3 MET A 1 2.144 8.783 14.571 1.00 12.44 H new ATOM 0 HE1 MET A 1 5.467 10.947 14.650 1.00 61.14 H new ATOM 0 HE2 MET A 1 5.272 9.315 13.968 1.00 61.14 H new ATOM 0 HE3 MET A 1 4.006 10.540 13.719 1.00 61.14 H new ATOM 20 N LYS A 2 1.538 5.311 13.939 1.00 44.21 N ATOM 21 CA LYS A 2 2.156 4.247 13.132 1.00 72.13 C ATOM 22 C LYS A 2 2.259 4.672 11.657 1.00 12.52 C ATOM 23 O LYS A 2 1.408 5.412 11.151 1.00 52.11 O ATOM 24 CB LYS A 2 1.352 2.922 13.291 1.00 1.34 C ATOM 25 CG LYS A 2 -0.165 3.033 13.002 1.00 12.32 C ATOM 26 CD LYS A 2 -0.943 1.736 13.366 1.00 2.33 C ATOM 27 CE LYS A 2 -0.883 1.400 14.866 1.00 2.24 C ATOM 28 NZ LYS A 2 -1.582 0.118 15.192 1.00 52.02 N ATOM 0 H LYS A 2 0.919 5.924 13.408 1.00 44.21 H new ATOM 0 HA LYS A 2 3.170 4.073 13.492 1.00 72.13 H new ATOM 0 HB2 LYS A 2 1.779 2.174 12.623 1.00 1.34 H new ATOM 0 HB3 LYS A 2 1.486 2.554 14.308 1.00 1.34 H new ATOM 0 HG2 LYS A 2 -0.578 3.869 13.566 1.00 12.32 H new ATOM 0 HG3 LYS A 2 -0.314 3.256 11.946 1.00 12.32 H new ATOM 0 HD2 LYS A 2 -1.985 1.848 13.066 1.00 2.33 H new ATOM 0 HD3 LYS A 2 -0.534 0.902 12.796 1.00 2.33 H new ATOM 0 HE2 LYS A 2 0.159 1.332 15.179 1.00 2.24 H new ATOM 0 HE3 LYS A 2 -1.335 2.212 15.436 1.00 2.24 H new ATOM 0 HZ1 LYS A 2 -1.096 -0.351 15.983 1.00 52.02 H new ATOM 0 HZ2 LYS A 2 -2.567 0.318 15.461 1.00 52.02 H new ATOM 0 HZ3 LYS A 2 -1.570 -0.505 14.360 1.00 52.02 H new ATOM 42 N ILE A 3 3.342 4.225 10.994 1.00 71.14 N ATOM 43 CA ILE A 3 3.554 4.425 9.549 1.00 35.10 C ATOM 44 C ILE A 3 3.017 3.194 8.805 1.00 52.40 C ATOM 45 O ILE A 3 3.350 2.058 9.157 1.00 70.11 O ATOM 46 CB ILE A 3 5.079 4.636 9.203 1.00 14.35 C ATOM 47 CG1 ILE A 3 5.643 5.891 9.940 1.00 32.03 C ATOM 48 CG2 ILE A 3 5.305 4.739 7.674 1.00 21.21 C ATOM 49 CD1 ILE A 3 7.138 6.124 9.761 1.00 33.43 C ATOM 0 H ILE A 3 4.098 3.713 11.448 1.00 71.14 H new ATOM 0 HA ILE A 3 3.024 5.326 9.239 1.00 35.10 H new ATOM 0 HB ILE A 3 5.625 3.760 9.554 1.00 14.35 H new ATOM 0 HG12 ILE A 3 5.108 6.772 9.586 1.00 32.03 H new ATOM 0 HG13 ILE A 3 5.430 5.795 11.005 1.00 32.03 H new ATOM 0 HG21 ILE A 3 6.366 4.884 7.472 1.00 21.21 H new ATOM 0 HG22 ILE A 3 4.966 3.821 7.193 1.00 21.21 H new ATOM 0 HG23 ILE A 3 4.742 5.584 7.279 1.00 21.21 H new ATOM 0 HD11 ILE A 3 7.435 7.018 10.310 1.00 33.43 H new ATOM 0 HD12 ILE A 3 7.689 5.264 10.143 1.00 33.43 H new ATOM 0 HD13 ILE A 3 7.361 6.257 8.702 1.00 33.43 H new ATOM 61 N LEU A 4 2.173 3.423 7.800 1.00 54.01 N ATOM 62 CA LEU A 4 1.517 2.352 7.044 1.00 53.21 C ATOM 63 C LEU A 4 2.082 2.334 5.618 1.00 1.24 C ATOM 64 O LEU A 4 2.282 3.389 5.019 1.00 44.44 O ATOM 65 CB LEU A 4 -0.020 2.592 7.050 1.00 34.12 C ATOM 66 CG LEU A 4 -0.660 2.824 8.463 1.00 4.34 C ATOM 67 CD1 LEU A 4 -2.148 3.193 8.356 1.00 22.25 C ATOM 68 CD2 LEU A 4 -0.457 1.608 9.387 1.00 4.44 C ATOM 0 H LEU A 4 1.923 4.360 7.484 1.00 54.01 H new ATOM 0 HA LEU A 4 1.709 1.381 7.500 1.00 53.21 H new ATOM 0 HB2 LEU A 4 -0.238 3.458 6.425 1.00 34.12 H new ATOM 0 HB3 LEU A 4 -0.506 1.734 6.586 1.00 34.12 H new ATOM 0 HG LEU A 4 -0.140 3.670 8.913 1.00 4.34 H new ATOM 0 HD11 LEU A 4 -2.558 3.346 9.354 1.00 22.25 H new ATOM 0 HD12 LEU A 4 -2.255 4.109 7.775 1.00 22.25 H new ATOM 0 HD13 LEU A 4 -2.688 2.386 7.862 1.00 22.25 H new ATOM 0 HD21 LEU A 4 -0.914 1.807 10.356 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -0.922 0.730 8.940 1.00 4.44 H new ATOM 0 HD23 LEU A 4 0.609 1.426 9.519 1.00 4.44 H new ATOM 80 N ILE A 5 2.398 1.145 5.098 1.00 43.53 N ATOM 81 CA ILE A 5 2.884 0.990 3.717 1.00 51.11 C ATOM 82 C ILE A 5 1.770 0.305 2.915 1.00 11.10 C ATOM 83 O ILE A 5 1.546 -0.897 3.069 1.00 54.54 O ATOM 84 CB ILE A 5 4.216 0.141 3.645 1.00 21.45 C ATOM 85 CG1 ILE A 5 5.292 0.633 4.677 1.00 62.54 C ATOM 86 CG2 ILE A 5 4.796 0.141 2.205 1.00 40.44 C ATOM 87 CD1 ILE A 5 5.878 2.007 4.408 1.00 23.15 C ATOM 0 H ILE A 5 2.327 0.268 5.614 1.00 43.53 H new ATOM 0 HA ILE A 5 3.123 1.970 3.304 1.00 51.11 H new ATOM 0 HB ILE A 5 3.955 -0.882 3.915 1.00 21.45 H new ATOM 0 HG12 ILE A 5 4.842 0.638 5.670 1.00 62.54 H new ATOM 0 HG13 ILE A 5 6.106 -0.092 4.699 1.00 62.54 H new ATOM 0 HG21 ILE A 5 5.712 -0.450 2.182 1.00 40.44 H new ATOM 0 HG22 ILE A 5 4.068 -0.292 1.519 1.00 40.44 H new ATOM 0 HG23 ILE A 5 5.016 1.164 1.902 1.00 40.44 H new ATOM 0 HD11 ILE A 5 6.609 2.248 5.180 1.00 23.15 H new ATOM 0 HD12 ILE A 5 6.365 2.010 3.433 1.00 23.15 H new ATOM 0 HD13 ILE A 5 5.081 2.751 4.418 1.00 23.15 H new ATOM 99 N LEU A 6 1.045 1.079 2.100 1.00 20.52 N ATOM 100 CA LEU A 6 -0.069 0.561 1.295 1.00 52.31 C ATOM 101 C LEU A 6 0.524 0.080 -0.034 1.00 12.44 C ATOM 102 O LEU A 6 1.080 0.875 -0.790 1.00 60.41 O ATOM 103 CB LEU A 6 -1.143 1.676 1.056 1.00 55.40 C ATOM 104 CG LEU A 6 -2.649 1.228 0.960 1.00 12.10 C ATOM 105 CD1 LEU A 6 -2.887 0.073 -0.046 1.00 61.24 C ATOM 106 CD2 LEU A 6 -3.210 0.888 2.354 1.00 44.32 C ATOM 0 H LEU A 6 1.212 2.078 1.979 1.00 20.52 H new ATOM 0 HA LEU A 6 -0.571 -0.258 1.810 1.00 52.31 H new ATOM 0 HB2 LEU A 6 -1.059 2.402 1.865 1.00 55.40 H new ATOM 0 HB3 LEU A 6 -0.888 2.196 0.133 1.00 55.40 H new ATOM 0 HG LEU A 6 -3.199 2.081 0.563 1.00 12.10 H new ATOM 0 HD11 LEU A 6 -3.946 -0.184 -0.061 1.00 61.24 H new ATOM 0 HD12 LEU A 6 -2.576 0.388 -1.042 1.00 61.24 H new ATOM 0 HD13 LEU A 6 -2.306 -0.798 0.256 1.00 61.24 H new ATOM 0 HD21 LEU A 6 -4.252 0.581 2.262 1.00 44.32 H new ATOM 0 HD22 LEU A 6 -2.630 0.076 2.791 1.00 44.32 H new ATOM 0 HD23 LEU A 6 -3.146 1.766 2.996 1.00 44.32 H new ATOM 118 N ILE A 7 0.447 -1.221 -0.289 1.00 45.20 N ATOM 119 CA ILE A 7 0.905 -1.818 -1.549 1.00 54.34 C ATOM 120 C ILE A 7 -0.294 -2.443 -2.267 1.00 23.22 C ATOM 121 O ILE A 7 -1.105 -3.150 -1.658 1.00 43.31 O ATOM 122 CB ILE A 7 2.024 -2.895 -1.308 1.00 5.42 C ATOM 123 CG1 ILE A 7 3.236 -2.241 -0.576 1.00 42.22 C ATOM 124 CG2 ILE A 7 2.467 -3.566 -2.636 1.00 11.32 C ATOM 125 CD1 ILE A 7 4.354 -3.195 -0.236 1.00 21.44 C ATOM 0 H ILE A 7 0.065 -1.898 0.371 1.00 45.20 H new ATOM 0 HA ILE A 7 1.342 -1.035 -2.168 1.00 54.34 H new ATOM 0 HB ILE A 7 1.613 -3.683 -0.676 1.00 5.42 H new ATOM 0 HG12 ILE A 7 3.635 -1.443 -1.203 1.00 42.22 H new ATOM 0 HG13 ILE A 7 2.880 -1.776 0.344 1.00 42.22 H new ATOM 0 HG21 ILE A 7 3.242 -4.305 -2.430 1.00 11.32 H new ATOM 0 HG22 ILE A 7 1.611 -4.057 -3.099 1.00 11.32 H new ATOM 0 HG23 ILE A 7 2.860 -2.808 -3.313 1.00 11.32 H new ATOM 0 HD11 ILE A 7 5.153 -2.653 0.270 1.00 21.44 H new ATOM 0 HD12 ILE A 7 3.976 -3.980 0.419 1.00 21.44 H new ATOM 0 HD13 ILE A 7 4.742 -3.642 -1.151 1.00 21.44 H new ATOM 137 N ASN A 8 -0.408 -2.142 -3.558 1.00 1.40 N ATOM 138 CA ASN A 8 -1.435 -2.690 -4.434 1.00 52.23 C ATOM 139 C ASN A 8 -0.751 -3.279 -5.650 1.00 34.13 C ATOM 140 O ASN A 8 -0.102 -2.563 -6.401 1.00 53.11 O ATOM 141 CB ASN A 8 -2.418 -1.573 -4.835 1.00 71.14 C ATOM 142 CG ASN A 8 -3.505 -1.932 -5.870 1.00 25.34 C ATOM 143 OD1 ASN A 8 -3.982 -1.048 -6.578 1.00 21.32 O ATOM 144 ND2 ASN A 8 -3.912 -3.195 -5.976 1.00 1.11 N ATOM 0 H ASN A 8 0.224 -1.497 -4.032 1.00 1.40 H new ATOM 0 HA ASN A 8 -2.003 -3.470 -3.928 1.00 52.23 H new ATOM 0 HB2 ASN A 8 -2.915 -1.219 -3.932 1.00 71.14 H new ATOM 0 HB3 ASN A 8 -1.839 -0.738 -5.229 1.00 71.14 H new ATOM 0 HD21 ASN A 8 -4.632 -3.444 -6.654 1.00 1.11 H new ATOM 0 HD22 ASN A 8 -3.504 -3.914 -5.379 1.00 1.11 H new ATOM 151 N THR A 9 -0.844 -4.591 -5.784 1.00 30.04 N ATOM 152 CA THR A 9 -0.418 -5.312 -6.979 1.00 34.31 C ATOM 153 C THR A 9 -1.597 -6.150 -7.475 1.00 22.04 C ATOM 154 O THR A 9 -2.366 -6.698 -6.666 1.00 34.44 O ATOM 155 CB THR A 9 0.856 -6.194 -6.712 1.00 24.42 C ATOM 156 OG1 THR A 9 1.198 -6.946 -7.890 1.00 42.35 O ATOM 157 CG2 THR A 9 0.686 -7.147 -5.515 1.00 23.55 C ATOM 0 H THR A 9 -1.223 -5.198 -5.057 1.00 30.04 H new ATOM 0 HA THR A 9 -0.125 -4.599 -7.750 1.00 34.31 H new ATOM 0 HB THR A 9 1.664 -5.507 -6.462 1.00 24.42 H new ATOM 0 HG1 THR A 9 1.368 -6.330 -8.633 1.00 42.35 H new ATOM 0 HG21 THR A 9 1.598 -7.729 -5.381 1.00 23.55 H new ATOM 0 HG22 THR A 9 0.490 -6.567 -4.613 1.00 23.55 H new ATOM 0 HG23 THR A 9 -0.150 -7.821 -5.702 1.00 23.55 H new ATOM 165 N ASN A 10 -1.756 -6.214 -8.801 1.00 24.13 N ATOM 166 CA ASN A 10 -2.777 -7.054 -9.454 1.00 13.50 C ATOM 167 C ASN A 10 -2.225 -8.487 -9.619 1.00 64.54 C ATOM 168 O ASN A 10 -2.961 -9.439 -9.897 1.00 10.05 O ATOM 169 CB ASN A 10 -3.148 -6.469 -10.842 1.00 44.33 C ATOM 170 CG ASN A 10 -3.561 -4.990 -10.813 1.00 4.33 C ATOM 171 OD1 ASN A 10 -4.135 -4.501 -9.837 1.00 54.11 O ATOM 172 ND2 ASN A 10 -3.267 -4.266 -11.882 1.00 43.34 N ATOM 0 H ASN A 10 -1.181 -5.685 -9.457 1.00 24.13 H new ATOM 0 HA ASN A 10 -3.674 -7.075 -8.836 1.00 13.50 H new ATOM 0 HB2 ASN A 10 -2.295 -6.583 -11.511 1.00 44.33 H new ATOM 0 HB3 ASN A 10 -3.965 -7.054 -11.264 1.00 44.33 H new ATOM 0 HD21 ASN A 10 -3.516 -3.277 -11.913 1.00 43.34 H new ATOM 0 HD22 ASN A 10 -2.792 -4.697 -12.675 1.00 43.34 H new ATOM 179 N ASN A 11 -0.894 -8.593 -9.465 1.00 54.13 N ATOM 180 CA ASN A 11 -0.135 -9.832 -9.648 1.00 52.31 C ATOM 181 C ASN A 11 -0.098 -10.617 -8.329 1.00 4.04 C ATOM 182 O ASN A 11 0.471 -10.150 -7.333 1.00 23.31 O ATOM 183 CB ASN A 11 1.307 -9.506 -10.138 1.00 31.22 C ATOM 184 CG ASN A 11 1.350 -8.705 -11.451 1.00 34.40 C ATOM 185 OD1 ASN A 11 0.452 -7.920 -11.761 1.00 43.31 O ATOM 186 ND2 ASN A 11 2.403 -8.876 -12.231 1.00 4.50 N ATOM 0 H ASN A 11 -0.308 -7.800 -9.204 1.00 54.13 H new ATOM 0 HA ASN A 11 -0.623 -10.447 -10.404 1.00 52.31 H new ATOM 0 HB2 ASN A 11 1.826 -8.943 -9.362 1.00 31.22 H new ATOM 0 HB3 ASN A 11 1.854 -10.439 -10.274 1.00 31.22 H new ATOM 0 HD21 ASN A 11 2.481 -8.354 -13.104 1.00 4.50 H new ATOM 0 HD22 ASN A 11 3.138 -9.530 -11.960 1.00 4.50 H new ATOM 193 N ASP A 12 -0.713 -11.811 -8.342 1.00 44.30 N ATOM 194 CA ASP A 12 -0.779 -12.709 -7.174 1.00 1.25 C ATOM 195 C ASP A 12 0.622 -13.131 -6.709 1.00 71.31 C ATOM 196 O ASP A 12 0.905 -13.175 -5.505 1.00 12.14 O ATOM 197 CB ASP A 12 -1.623 -13.961 -7.520 1.00 45.44 C ATOM 198 CG ASP A 12 -1.632 -15.032 -6.402 1.00 14.31 C ATOM 199 OD1 ASP A 12 -2.421 -14.897 -5.439 1.00 3.25 O ATOM 200 OD2 ASP A 12 -0.860 -16.016 -6.488 1.00 2.52 O ATOM 0 H ASP A 12 -1.182 -12.184 -9.168 1.00 44.30 H new ATOM 0 HA ASP A 12 -1.252 -12.165 -6.357 1.00 1.25 H new ATOM 0 HB2 ASP A 12 -2.648 -13.652 -7.724 1.00 45.44 H new ATOM 0 HB3 ASP A 12 -1.236 -14.408 -8.436 1.00 45.44 H new ATOM 205 N GLU A 13 1.503 -13.416 -7.683 1.00 52.23 N ATOM 206 CA GLU A 13 2.875 -13.852 -7.405 1.00 51.11 C ATOM 207 C GLU A 13 3.685 -12.728 -6.729 1.00 13.44 C ATOM 208 O GLU A 13 4.566 -12.999 -5.924 1.00 74.24 O ATOM 209 CB GLU A 13 3.553 -14.356 -8.699 1.00 22.44 C ATOM 210 CG GLU A 13 2.879 -15.614 -9.287 1.00 44.20 C ATOM 211 CD GLU A 13 3.551 -16.125 -10.570 1.00 45.13 C ATOM 212 OE1 GLU A 13 4.510 -16.921 -10.477 1.00 43.42 O ATOM 213 OE2 GLU A 13 3.121 -15.726 -11.679 1.00 34.35 O ATOM 0 H GLU A 13 1.283 -13.350 -8.677 1.00 52.23 H new ATOM 0 HA GLU A 13 2.841 -14.686 -6.704 1.00 51.11 H new ATOM 0 HB2 GLU A 13 3.536 -13.561 -9.444 1.00 22.44 H new ATOM 0 HB3 GLU A 13 4.600 -14.576 -8.491 1.00 22.44 H new ATOM 0 HG2 GLU A 13 2.892 -16.407 -8.539 1.00 44.20 H new ATOM 0 HG3 GLU A 13 1.833 -15.391 -9.498 1.00 44.20 H new ATOM 220 N LEU A 14 3.351 -11.461 -7.030 1.00 35.02 N ATOM 221 CA LEU A 14 3.993 -10.304 -6.370 1.00 15.53 C ATOM 222 C LEU A 14 3.528 -10.146 -4.924 1.00 15.31 C ATOM 223 O LEU A 14 4.262 -9.594 -4.119 1.00 14.51 O ATOM 224 CB LEU A 14 3.798 -8.990 -7.178 1.00 22.33 C ATOM 225 CG LEU A 14 4.895 -8.716 -8.249 1.00 74.43 C ATOM 226 CD1 LEU A 14 6.258 -8.424 -7.577 1.00 61.21 C ATOM 227 CD2 LEU A 14 4.996 -9.880 -9.260 1.00 44.12 C ATOM 0 H LEU A 14 2.645 -11.210 -7.722 1.00 35.02 H new ATOM 0 HA LEU A 14 5.063 -10.510 -6.346 1.00 15.53 H new ATOM 0 HB2 LEU A 14 2.827 -9.024 -7.672 1.00 22.33 H new ATOM 0 HB3 LEU A 14 3.772 -8.152 -6.482 1.00 22.33 H new ATOM 0 HG LEU A 14 4.605 -7.828 -8.810 1.00 74.43 H new ATOM 0 HD11 LEU A 14 7.009 -8.236 -8.344 1.00 61.21 H new ATOM 0 HD12 LEU A 14 6.167 -7.548 -6.935 1.00 61.21 H new ATOM 0 HD13 LEU A 14 6.559 -9.283 -6.977 1.00 61.21 H new ATOM 0 HD21 LEU A 14 5.770 -9.658 -9.994 1.00 44.12 H new ATOM 0 HD22 LEU A 14 5.249 -10.799 -8.732 1.00 44.12 H new ATOM 0 HD23 LEU A 14 4.040 -10.005 -9.768 1.00 44.12 H new ATOM 239 N ILE A 15 2.315 -10.629 -4.599 1.00 61.12 N ATOM 240 CA ILE A 15 1.854 -10.671 -3.200 1.00 25.43 C ATOM 241 C ILE A 15 2.774 -11.610 -2.390 1.00 1.20 C ATOM 242 O ILE A 15 3.421 -11.162 -1.454 1.00 51.33 O ATOM 243 CB ILE A 15 0.349 -11.123 -3.065 1.00 1.51 C ATOM 244 CG1 ILE A 15 -0.579 -10.196 -3.916 1.00 34.22 C ATOM 245 CG2 ILE A 15 -0.101 -11.148 -1.579 1.00 74.50 C ATOM 246 CD1 ILE A 15 -2.051 -10.566 -3.895 1.00 10.41 C ATOM 0 H ILE A 15 1.644 -10.991 -5.277 1.00 61.12 H new ATOM 0 HA ILE A 15 1.907 -9.657 -2.803 1.00 25.43 H new ATOM 0 HB ILE A 15 0.266 -12.139 -3.450 1.00 1.51 H new ATOM 0 HG12 ILE A 15 -0.472 -9.172 -3.557 1.00 34.22 H new ATOM 0 HG13 ILE A 15 -0.231 -10.209 -4.949 1.00 34.22 H new ATOM 0 HG21 ILE A 15 -1.143 -11.463 -1.520 1.00 74.50 H new ATOM 0 HG22 ILE A 15 0.522 -11.847 -1.022 1.00 74.50 H new ATOM 0 HG23 ILE A 15 0.001 -10.151 -1.151 1.00 74.50 H new ATOM 0 HD11 ILE A 15 -2.611 -9.865 -4.514 1.00 10.41 H new ATOM 0 HD12 ILE A 15 -2.178 -11.576 -4.285 1.00 10.41 H new ATOM 0 HD13 ILE A 15 -2.422 -10.523 -2.871 1.00 10.41 H new ATOM 258 N LYS A 16 2.897 -12.890 -2.836 1.00 3.23 N ATOM 259 CA LYS A 16 3.678 -13.924 -2.108 1.00 72.21 C ATOM 260 C LYS A 16 5.182 -13.559 -2.003 1.00 3.33 C ATOM 261 O LYS A 16 5.845 -13.938 -1.031 1.00 25.21 O ATOM 262 CB LYS A 16 3.487 -15.333 -2.750 1.00 54.41 C ATOM 263 CG LYS A 16 4.020 -15.456 -4.191 1.00 44.42 C ATOM 264 CD LYS A 16 3.768 -16.833 -4.856 1.00 61.41 C ATOM 265 CE LYS A 16 4.495 -17.998 -4.161 1.00 32.30 C ATOM 266 NZ LYS A 16 4.382 -19.266 -4.948 1.00 12.10 N ATOM 0 H LYS A 16 2.465 -13.228 -3.696 1.00 3.23 H new ATOM 0 HA LYS A 16 3.286 -13.958 -1.092 1.00 72.21 H new ATOM 0 HB2 LYS A 16 3.988 -16.073 -2.126 1.00 54.41 H new ATOM 0 HB3 LYS A 16 2.425 -15.579 -2.747 1.00 54.41 H new ATOM 0 HG2 LYS A 16 3.558 -14.682 -4.803 1.00 44.42 H new ATOM 0 HG3 LYS A 16 5.092 -15.260 -4.186 1.00 44.42 H new ATOM 0 HD2 LYS A 16 2.697 -17.035 -4.859 1.00 61.41 H new ATOM 0 HD3 LYS A 16 4.086 -16.787 -5.897 1.00 61.41 H new ATOM 0 HE2 LYS A 16 5.547 -17.744 -4.028 1.00 32.30 H new ATOM 0 HE3 LYS A 16 4.075 -18.148 -3.166 1.00 32.30 H new ATOM 0 HZ1 LYS A 16 4.883 -20.029 -4.450 1.00 12.10 H new ATOM 0 HZ2 LYS A 16 3.379 -19.521 -5.053 1.00 12.10 H new ATOM 0 HZ3 LYS A 16 4.805 -19.130 -5.888 1.00 12.10 H new ATOM 280 N LYS A 17 5.701 -12.825 -3.015 1.00 3.35 N ATOM 281 CA LYS A 17 7.076 -12.275 -2.992 1.00 63.11 C ATOM 282 C LYS A 17 7.216 -11.168 -1.920 1.00 75.41 C ATOM 283 O LYS A 17 8.012 -11.309 -0.980 1.00 75.44 O ATOM 284 CB LYS A 17 7.455 -11.727 -4.397 1.00 4.11 C ATOM 285 CG LYS A 17 7.586 -12.820 -5.489 1.00 33.44 C ATOM 286 CD LYS A 17 7.712 -12.240 -6.916 1.00 23.33 C ATOM 287 CE LYS A 17 8.959 -11.369 -7.102 1.00 3.11 C ATOM 288 NZ LYS A 17 10.207 -12.136 -6.836 1.00 70.42 N ATOM 0 H LYS A 17 5.183 -12.599 -3.864 1.00 3.35 H new ATOM 0 HA LYS A 17 7.763 -13.080 -2.730 1.00 63.11 H new ATOM 0 HB2 LYS A 17 6.700 -11.005 -4.709 1.00 4.11 H new ATOM 0 HB3 LYS A 17 8.400 -11.188 -4.322 1.00 4.11 H new ATOM 0 HG2 LYS A 17 8.460 -13.436 -5.275 1.00 33.44 H new ATOM 0 HG3 LYS A 17 6.716 -13.475 -5.445 1.00 33.44 H new ATOM 0 HD2 LYS A 17 7.738 -13.060 -7.634 1.00 23.33 H new ATOM 0 HD3 LYS A 17 6.825 -11.647 -7.141 1.00 23.33 H new ATOM 0 HE2 LYS A 17 8.982 -10.977 -8.119 1.00 3.11 H new ATOM 0 HE3 LYS A 17 8.908 -10.511 -6.431 1.00 3.11 H new ATOM 0 HZ1 LYS A 17 11.031 -11.567 -7.116 1.00 70.42 H new ATOM 0 HZ2 LYS A 17 10.269 -12.358 -5.822 1.00 70.42 H new ATOM 0 HZ3 LYS A 17 10.195 -13.020 -7.384 1.00 70.42 H new ATOM 302 N ILE A 18 6.390 -10.101 -2.056 1.00 11.40 N ATOM 303 CA ILE A 18 6.433 -8.906 -1.175 1.00 74.00 C ATOM 304 C ILE A 18 6.192 -9.283 0.308 1.00 3.23 C ATOM 305 O ILE A 18 6.828 -8.705 1.200 1.00 73.31 O ATOM 306 CB ILE A 18 5.404 -7.800 -1.671 1.00 64.41 C ATOM 307 CG1 ILE A 18 5.874 -7.183 -3.035 1.00 24.12 C ATOM 308 CG2 ILE A 18 5.186 -6.687 -0.622 1.00 30.44 C ATOM 309 CD1 ILE A 18 4.895 -6.218 -3.694 1.00 71.32 C ATOM 0 H ILE A 18 5.674 -10.044 -2.780 1.00 11.40 H new ATOM 0 HA ILE A 18 7.435 -8.482 -1.238 1.00 74.00 H new ATOM 0 HB ILE A 18 4.445 -8.298 -1.816 1.00 64.41 H new ATOM 0 HG12 ILE A 18 6.817 -6.661 -2.871 1.00 24.12 H new ATOM 0 HG13 ILE A 18 6.077 -7.997 -3.731 1.00 24.12 H new ATOM 0 HG21 ILE A 18 4.475 -5.957 -1.009 1.00 30.44 H new ATOM 0 HG22 ILE A 18 4.794 -7.124 0.296 1.00 30.44 H new ATOM 0 HG23 ILE A 18 6.135 -6.194 -0.412 1.00 30.44 H new ATOM 0 HD11 ILE A 18 5.319 -5.851 -4.629 1.00 71.32 H new ATOM 0 HD12 ILE A 18 3.957 -6.734 -3.899 1.00 71.32 H new ATOM 0 HD13 ILE A 18 4.708 -5.377 -3.026 1.00 71.32 H new ATOM 321 N LYS A 19 5.319 -10.297 0.552 1.00 64.41 N ATOM 322 CA LYS A 19 5.029 -10.796 1.915 1.00 34.44 C ATOM 323 C LYS A 19 6.323 -11.252 2.615 1.00 32.53 C ATOM 324 O LYS A 19 6.551 -10.905 3.772 1.00 31.51 O ATOM 325 CB LYS A 19 3.980 -11.956 1.909 1.00 25.55 C ATOM 326 CG LYS A 19 2.552 -11.531 1.487 1.00 24.24 C ATOM 327 CD LYS A 19 1.465 -12.600 1.788 1.00 54.55 C ATOM 328 CE LYS A 19 1.682 -13.929 1.047 1.00 43.04 C ATOM 329 NZ LYS A 19 0.574 -14.896 1.314 1.00 54.23 N ATOM 0 H LYS A 19 4.805 -10.783 -0.183 1.00 64.41 H new ATOM 0 HA LYS A 19 4.596 -9.965 2.472 1.00 34.44 H new ATOM 0 HB2 LYS A 19 4.327 -12.738 1.234 1.00 25.55 H new ATOM 0 HB3 LYS A 19 3.935 -12.393 2.907 1.00 25.55 H new ATOM 0 HG2 LYS A 19 2.291 -10.606 2.002 1.00 24.24 H new ATOM 0 HG3 LYS A 19 2.548 -11.313 0.419 1.00 24.24 H new ATOM 0 HD2 LYS A 19 1.444 -12.792 2.861 1.00 54.55 H new ATOM 0 HD3 LYS A 19 0.489 -12.199 1.517 1.00 54.55 H new ATOM 0 HE2 LYS A 19 1.752 -13.741 -0.024 1.00 43.04 H new ATOM 0 HE3 LYS A 19 2.631 -14.368 1.356 1.00 43.04 H new ATOM 0 HZ1 LYS A 19 0.754 -15.781 0.798 1.00 54.23 H new ATOM 0 HZ2 LYS A 19 0.524 -15.094 2.334 1.00 54.23 H new ATOM 0 HZ3 LYS A 19 -0.328 -14.487 0.996 1.00 54.23 H new ATOM 343 N LYS A 20 7.182 -11.975 1.879 1.00 53.34 N ATOM 344 CA LYS A 20 8.449 -12.494 2.418 1.00 3.22 C ATOM 345 C LYS A 20 9.434 -11.342 2.690 1.00 43.01 C ATOM 346 O LYS A 20 9.995 -11.245 3.796 1.00 65.11 O ATOM 347 CB LYS A 20 9.075 -13.514 1.426 1.00 23.11 C ATOM 348 CG LYS A 20 8.202 -14.757 1.119 1.00 22.32 C ATOM 349 CD LYS A 20 7.856 -15.612 2.361 1.00 52.22 C ATOM 350 CE LYS A 20 9.097 -16.207 3.054 1.00 54.42 C ATOM 351 NZ LYS A 20 9.870 -17.138 2.185 1.00 72.43 N ATOM 0 H LYS A 20 7.020 -12.215 0.901 1.00 53.34 H new ATOM 0 HA LYS A 20 8.242 -13.000 3.361 1.00 3.22 H new ATOM 0 HB2 LYS A 20 9.290 -13.000 0.489 1.00 23.11 H new ATOM 0 HB3 LYS A 20 10.029 -13.851 1.831 1.00 23.11 H new ATOM 0 HG2 LYS A 20 7.275 -14.429 0.648 1.00 22.32 H new ATOM 0 HG3 LYS A 20 8.723 -15.383 0.395 1.00 22.32 H new ATOM 0 HD2 LYS A 20 7.308 -14.998 3.076 1.00 52.22 H new ATOM 0 HD3 LYS A 20 7.191 -16.423 2.062 1.00 52.22 H new ATOM 0 HE2 LYS A 20 9.749 -15.395 3.375 1.00 54.42 H new ATOM 0 HE3 LYS A 20 8.783 -16.737 3.953 1.00 54.42 H new ATOM 0 HZ1 LYS A 20 10.671 -17.529 2.721 1.00 72.43 H new ATOM 0 HZ2 LYS A 20 9.252 -17.914 1.871 1.00 72.43 H new ATOM 0 HZ3 LYS A 20 10.227 -16.623 1.355 1.00 72.43 H new ATOM 365 N GLU A 21 9.629 -10.496 1.655 1.00 3.05 N ATOM 366 CA GLU A 21 10.561 -9.342 1.694 1.00 44.00 C ATOM 367 C GLU A 21 10.370 -8.482 2.959 1.00 62.22 C ATOM 368 O GLU A 21 11.299 -8.303 3.755 1.00 62.50 O ATOM 369 CB GLU A 21 10.368 -8.435 0.441 1.00 35.12 C ATOM 370 CG GLU A 21 10.381 -9.165 -0.918 1.00 4.31 C ATOM 371 CD GLU A 21 11.576 -10.115 -1.113 1.00 24.14 C ATOM 372 OE1 GLU A 21 12.701 -9.629 -1.370 1.00 74.05 O ATOM 373 OE2 GLU A 21 11.394 -11.353 -1.021 1.00 35.11 O ATOM 0 H GLU A 21 9.143 -10.593 0.763 1.00 3.05 H new ATOM 0 HA GLU A 21 11.568 -9.758 1.705 1.00 44.00 H new ATOM 0 HB2 GLU A 21 9.420 -7.906 0.540 1.00 35.12 H new ATOM 0 HB3 GLU A 21 11.155 -7.681 0.436 1.00 35.12 H new ATOM 0 HG2 GLU A 21 9.458 -9.735 -1.020 1.00 4.31 H new ATOM 0 HG3 GLU A 21 10.387 -8.423 -1.716 1.00 4.31 H new ATOM 380 N VAL A 22 9.123 -8.035 3.162 1.00 74.44 N ATOM 381 CA VAL A 22 8.800 -6.987 4.141 1.00 0.12 C ATOM 382 C VAL A 22 8.613 -7.553 5.559 1.00 33.13 C ATOM 383 O VAL A 22 8.832 -6.840 6.543 1.00 33.35 O ATOM 384 CB VAL A 22 7.543 -6.182 3.681 1.00 4.43 C ATOM 385 CG1 VAL A 22 7.739 -5.671 2.235 1.00 41.22 C ATOM 386 CG2 VAL A 22 6.240 -7.003 3.813 1.00 2.40 C ATOM 0 H VAL A 22 8.312 -8.388 2.654 1.00 74.44 H new ATOM 0 HA VAL A 22 9.650 -6.307 4.187 1.00 0.12 H new ATOM 0 HB VAL A 22 7.437 -5.325 4.346 1.00 4.43 H new ATOM 0 HG11 VAL A 22 6.857 -5.111 1.924 1.00 41.22 H new ATOM 0 HG12 VAL A 22 8.614 -5.022 2.194 1.00 41.22 H new ATOM 0 HG13 VAL A 22 7.885 -6.519 1.566 1.00 41.22 H new ATOM 0 HG21 VAL A 22 5.395 -6.400 3.481 1.00 2.40 H new ATOM 0 HG22 VAL A 22 6.311 -7.899 3.197 1.00 2.40 H new ATOM 0 HG23 VAL A 22 6.094 -7.289 4.855 1.00 2.40 H new ATOM 396 N GLU A 23 8.228 -8.845 5.649 1.00 24.15 N ATOM 397 CA GLU A 23 8.125 -9.564 6.938 1.00 4.34 C ATOM 398 C GLU A 23 9.537 -9.678 7.551 1.00 24.32 C ATOM 399 O GLU A 23 9.714 -9.545 8.764 1.00 21.41 O ATOM 400 CB GLU A 23 7.481 -10.965 6.697 1.00 40.44 C ATOM 401 CG GLU A 23 6.813 -11.663 7.913 1.00 20.42 C ATOM 402 CD GLU A 23 7.793 -12.255 8.938 1.00 13.13 C ATOM 403 OE1 GLU A 23 8.438 -13.281 8.632 1.00 14.13 O ATOM 404 OE2 GLU A 23 7.927 -11.700 10.053 1.00 44.31 O ATOM 0 H GLU A 23 7.982 -9.414 4.839 1.00 24.15 H new ATOM 0 HA GLU A 23 7.488 -9.023 7.638 1.00 4.34 H new ATOM 0 HB2 GLU A 23 6.730 -10.860 5.914 1.00 40.44 H new ATOM 0 HB3 GLU A 23 8.254 -11.629 6.310 1.00 40.44 H new ATOM 0 HG2 GLU A 23 6.171 -10.942 8.420 1.00 20.42 H new ATOM 0 HG3 GLU A 23 6.168 -12.461 7.546 1.00 20.42 H new ATOM 411 N ASN A 24 10.534 -9.870 6.665 1.00 11.21 N ATOM 412 CA ASN A 24 11.957 -9.928 7.036 1.00 22.25 C ATOM 413 C ASN A 24 12.482 -8.539 7.466 1.00 12.34 C ATOM 414 O ASN A 24 13.414 -8.452 8.265 1.00 12.54 O ATOM 415 CB ASN A 24 12.788 -10.491 5.850 1.00 24.00 C ATOM 416 CG ASN A 24 14.282 -10.648 6.169 1.00 14.43 C ATOM 417 OD1 ASN A 24 15.088 -9.750 5.920 1.00 31.42 O ATOM 418 ND2 ASN A 24 14.649 -11.768 6.762 1.00 53.44 N ATOM 0 H ASN A 24 10.371 -9.990 5.665 1.00 11.21 H new ATOM 0 HA ASN A 24 12.064 -10.595 7.891 1.00 22.25 H new ATOM 0 HB2 ASN A 24 12.383 -11.460 5.560 1.00 24.00 H new ATOM 0 HB3 ASN A 24 12.676 -9.829 4.991 1.00 24.00 H new ATOM 0 HD21 ASN A 24 15.624 -11.909 7.028 1.00 53.44 H new ATOM 0 HD22 ASN A 24 13.958 -12.493 6.955 1.00 53.44 H new ATOM 425 N GLN A 25 11.867 -7.458 6.933 1.00 3.32 N ATOM 426 CA GLN A 25 12.263 -6.062 7.252 1.00 75.03 C ATOM 427 C GLN A 25 11.576 -5.543 8.539 1.00 43.43 C ATOM 428 O GLN A 25 11.811 -4.400 8.940 1.00 65.11 O ATOM 429 CB GLN A 25 11.935 -5.101 6.071 1.00 52.43 C ATOM 430 CG GLN A 25 12.496 -5.503 4.692 1.00 1.31 C ATOM 431 CD GLN A 25 14.002 -5.750 4.674 1.00 44.02 C ATOM 432 OE1 GLN A 25 14.798 -4.828 4.486 1.00 23.10 O ATOM 433 NE2 GLN A 25 14.400 -7.004 4.833 1.00 52.03 N ATOM 0 H GLN A 25 11.090 -7.525 6.276 1.00 3.32 H new ATOM 0 HA GLN A 25 13.340 -6.077 7.418 1.00 75.03 H new ATOM 0 HB2 GLN A 25 10.851 -5.016 5.989 1.00 52.43 H new ATOM 0 HB3 GLN A 25 12.314 -4.110 6.320 1.00 52.43 H new ATOM 0 HG2 GLN A 25 11.987 -6.406 4.355 1.00 1.31 H new ATOM 0 HG3 GLN A 25 12.260 -4.718 3.974 1.00 1.31 H new ATOM 0 HE21 GLN A 25 13.713 -7.742 4.987 1.00 52.03 H new ATOM 0 HE22 GLN A 25 15.394 -7.232 4.802 1.00 52.03 H new ATOM 442 N GLY A 26 10.734 -6.383 9.187 1.00 32.44 N ATOM 443 CA GLY A 26 10.034 -5.988 10.428 1.00 32.51 C ATOM 444 C GLY A 26 8.663 -5.349 10.212 1.00 5.41 C ATOM 445 O GLY A 26 8.011 -4.956 11.186 1.00 31.40 O ATOM 0 H GLY A 26 10.526 -7.331 8.872 1.00 32.44 H new ATOM 0 HA2 GLY A 26 9.914 -6.870 11.057 1.00 32.51 H new ATOM 0 HA3 GLY A 26 10.664 -5.288 10.977 1.00 32.51 H new ATOM 449 N TYR A 27 8.213 -5.253 8.949 1.00 63.21 N ATOM 450 CA TYR A 27 6.915 -4.633 8.600 1.00 54.14 C ATOM 451 C TYR A 27 5.819 -5.709 8.570 1.00 63.11 C ATOM 452 O TYR A 27 5.954 -6.729 7.880 1.00 31.31 O ATOM 453 CB TYR A 27 7.007 -3.869 7.247 1.00 72.33 C ATOM 454 CG TYR A 27 7.882 -2.604 7.331 1.00 32.22 C ATOM 455 CD1 TYR A 27 9.275 -2.691 7.309 1.00 11.11 C ATOM 456 CD2 TYR A 27 7.315 -1.330 7.474 1.00 55.32 C ATOM 457 CE1 TYR A 27 10.069 -1.561 7.416 1.00 64.10 C ATOM 458 CE2 TYR A 27 8.109 -0.197 7.587 1.00 32.33 C ATOM 459 CZ TYR A 27 9.485 -0.318 7.559 1.00 44.44 C ATOM 460 OH TYR A 27 10.277 0.810 7.683 1.00 3.35 O ATOM 0 H TYR A 27 8.733 -5.600 8.143 1.00 63.21 H new ATOM 0 HA TYR A 27 6.655 -3.899 9.363 1.00 54.14 H new ATOM 0 HB2 TYR A 27 7.413 -4.536 6.486 1.00 72.33 H new ATOM 0 HB3 TYR A 27 6.004 -3.590 6.924 1.00 72.33 H new ATOM 0 HD1 TYR A 27 9.743 -3.659 7.206 1.00 11.11 H new ATOM 0 HD2 TYR A 27 6.240 -1.228 7.497 1.00 55.32 H new ATOM 0 HE1 TYR A 27 11.145 -1.652 7.388 1.00 64.10 H new ATOM 0 HE2 TYR A 27 7.653 0.776 7.696 1.00 32.33 H new ATOM 0 HH TYR A 27 10.773 0.955 6.850 1.00 3.35 H new ATOM 470 N GLN A 28 4.733 -5.460 9.330 1.00 3.31 N ATOM 471 CA GLN A 28 3.678 -6.454 9.590 1.00 43.44 C ATOM 472 C GLN A 28 2.763 -6.622 8.372 1.00 11.42 C ATOM 473 O GLN A 28 2.014 -5.704 8.019 1.00 72.24 O ATOM 474 CB GLN A 28 2.847 -6.048 10.840 1.00 70.32 C ATOM 475 CG GLN A 28 3.676 -5.767 12.108 1.00 52.24 C ATOM 476 CD GLN A 28 4.622 -6.907 12.488 1.00 64.52 C ATOM 477 OE1 GLN A 28 4.239 -7.849 13.182 1.00 4.30 O ATOM 478 NE2 GLN A 28 5.875 -6.813 12.063 1.00 62.32 N ATOM 0 H GLN A 28 4.565 -4.561 9.781 1.00 3.31 H new ATOM 0 HA GLN A 28 4.159 -7.413 9.784 1.00 43.44 H new ATOM 0 HB2 GLN A 28 2.267 -5.158 10.599 1.00 70.32 H new ATOM 0 HB3 GLN A 28 2.135 -6.843 11.058 1.00 70.32 H new ATOM 0 HG2 GLN A 28 4.259 -4.858 11.957 1.00 52.24 H new ATOM 0 HG3 GLN A 28 2.998 -5.576 12.940 1.00 52.24 H new ATOM 0 HE21 GLN A 28 6.161 -6.020 11.489 1.00 62.32 H new ATOM 0 HE22 GLN A 28 6.553 -7.534 12.310 1.00 62.32 H new ATOM 487 N VAL A 29 2.841 -7.810 7.752 1.00 55.23 N ATOM 488 CA VAL A 29 2.078 -8.148 6.540 1.00 34.12 C ATOM 489 C VAL A 29 0.582 -8.350 6.860 1.00 63.51 C ATOM 490 O VAL A 29 0.210 -9.216 7.660 1.00 45.14 O ATOM 491 CB VAL A 29 2.621 -9.451 5.844 1.00 4.24 C ATOM 492 CG1 VAL A 29 1.871 -9.723 4.522 1.00 32.45 C ATOM 493 CG2 VAL A 29 4.142 -9.373 5.614 1.00 63.12 C ATOM 0 H VAL A 29 3.439 -8.568 8.080 1.00 55.23 H new ATOM 0 HA VAL A 29 2.200 -7.305 5.860 1.00 34.12 H new ATOM 0 HB VAL A 29 2.434 -10.289 6.516 1.00 4.24 H new ATOM 0 HG11 VAL A 29 2.264 -10.629 4.060 1.00 32.45 H new ATOM 0 HG12 VAL A 29 0.808 -9.852 4.727 1.00 32.45 H new ATOM 0 HG13 VAL A 29 2.010 -8.880 3.845 1.00 32.45 H new ATOM 0 HG21 VAL A 29 4.484 -10.289 5.132 1.00 63.12 H new ATOM 0 HG22 VAL A 29 4.370 -8.519 4.976 1.00 63.12 H new ATOM 0 HG23 VAL A 29 4.649 -9.256 6.572 1.00 63.12 H new ATOM 503 N ARG A 30 -0.255 -7.526 6.233 1.00 44.12 N ATOM 504 CA ARG A 30 -1.717 -7.671 6.227 1.00 2.42 C ATOM 505 C ARG A 30 -2.182 -7.831 4.779 1.00 55.24 C ATOM 506 O ARG A 30 -1.571 -7.270 3.870 1.00 43.24 O ATOM 507 CB ARG A 30 -2.381 -6.422 6.874 1.00 21.02 C ATOM 508 CG ARG A 30 -2.129 -6.270 8.388 1.00 32.45 C ATOM 509 CD ARG A 30 -2.889 -7.316 9.216 1.00 41.21 C ATOM 510 NE ARG A 30 -4.349 -7.202 9.023 1.00 12.32 N ATOM 511 CZ ARG A 30 -5.260 -8.106 9.417 1.00 64.14 C ATOM 512 NH1 ARG A 30 -4.901 -9.230 10.047 1.00 63.20 N ATOM 513 NH2 ARG A 30 -6.548 -7.868 9.196 1.00 24.42 N ATOM 0 H ARG A 30 0.068 -6.718 5.701 1.00 44.12 H new ATOM 0 HA ARG A 30 -2.007 -8.547 6.806 1.00 2.42 H new ATOM 0 HB2 ARG A 30 -2.015 -5.529 6.367 1.00 21.02 H new ATOM 0 HB3 ARG A 30 -3.456 -6.468 6.701 1.00 21.02 H new ATOM 0 HG2 ARG A 30 -1.061 -6.360 8.587 1.00 32.45 H new ATOM 0 HG3 ARG A 30 -2.429 -5.271 8.705 1.00 32.45 H new ATOM 0 HD2 ARG A 30 -2.560 -8.316 8.932 1.00 41.21 H new ATOM 0 HD3 ARG A 30 -2.649 -7.190 10.272 1.00 41.21 H new ATOM 0 HE ARG A 30 -4.694 -6.366 8.551 1.00 12.32 H new ATOM 0 HH11 ARG A 30 -3.916 -9.415 10.238 1.00 63.20 H new ATOM 0 HH12 ARG A 30 -5.612 -9.902 10.337 1.00 63.20 H new ATOM 0 HH21 ARG A 30 -6.835 -7.006 8.732 1.00 24.42 H new ATOM 0 HH22 ARG A 30 -7.250 -8.547 9.491 1.00 24.42 H new ATOM 527 N ASP A 31 -3.236 -8.622 4.567 1.00 62.13 N ATOM 528 CA ASP A 31 -3.865 -8.798 3.245 1.00 62.14 C ATOM 529 C ASP A 31 -5.373 -8.572 3.391 1.00 23.34 C ATOM 530 O ASP A 31 -6.034 -9.302 4.135 1.00 60.31 O ATOM 531 CB ASP A 31 -3.568 -10.227 2.705 1.00 74.12 C ATOM 532 CG ASP A 31 -4.209 -10.514 1.325 1.00 3.52 C ATOM 533 OD1 ASP A 31 -5.394 -10.939 1.274 1.00 1.30 O ATOM 534 OD2 ASP A 31 -3.525 -10.337 0.289 1.00 53.22 O ATOM 0 H ASP A 31 -3.683 -9.163 5.307 1.00 62.13 H new ATOM 0 HA ASP A 31 -3.460 -8.079 2.533 1.00 62.14 H new ATOM 0 HB2 ASP A 31 -2.489 -10.361 2.630 1.00 74.12 H new ATOM 0 HB3 ASP A 31 -3.931 -10.961 3.425 1.00 74.12 H new ATOM 539 N VAL A 32 -5.909 -7.561 2.686 1.00 53.41 N ATOM 540 CA VAL A 32 -7.336 -7.199 2.759 1.00 23.21 C ATOM 541 C VAL A 32 -7.987 -7.501 1.413 1.00 0.10 C ATOM 542 O VAL A 32 -7.653 -6.870 0.402 1.00 24.45 O ATOM 543 CB VAL A 32 -7.538 -5.675 3.105 1.00 1.24 C ATOM 544 CG1 VAL A 32 -9.037 -5.314 3.244 1.00 43.42 C ATOM 545 CG2 VAL A 32 -6.750 -5.285 4.373 1.00 52.52 C ATOM 0 H VAL A 32 -5.368 -6.973 2.052 1.00 53.41 H new ATOM 0 HA VAL A 32 -7.797 -7.784 3.555 1.00 23.21 H new ATOM 0 HB VAL A 32 -7.141 -5.095 2.271 1.00 1.24 H new ATOM 0 HG11 VAL A 32 -9.136 -4.255 3.483 1.00 43.42 H new ATOM 0 HG12 VAL A 32 -9.550 -5.524 2.306 1.00 43.42 H new ATOM 0 HG13 VAL A 32 -9.482 -5.909 4.042 1.00 43.42 H new ATOM 0 HG21 VAL A 32 -6.907 -4.228 4.589 1.00 52.52 H new ATOM 0 HG22 VAL A 32 -7.097 -5.883 5.216 1.00 52.52 H new ATOM 0 HG23 VAL A 32 -5.688 -5.468 4.212 1.00 52.52 H new ATOM 555 N ASN A 33 -8.925 -8.456 1.413 1.00 63.32 N ATOM 556 CA ASN A 33 -9.678 -8.864 0.211 1.00 62.54 C ATOM 557 C ASN A 33 -11.199 -8.816 0.468 1.00 11.43 C ATOM 558 O ASN A 33 -11.989 -9.313 -0.347 1.00 25.51 O ATOM 559 CB ASN A 33 -9.219 -10.282 -0.230 1.00 1.11 C ATOM 560 CG ASN A 33 -9.394 -11.356 0.854 1.00 24.14 C ATOM 561 OD1 ASN A 33 -10.431 -12.020 0.931 1.00 51.11 O ATOM 562 ND2 ASN A 33 -8.395 -11.519 1.710 1.00 21.41 N ATOM 0 H ASN A 33 -9.188 -8.974 2.251 1.00 63.32 H new ATOM 0 HA ASN A 33 -9.469 -8.163 -0.597 1.00 62.54 H new ATOM 0 HB2 ASN A 33 -9.783 -10.577 -1.115 1.00 1.11 H new ATOM 0 HB3 ASN A 33 -8.169 -10.240 -0.520 1.00 1.11 H new ATOM 0 HD21 ASN A 33 -8.472 -12.208 2.458 1.00 21.41 H new ATOM 0 HD22 ASN A 33 -7.550 -10.955 1.621 1.00 21.41 H new ATOM 569 N ASP A 34 -11.597 -8.177 1.585 1.00 64.02 N ATOM 570 CA ASP A 34 -13.014 -8.054 1.995 1.00 73.40 C ATOM 571 C ASP A 34 -13.251 -6.737 2.761 1.00 41.42 C ATOM 572 O ASP A 34 -12.377 -6.273 3.504 1.00 71.22 O ATOM 573 CB ASP A 34 -13.415 -9.283 2.854 1.00 23.10 C ATOM 574 CG ASP A 34 -14.794 -9.154 3.523 1.00 14.24 C ATOM 575 OD1 ASP A 34 -15.826 -9.247 2.827 1.00 10.55 O ATOM 576 OD2 ASP A 34 -14.851 -8.936 4.747 1.00 3.12 O ATOM 0 H ASP A 34 -10.946 -7.730 2.231 1.00 64.02 H new ATOM 0 HA ASP A 34 -13.642 -8.030 1.104 1.00 73.40 H new ATOM 0 HB2 ASP A 34 -13.410 -10.172 2.223 1.00 23.10 H new ATOM 0 HB3 ASP A 34 -12.661 -9.436 3.626 1.00 23.10 H new ATOM 581 N SER A 35 -14.448 -6.146 2.552 1.00 33.20 N ATOM 582 CA SER A 35 -14.858 -4.867 3.155 1.00 13.40 C ATOM 583 C SER A 35 -14.921 -4.917 4.695 1.00 34.33 C ATOM 584 O SER A 35 -14.511 -3.969 5.356 1.00 51.41 O ATOM 585 CB SER A 35 -16.227 -4.439 2.579 1.00 62.24 C ATOM 586 OG SER A 35 -16.205 -4.398 1.154 1.00 60.34 O ATOM 0 H SER A 35 -15.164 -6.553 1.950 1.00 33.20 H new ATOM 0 HA SER A 35 -14.095 -4.132 2.900 1.00 13.40 H new ATOM 0 HB2 SER A 35 -16.997 -5.135 2.912 1.00 62.24 H new ATOM 0 HB3 SER A 35 -16.496 -3.457 2.968 1.00 62.24 H new ATOM 0 HG SER A 35 -17.086 -4.126 0.821 1.00 60.34 H new ATOM 592 N ASP A 36 -15.456 -6.020 5.260 1.00 30.12 N ATOM 593 CA ASP A 36 -15.567 -6.187 6.733 1.00 72.04 C ATOM 594 C ASP A 36 -14.188 -6.316 7.382 1.00 74.15 C ATOM 595 O ASP A 36 -13.996 -5.856 8.510 1.00 51.53 O ATOM 596 CB ASP A 36 -16.478 -7.392 7.118 1.00 43.23 C ATOM 597 CG ASP A 36 -17.979 -7.052 7.049 1.00 35.35 C ATOM 598 OD1 ASP A 36 -18.474 -6.709 5.956 1.00 10.15 O ATOM 599 OD2 ASP A 36 -18.657 -7.086 8.102 1.00 73.33 O ATOM 0 H ASP A 36 -15.818 -6.809 4.724 1.00 30.12 H new ATOM 0 HA ASP A 36 -16.041 -5.285 7.120 1.00 72.04 H new ATOM 0 HB2 ASP A 36 -16.268 -8.228 6.450 1.00 43.23 H new ATOM 0 HB3 ASP A 36 -16.231 -7.721 8.127 1.00 43.23 H new ATOM 604 N GLU A 37 -13.233 -6.933 6.660 1.00 11.25 N ATOM 605 CA GLU A 37 -11.830 -7.018 7.111 1.00 44.21 C ATOM 606 C GLU A 37 -11.235 -5.600 7.195 1.00 41.12 C ATOM 607 O GLU A 37 -10.637 -5.226 8.215 1.00 25.45 O ATOM 608 CB GLU A 37 -10.998 -7.908 6.148 1.00 14.50 C ATOM 609 CG GLU A 37 -11.460 -9.375 6.070 1.00 51.21 C ATOM 610 CD GLU A 37 -11.397 -10.116 7.424 1.00 44.21 C ATOM 611 OE1 GLU A 37 -10.292 -10.549 7.828 1.00 3.14 O ATOM 612 OE2 GLU A 37 -12.450 -10.271 8.087 1.00 32.34 O ATOM 0 H GLU A 37 -13.408 -7.381 5.760 1.00 11.25 H new ATOM 0 HA GLU A 37 -11.798 -7.478 8.099 1.00 44.21 H new ATOM 0 HB2 GLU A 37 -11.038 -7.475 5.149 1.00 14.50 H new ATOM 0 HB3 GLU A 37 -9.955 -7.886 6.464 1.00 14.50 H new ATOM 0 HG2 GLU A 37 -12.483 -9.405 5.696 1.00 51.21 H new ATOM 0 HG3 GLU A 37 -10.840 -9.904 5.346 1.00 51.21 H new ATOM 619 N LEU A 38 -11.499 -4.807 6.135 1.00 31.32 N ATOM 620 CA LEU A 38 -11.071 -3.401 6.022 1.00 15.14 C ATOM 621 C LEU A 38 -11.595 -2.571 7.203 1.00 31.21 C ATOM 622 O LEU A 38 -10.800 -2.051 7.988 1.00 5.14 O ATOM 623 CB LEU A 38 -11.565 -2.839 4.653 1.00 63.25 C ATOM 624 CG LEU A 38 -11.325 -1.309 4.339 1.00 24.14 C ATOM 625 CD1 LEU A 38 -11.028 -1.098 2.852 1.00 35.41 C ATOM 626 CD2 LEU A 38 -12.536 -0.421 4.737 1.00 2.23 C ATOM 0 H LEU A 38 -12.023 -5.133 5.323 1.00 31.32 H new ATOM 0 HA LEU A 38 -9.983 -3.340 6.058 1.00 15.14 H new ATOM 0 HB2 LEU A 38 -11.087 -3.419 3.864 1.00 63.25 H new ATOM 0 HB3 LEU A 38 -12.636 -3.028 4.583 1.00 63.25 H new ATOM 0 HG LEU A 38 -10.467 -1.008 4.940 1.00 24.14 H new ATOM 0 HD11 LEU A 38 -10.866 -0.037 2.660 1.00 35.41 H new ATOM 0 HD12 LEU A 38 -10.134 -1.657 2.577 1.00 35.41 H new ATOM 0 HD13 LEU A 38 -11.872 -1.449 2.259 1.00 35.41 H new ATOM 0 HD21 LEU A 38 -12.317 0.620 4.500 1.00 2.23 H new ATOM 0 HD22 LEU A 38 -13.419 -0.741 4.185 1.00 2.23 H new ATOM 0 HD23 LEU A 38 -12.722 -0.518 5.807 1.00 2.23 H new ATOM 638 N LYS A 39 -12.940 -2.528 7.342 1.00 53.21 N ATOM 639 CA LYS A 39 -13.642 -1.711 8.349 1.00 11.35 C ATOM 640 C LYS A 39 -13.166 -2.031 9.779 1.00 2.31 C ATOM 641 O LYS A 39 -12.989 -1.119 10.588 1.00 40.25 O ATOM 642 CB LYS A 39 -15.181 -1.915 8.216 1.00 21.34 C ATOM 643 CG LYS A 39 -15.795 -1.318 6.919 1.00 35.23 C ATOM 644 CD LYS A 39 -17.305 -1.654 6.746 1.00 72.31 C ATOM 645 CE LYS A 39 -17.558 -3.163 6.560 1.00 53.35 C ATOM 646 NZ LYS A 39 -19.003 -3.507 6.404 1.00 13.22 N ATOM 0 H LYS A 39 -13.572 -3.067 6.750 1.00 53.21 H new ATOM 0 HA LYS A 39 -13.404 -0.664 8.161 1.00 11.35 H new ATOM 0 HB2 LYS A 39 -15.399 -2.983 8.249 1.00 21.34 H new ATOM 0 HB3 LYS A 39 -15.672 -1.463 9.078 1.00 21.34 H new ATOM 0 HG2 LYS A 39 -15.669 -0.235 6.930 1.00 35.23 H new ATOM 0 HG3 LYS A 39 -15.244 -1.695 6.057 1.00 35.23 H new ATOM 0 HD2 LYS A 39 -17.854 -1.302 7.619 1.00 72.31 H new ATOM 0 HD3 LYS A 39 -17.697 -1.114 5.884 1.00 72.31 H new ATOM 0 HE2 LYS A 39 -17.013 -3.510 5.682 1.00 53.35 H new ATOM 0 HE3 LYS A 39 -17.155 -3.700 7.419 1.00 53.35 H new ATOM 0 HZ1 LYS A 39 -19.100 -4.528 6.232 1.00 13.22 H new ATOM 0 HZ2 LYS A 39 -19.516 -3.251 7.272 1.00 13.22 H new ATOM 0 HZ3 LYS A 39 -19.400 -2.981 5.599 1.00 13.22 H new ATOM 660 N LYS A 40 -12.922 -3.330 10.050 1.00 5.42 N ATOM 661 CA LYS A 40 -12.428 -3.799 11.359 1.00 74.03 C ATOM 662 C LYS A 40 -11.034 -3.231 11.668 1.00 63.24 C ATOM 663 O LYS A 40 -10.833 -2.620 12.729 1.00 73.11 O ATOM 664 CB LYS A 40 -12.409 -5.359 11.444 1.00 31.11 C ATOM 665 CG LYS A 40 -13.786 -6.005 11.739 1.00 4.31 C ATOM 666 CD LYS A 40 -13.680 -7.503 12.122 1.00 42.54 C ATOM 667 CE LYS A 40 -13.093 -8.382 11.000 1.00 32.22 C ATOM 668 NZ LYS A 40 -13.987 -8.448 9.818 1.00 3.55 N ATOM 0 H LYS A 40 -13.061 -4.078 9.371 1.00 5.42 H new ATOM 0 HA LYS A 40 -13.124 -3.429 12.111 1.00 74.03 H new ATOM 0 HB2 LYS A 40 -12.030 -5.757 10.503 1.00 31.11 H new ATOM 0 HB3 LYS A 40 -11.707 -5.659 12.222 1.00 31.11 H new ATOM 0 HG2 LYS A 40 -14.270 -5.461 12.550 1.00 4.31 H new ATOM 0 HG3 LYS A 40 -14.425 -5.904 10.861 1.00 4.31 H new ATOM 0 HD2 LYS A 40 -13.058 -7.600 13.012 1.00 42.54 H new ATOM 0 HD3 LYS A 40 -14.671 -7.874 12.384 1.00 42.54 H new ATOM 0 HE2 LYS A 40 -12.123 -7.985 10.699 1.00 32.22 H new ATOM 0 HE3 LYS A 40 -12.921 -9.389 11.381 1.00 32.22 H new ATOM 0 HZ1 LYS A 40 -13.504 -8.949 9.045 1.00 3.55 H new ATOM 0 HZ2 LYS A 40 -14.858 -8.957 10.070 1.00 3.55 H new ATOM 0 HZ3 LYS A 40 -14.226 -7.484 9.509 1.00 3.55 H new ATOM 682 N GLU A 41 -10.084 -3.389 10.728 1.00 32.51 N ATOM 683 CA GLU A 41 -8.675 -3.049 10.997 1.00 4.22 C ATOM 684 C GLU A 41 -8.423 -1.529 10.885 1.00 71.41 C ATOM 685 O GLU A 41 -7.422 -1.038 11.418 1.00 54.10 O ATOM 686 CB GLU A 41 -7.717 -3.900 10.125 1.00 72.20 C ATOM 687 CG GLU A 41 -7.770 -3.658 8.609 1.00 73.03 C ATOM 688 CD GLU A 41 -7.078 -4.789 7.838 1.00 5.34 C ATOM 689 OE1 GLU A 41 -5.841 -4.735 7.650 1.00 23.55 O ATOM 690 OE2 GLU A 41 -7.764 -5.773 7.478 1.00 4.14 O ATOM 0 H GLU A 41 -10.262 -3.745 9.789 1.00 32.51 H new ATOM 0 HA GLU A 41 -8.454 -3.308 12.033 1.00 4.22 H new ATOM 0 HB2 GLU A 41 -6.697 -3.719 10.464 1.00 72.20 H new ATOM 0 HB3 GLU A 41 -7.932 -4.952 10.310 1.00 72.20 H new ATOM 0 HG2 GLU A 41 -8.809 -3.579 8.288 1.00 73.03 H new ATOM 0 HG3 GLU A 41 -7.290 -2.708 8.373 1.00 73.03 H new ATOM 697 N MET A 42 -9.351 -0.791 10.219 1.00 22.43 N ATOM 698 CA MET A 42 -9.350 0.694 10.215 1.00 2.31 C ATOM 699 C MET A 42 -9.676 1.222 11.621 1.00 54.53 C ATOM 700 O MET A 42 -9.042 2.173 12.104 1.00 42.22 O ATOM 701 CB MET A 42 -10.374 1.263 9.194 1.00 22.13 C ATOM 702 CG MET A 42 -10.083 0.974 7.712 1.00 50.35 C ATOM 703 SD MET A 42 -8.613 1.810 7.068 1.00 42.15 S ATOM 704 CE MET A 42 -7.315 0.624 7.405 1.00 32.25 C ATOM 0 H MET A 42 -10.110 -1.203 9.677 1.00 22.43 H new ATOM 0 HA MET A 42 -8.355 1.025 9.918 1.00 2.31 H new ATOM 0 HB2 MET A 42 -11.358 0.861 9.435 1.00 22.13 H new ATOM 0 HB3 MET A 42 -10.429 2.343 9.329 1.00 22.13 H new ATOM 0 HG2 MET A 42 -9.963 -0.101 7.580 1.00 50.35 H new ATOM 0 HG3 MET A 42 -10.947 1.274 7.119 1.00 50.35 H new ATOM 0 HE1 MET A 42 -6.425 0.886 6.833 1.00 32.25 H new ATOM 0 HE2 MET A 42 -7.079 0.636 8.469 1.00 32.25 H new ATOM 0 HE3 MET A 42 -7.650 -0.373 7.119 1.00 32.25 H new ATOM 714 N LYS A 43 -10.678 0.580 12.265 1.00 3.31 N ATOM 715 CA LYS A 43 -11.073 0.895 13.650 1.00 4.04 C ATOM 716 C LYS A 43 -9.900 0.633 14.606 1.00 35.21 C ATOM 717 O LYS A 43 -9.587 1.473 15.455 1.00 23.23 O ATOM 718 CB LYS A 43 -12.313 0.065 14.077 1.00 41.53 C ATOM 719 CG LYS A 43 -13.600 0.354 13.278 1.00 71.13 C ATOM 720 CD LYS A 43 -14.155 1.777 13.508 1.00 33.44 C ATOM 721 CE LYS A 43 -15.360 2.080 12.600 1.00 3.01 C ATOM 722 NZ LYS A 43 -16.453 1.077 12.767 1.00 32.14 N ATOM 0 H LYS A 43 -11.230 -0.165 11.839 1.00 3.31 H new ATOM 0 HA LYS A 43 -11.340 1.951 13.698 1.00 4.04 H new ATOM 0 HB2 LYS A 43 -12.073 -0.994 13.979 1.00 41.53 H new ATOM 0 HB3 LYS A 43 -12.510 0.251 15.133 1.00 41.53 H new ATOM 0 HG2 LYS A 43 -13.398 0.217 12.216 1.00 71.13 H new ATOM 0 HG3 LYS A 43 -14.362 -0.375 13.554 1.00 71.13 H new ATOM 0 HD2 LYS A 43 -14.451 1.886 14.551 1.00 33.44 H new ATOM 0 HD3 LYS A 43 -13.368 2.508 13.322 1.00 33.44 H new ATOM 0 HE2 LYS A 43 -15.743 3.075 12.827 1.00 3.01 H new ATOM 0 HE3 LYS A 43 -15.036 2.093 11.559 1.00 3.01 H new ATOM 0 HZ1 LYS A 43 -17.295 1.390 12.243 1.00 32.14 H new ATOM 0 HZ2 LYS A 43 -16.139 0.156 12.399 1.00 32.14 H new ATOM 0 HZ3 LYS A 43 -16.688 0.985 13.776 1.00 32.14 H new ATOM 736 N LYS A 44 -9.227 -0.520 14.391 1.00 64.13 N ATOM 737 CA LYS A 44 -8.127 -0.993 15.251 1.00 2.41 C ATOM 738 C LYS A 44 -6.958 0.007 15.304 1.00 33.22 C ATOM 739 O LYS A 44 -6.415 0.228 16.380 1.00 72.33 O ATOM 740 CB LYS A 44 -7.619 -2.392 14.804 1.00 11.24 C ATOM 741 CG LYS A 44 -8.626 -3.553 15.004 1.00 42.42 C ATOM 742 CD LYS A 44 -9.030 -3.781 16.484 1.00 35.44 C ATOM 743 CE LYS A 44 -7.848 -4.196 17.382 1.00 5.41 C ATOM 744 NZ LYS A 44 -7.224 -5.475 16.946 1.00 31.32 N ATOM 0 H LYS A 44 -9.434 -1.147 13.614 1.00 64.13 H new ATOM 0 HA LYS A 44 -8.536 -1.078 16.258 1.00 2.41 H new ATOM 0 HB2 LYS A 44 -7.350 -2.343 13.749 1.00 11.24 H new ATOM 0 HB3 LYS A 44 -6.708 -2.623 15.355 1.00 11.24 H new ATOM 0 HG2 LYS A 44 -9.523 -3.349 14.419 1.00 42.42 H new ATOM 0 HG3 LYS A 44 -8.191 -4.471 14.610 1.00 42.42 H new ATOM 0 HD2 LYS A 44 -9.472 -2.866 16.878 1.00 35.44 H new ATOM 0 HD3 LYS A 44 -9.799 -4.552 16.529 1.00 35.44 H new ATOM 0 HE2 LYS A 44 -7.096 -3.407 17.375 1.00 5.41 H new ATOM 0 HE3 LYS A 44 -8.195 -4.296 18.410 1.00 5.41 H new ATOM 0 HZ1 LYS A 44 -6.503 -5.763 17.638 1.00 31.32 H new ATOM 0 HZ2 LYS A 44 -7.954 -6.213 16.880 1.00 31.32 H new ATOM 0 HZ3 LYS A 44 -6.778 -5.344 16.015 1.00 31.32 H new ATOM 758 N LEU A 45 -6.613 0.628 14.146 1.00 35.31 N ATOM 759 CA LEU A 45 -5.504 1.616 14.056 1.00 75.30 C ATOM 760 C LEU A 45 -5.642 2.707 15.146 1.00 34.31 C ATOM 761 O LEU A 45 -4.675 3.041 15.840 1.00 64.12 O ATOM 762 CB LEU A 45 -5.479 2.293 12.652 1.00 61.51 C ATOM 763 CG LEU A 45 -5.277 1.364 11.417 1.00 53.31 C ATOM 764 CD1 LEU A 45 -5.317 2.182 10.111 1.00 63.50 C ATOM 765 CD2 LEU A 45 -3.976 0.544 11.520 1.00 24.43 C ATOM 0 H LEU A 45 -7.088 0.462 13.259 1.00 35.31 H new ATOM 0 HA LEU A 45 -4.571 1.074 14.211 1.00 75.30 H new ATOM 0 HB2 LEU A 45 -6.417 2.831 12.520 1.00 61.51 H new ATOM 0 HB3 LEU A 45 -4.682 3.036 12.650 1.00 61.51 H new ATOM 0 HG LEU A 45 -6.102 0.652 11.403 1.00 53.31 H new ATOM 0 HD11 LEU A 45 -5.174 1.516 9.260 1.00 63.50 H new ATOM 0 HD12 LEU A 45 -6.282 2.681 10.023 1.00 63.50 H new ATOM 0 HD13 LEU A 45 -4.523 2.929 10.125 1.00 63.50 H new ATOM 0 HD21 LEU A 45 -3.875 -0.090 10.639 1.00 24.43 H new ATOM 0 HD22 LEU A 45 -3.123 1.220 11.581 1.00 24.43 H new ATOM 0 HD23 LEU A 45 -4.009 -0.079 12.413 1.00 24.43 H new ATOM 777 N ALA A 46 -6.889 3.192 15.309 1.00 22.43 N ATOM 778 CA ALA A 46 -7.234 4.279 16.241 1.00 21.50 C ATOM 779 C ALA A 46 -7.358 3.791 17.706 1.00 52.03 C ATOM 780 O ALA A 46 -7.291 4.603 18.636 1.00 41.33 O ATOM 781 CB ALA A 46 -8.548 4.934 15.790 1.00 30.05 C ATOM 0 H ALA A 46 -7.692 2.835 14.791 1.00 22.43 H new ATOM 0 HA ALA A 46 -6.421 5.005 16.219 1.00 21.50 H new ATOM 0 HB1 ALA A 46 -8.808 5.739 16.477 1.00 30.05 H new ATOM 0 HB2 ALA A 46 -8.427 5.339 14.785 1.00 30.05 H new ATOM 0 HB3 ALA A 46 -9.344 4.189 15.787 1.00 30.05 H new ATOM 787 N GLU A 47 -7.567 2.470 17.897 1.00 72.12 N ATOM 788 CA GLU A 47 -7.769 1.857 19.231 1.00 30.21 C ATOM 789 C GLU A 47 -6.416 1.483 19.870 1.00 10.33 C ATOM 790 O GLU A 47 -6.092 1.909 20.990 1.00 23.05 O ATOM 791 CB GLU A 47 -8.667 0.595 19.100 1.00 14.41 C ATOM 792 CG GLU A 47 -10.082 0.873 18.563 1.00 64.31 C ATOM 793 CD GLU A 47 -10.943 -0.396 18.463 1.00 52.52 C ATOM 794 OE1 GLU A 47 -11.488 -0.835 19.496 1.00 71.04 O ATOM 795 OE2 GLU A 47 -11.095 -0.956 17.353 1.00 23.14 O ATOM 0 H GLU A 47 -7.601 1.797 17.131 1.00 72.12 H new ATOM 0 HA GLU A 47 -8.263 2.583 19.877 1.00 30.21 H new ATOM 0 HB2 GLU A 47 -8.175 -0.119 18.439 1.00 14.41 H new ATOM 0 HB3 GLU A 47 -8.750 0.120 20.078 1.00 14.41 H new ATOM 0 HG2 GLU A 47 -10.578 1.592 19.215 1.00 64.31 H new ATOM 0 HG3 GLU A 47 -10.007 1.334 17.578 1.00 64.31 H new ATOM 802 N GLU A 48 -5.623 0.699 19.124 1.00 63.22 N ATOM 803 CA GLU A 48 -4.297 0.245 19.571 1.00 73.30 C ATOM 804 C GLU A 48 -3.247 1.159 18.910 1.00 10.44 C ATOM 805 O GLU A 48 -2.789 0.947 17.782 1.00 20.51 O ATOM 806 CB GLU A 48 -4.078 -1.301 19.356 1.00 71.04 C ATOM 807 CG GLU A 48 -4.580 -1.933 18.025 1.00 52.35 C ATOM 808 CD GLU A 48 -3.623 -1.802 16.825 1.00 11.24 C ATOM 809 OE1 GLU A 48 -2.472 -2.278 16.918 1.00 12.20 O ATOM 810 OE2 GLU A 48 -4.009 -1.238 15.783 1.00 11.04 O ATOM 0 H GLU A 48 -5.882 0.363 18.196 1.00 63.22 H new ATOM 0 HA GLU A 48 -4.196 0.343 20.652 1.00 73.30 H new ATOM 0 HB2 GLU A 48 -3.010 -1.501 19.439 1.00 71.04 H new ATOM 0 HB3 GLU A 48 -4.565 -1.825 20.179 1.00 71.04 H new ATOM 0 HG2 GLU A 48 -4.776 -2.991 18.197 1.00 52.35 H new ATOM 0 HG3 GLU A 48 -5.531 -1.472 17.760 1.00 52.35 H new ATOM 817 N LYS A 49 -2.928 2.239 19.645 1.00 21.53 N ATOM 818 CA LYS A 49 -2.081 3.352 19.186 1.00 31.15 C ATOM 819 C LYS A 49 -0.578 3.036 19.324 1.00 73.35 C ATOM 820 O LYS A 49 0.243 3.951 19.471 1.00 50.42 O ATOM 821 CB LYS A 49 -2.455 4.617 20.007 1.00 44.45 C ATOM 822 CG LYS A 49 -3.931 5.048 19.873 1.00 55.45 C ATOM 823 CD LYS A 49 -4.324 6.158 20.875 1.00 22.00 C ATOM 824 CE LYS A 49 -3.516 7.453 20.716 1.00 40.21 C ATOM 825 NZ LYS A 49 -3.901 8.468 21.742 1.00 24.23 N ATOM 0 H LYS A 49 -3.262 2.364 20.601 1.00 21.53 H new ATOM 0 HA LYS A 49 -2.262 3.520 18.124 1.00 31.15 H new ATOM 0 HB2 LYS A 49 -2.237 4.431 21.059 1.00 44.45 H new ATOM 0 HB3 LYS A 49 -1.817 5.443 19.691 1.00 44.45 H new ATOM 0 HG2 LYS A 49 -4.111 5.401 18.858 1.00 55.45 H new ATOM 0 HG3 LYS A 49 -4.573 4.181 20.028 1.00 55.45 H new ATOM 0 HD2 LYS A 49 -5.383 6.385 20.754 1.00 22.00 H new ATOM 0 HD3 LYS A 49 -4.193 5.781 21.889 1.00 22.00 H new ATOM 0 HE2 LYS A 49 -2.452 7.232 20.802 1.00 40.21 H new ATOM 0 HE3 LYS A 49 -3.676 7.863 19.719 1.00 40.21 H new ATOM 0 HZ1 LYS A 49 -3.336 9.331 21.606 1.00 24.23 H new ATOM 0 HZ2 LYS A 49 -4.911 8.696 21.643 1.00 24.23 H new ATOM 0 HZ3 LYS A 49 -3.724 8.085 22.693 1.00 24.23 H new ATOM 839 N ASN A 50 -0.231 1.738 19.244 1.00 31.01 N ATOM 840 CA ASN A 50 1.157 1.261 19.318 1.00 5.01 C ATOM 841 C ASN A 50 1.976 1.736 18.103 1.00 51.01 C ATOM 842 O ASN A 50 1.432 2.142 17.070 1.00 23.42 O ATOM 843 CB ASN A 50 1.196 -0.295 19.471 1.00 55.22 C ATOM 844 CG ASN A 50 0.394 -1.073 18.410 1.00 42.10 C ATOM 845 OD1 ASN A 50 0.273 -0.662 17.255 1.00 72.23 O ATOM 846 ND2 ASN A 50 -0.161 -2.211 18.800 1.00 2.34 N ATOM 0 H ASN A 50 -0.912 0.988 19.125 1.00 31.01 H new ATOM 0 HA ASN A 50 1.621 1.694 20.204 1.00 5.01 H new ATOM 0 HB2 ASN A 50 2.235 -0.623 19.433 1.00 55.22 H new ATOM 0 HB3 ASN A 50 0.815 -0.558 20.458 1.00 55.22 H new ATOM 0 HD21 ASN A 50 -0.702 -2.767 18.138 1.00 2.34 H new ATOM 0 HD22 ASN A 50 -0.047 -2.531 19.762 1.00 2.34 H new ATOM 853 N PHE A 51 3.294 1.655 18.241 1.00 42.34 N ATOM 854 CA PHE A 51 4.256 2.210 17.280 1.00 72.25 C ATOM 855 C PHE A 51 4.654 1.137 16.229 1.00 52.24 C ATOM 856 O PHE A 51 5.756 1.172 15.674 1.00 64.01 O ATOM 857 CB PHE A 51 5.479 2.742 18.101 1.00 34.24 C ATOM 858 CG PHE A 51 6.177 3.962 17.521 1.00 34.24 C ATOM 859 CD1 PHE A 51 5.457 5.131 17.262 1.00 3.50 C ATOM 860 CD2 PHE A 51 7.541 3.956 17.248 1.00 4.01 C ATOM 861 CE1 PHE A 51 6.079 6.246 16.745 1.00 13.52 C ATOM 862 CE2 PHE A 51 8.161 5.073 16.732 1.00 31.35 C ATOM 863 CZ PHE A 51 7.430 6.217 16.479 1.00 35.32 C ATOM 0 H PHE A 51 3.738 1.195 19.036 1.00 42.34 H new ATOM 0 HA PHE A 51 3.824 3.034 16.712 1.00 72.25 H new ATOM 0 HB2 PHE A 51 5.140 2.984 19.108 1.00 34.24 H new ATOM 0 HB3 PHE A 51 6.209 1.938 18.194 1.00 34.24 H new ATOM 0 HD1 PHE A 51 4.398 5.161 17.470 1.00 3.50 H new ATOM 0 HD2 PHE A 51 8.121 3.066 17.443 1.00 4.01 H new ATOM 0 HE1 PHE A 51 5.508 7.142 16.549 1.00 13.52 H new ATOM 0 HE2 PHE A 51 9.221 5.054 16.525 1.00 31.35 H new ATOM 0 HZ PHE A 51 7.918 7.090 16.072 1.00 35.32 H new ATOM 873 N GLU A 52 3.713 0.212 15.933 1.00 70.14 N ATOM 874 CA GLU A 52 3.936 -0.912 14.997 1.00 51.20 C ATOM 875 C GLU A 52 3.570 -0.500 13.559 1.00 24.30 C ATOM 876 O GLU A 52 2.443 -0.065 13.302 1.00 62.31 O ATOM 877 CB GLU A 52 3.095 -2.152 15.426 1.00 60.14 C ATOM 878 CG GLU A 52 3.328 -2.622 16.877 1.00 52.34 C ATOM 879 CD GLU A 52 4.803 -2.910 17.203 1.00 13.05 C ATOM 880 OE1 GLU A 52 5.289 -4.018 16.907 1.00 2.14 O ATOM 881 OE2 GLU A 52 5.491 -2.022 17.743 1.00 54.20 O ATOM 0 H GLU A 52 2.777 0.224 16.337 1.00 70.14 H new ATOM 0 HA GLU A 52 4.993 -1.176 15.027 1.00 51.20 H new ATOM 0 HB2 GLU A 52 2.038 -1.917 15.300 1.00 60.14 H new ATOM 0 HB3 GLU A 52 3.321 -2.978 14.751 1.00 60.14 H new ATOM 0 HG2 GLU A 52 2.956 -1.859 17.561 1.00 52.34 H new ATOM 0 HG3 GLU A 52 2.742 -3.524 17.056 1.00 52.34 H new ATOM 888 N LYS A 53 4.534 -0.652 12.628 1.00 61.24 N ATOM 889 CA LYS A 53 4.350 -0.301 11.205 1.00 31.01 C ATOM 890 C LYS A 53 3.643 -1.443 10.475 1.00 51.45 C ATOM 891 O LYS A 53 4.181 -2.551 10.353 1.00 71.43 O ATOM 892 CB LYS A 53 5.703 0.053 10.514 1.00 34.23 C ATOM 893 CG LYS A 53 6.252 1.452 10.889 1.00 32.00 C ATOM 894 CD LYS A 53 6.630 1.593 12.379 1.00 11.21 C ATOM 895 CE LYS A 53 6.755 3.054 12.815 1.00 20.10 C ATOM 896 NZ LYS A 53 7.160 3.155 14.236 1.00 53.14 N ATOM 0 H LYS A 53 5.461 -1.021 12.841 1.00 61.24 H new ATOM 0 HA LYS A 53 3.726 0.592 11.155 1.00 31.01 H new ATOM 0 HB2 LYS A 53 6.444 -0.701 10.781 1.00 34.23 H new ATOM 0 HB3 LYS A 53 5.572 0.003 9.433 1.00 34.23 H new ATOM 0 HG2 LYS A 53 7.131 1.663 10.279 1.00 32.00 H new ATOM 0 HG3 LYS A 53 5.504 2.204 10.641 1.00 32.00 H new ATOM 0 HD2 LYS A 53 5.876 1.098 12.990 1.00 11.21 H new ATOM 0 HD3 LYS A 53 7.575 1.081 12.561 1.00 11.21 H new ATOM 0 HE2 LYS A 53 7.488 3.562 12.188 1.00 20.10 H new ATOM 0 HE3 LYS A 53 5.802 3.563 12.668 1.00 20.10 H new ATOM 0 HZ1 LYS A 53 7.122 4.149 14.538 1.00 53.14 H new ATOM 0 HZ2 LYS A 53 6.513 2.590 14.822 1.00 53.14 H new ATOM 0 HZ3 LYS A 53 8.130 2.796 14.347 1.00 53.14 H new ATOM 910 N ILE A 54 2.428 -1.150 9.989 1.00 55.51 N ATOM 911 CA ILE A 54 1.539 -2.146 9.395 1.00 11.40 C ATOM 912 C ILE A 54 1.523 -1.959 7.868 1.00 20.25 C ATOM 913 O ILE A 54 1.068 -0.928 7.361 1.00 71.42 O ATOM 914 CB ILE A 54 0.085 -2.004 9.982 1.00 13.43 C ATOM 915 CG1 ILE A 54 0.090 -2.054 11.548 1.00 51.02 C ATOM 916 CG2 ILE A 54 -0.866 -3.065 9.392 1.00 22.14 C ATOM 917 CD1 ILE A 54 0.589 -3.351 12.170 1.00 50.12 C ATOM 0 H ILE A 54 2.037 -0.208 9.999 1.00 55.51 H new ATOM 0 HA ILE A 54 1.903 -3.145 9.633 1.00 11.40 H new ATOM 0 HB ILE A 54 -0.290 -1.024 9.687 1.00 13.43 H new ATOM 0 HG12 ILE A 54 0.708 -1.235 11.916 1.00 51.02 H new ATOM 0 HG13 ILE A 54 -0.925 -1.871 11.901 1.00 51.02 H new ATOM 0 HG21 ILE A 54 -1.861 -2.939 9.818 1.00 22.14 H new ATOM 0 HG22 ILE A 54 -0.917 -2.946 8.310 1.00 22.14 H new ATOM 0 HG23 ILE A 54 -0.493 -4.061 9.630 1.00 22.14 H new ATOM 0 HD11 ILE A 54 0.549 -3.273 13.256 1.00 50.12 H new ATOM 0 HD12 ILE A 54 -0.041 -4.178 11.842 1.00 50.12 H new ATOM 0 HD13 ILE A 54 1.617 -3.532 11.857 1.00 50.12 H new ATOM 929 N LEU A 55 2.045 -2.952 7.155 1.00 22.45 N ATOM 930 CA LEU A 55 2.050 -2.976 5.695 1.00 0.12 C ATOM 931 C LEU A 55 0.786 -3.697 5.210 1.00 53.00 C ATOM 932 O LEU A 55 0.531 -4.832 5.607 1.00 11.25 O ATOM 933 CB LEU A 55 3.345 -3.670 5.202 1.00 63.12 C ATOM 934 CG LEU A 55 3.603 -3.648 3.648 1.00 54.23 C ATOM 935 CD1 LEU A 55 5.097 -3.455 3.343 1.00 21.33 C ATOM 936 CD2 LEU A 55 3.067 -4.915 2.938 1.00 73.12 C ATOM 0 H LEU A 55 2.481 -3.771 7.578 1.00 22.45 H new ATOM 0 HA LEU A 55 2.041 -1.966 5.285 1.00 0.12 H new ATOM 0 HB2 LEU A 55 4.195 -3.199 5.696 1.00 63.12 H new ATOM 0 HB3 LEU A 55 3.322 -4.709 5.530 1.00 63.12 H new ATOM 0 HG LEU A 55 3.047 -2.798 3.252 1.00 54.23 H new ATOM 0 HD11 LEU A 55 5.249 -3.443 2.264 1.00 21.33 H new ATOM 0 HD12 LEU A 55 5.436 -2.510 3.768 1.00 21.33 H new ATOM 0 HD13 LEU A 55 5.667 -4.275 3.781 1.00 21.33 H new ATOM 0 HD21 LEU A 55 3.271 -4.847 1.869 1.00 73.12 H new ATOM 0 HD22 LEU A 55 3.560 -5.797 3.347 1.00 73.12 H new ATOM 0 HD23 LEU A 55 1.992 -4.994 3.097 1.00 73.12 H new ATOM 948 N ILE A 56 -0.013 -3.021 4.379 1.00 55.24 N ATOM 949 CA ILE A 56 -1.238 -3.591 3.802 1.00 13.21 C ATOM 950 C ILE A 56 -0.941 -4.035 2.356 1.00 72.51 C ATOM 951 O ILE A 56 -0.207 -3.355 1.633 1.00 75.30 O ATOM 952 CB ILE A 56 -2.418 -2.543 3.777 1.00 61.21 C ATOM 953 CG1 ILE A 56 -2.666 -1.895 5.184 1.00 64.14 C ATOM 954 CG2 ILE A 56 -3.718 -3.180 3.229 1.00 73.01 C ATOM 955 CD1 ILE A 56 -3.166 -2.838 6.267 1.00 63.11 C ATOM 0 H ILE A 56 0.170 -2.061 4.086 1.00 55.24 H new ATOM 0 HA ILE A 56 -1.546 -4.434 4.421 1.00 13.21 H new ATOM 0 HB ILE A 56 -2.116 -1.743 3.102 1.00 61.21 H new ATOM 0 HG12 ILE A 56 -1.735 -1.442 5.524 1.00 64.14 H new ATOM 0 HG13 ILE A 56 -3.389 -1.088 5.069 1.00 64.14 H new ATOM 0 HG21 ILE A 56 -4.514 -2.435 3.223 1.00 73.01 H new ATOM 0 HG22 ILE A 56 -3.548 -3.537 2.213 1.00 73.01 H new ATOM 0 HG23 ILE A 56 -4.009 -4.017 3.864 1.00 73.01 H new ATOM 0 HD11 ILE A 56 -3.303 -2.285 7.196 1.00 63.11 H new ATOM 0 HD12 ILE A 56 -4.117 -3.273 5.960 1.00 63.11 H new ATOM 0 HD13 ILE A 56 -2.437 -3.633 6.422 1.00 63.11 H new ATOM 967 N ILE A 57 -1.495 -5.185 1.955 1.00 74.13 N ATOM 968 CA ILE A 57 -1.536 -5.627 0.556 1.00 24.20 C ATOM 969 C ILE A 57 -3.011 -5.801 0.166 1.00 51.00 C ATOM 970 O ILE A 57 -3.753 -6.534 0.827 1.00 30.34 O ATOM 971 CB ILE A 57 -0.738 -6.974 0.317 1.00 32.41 C ATOM 972 CG1 ILE A 57 0.770 -6.798 0.699 1.00 4.15 C ATOM 973 CG2 ILE A 57 -0.888 -7.451 -1.150 1.00 33.44 C ATOM 974 CD1 ILE A 57 1.636 -8.041 0.540 1.00 64.44 C ATOM 0 H ILE A 57 -1.933 -5.843 2.600 1.00 74.13 H new ATOM 0 HA ILE A 57 -1.050 -4.875 -0.066 1.00 24.20 H new ATOM 0 HB ILE A 57 -1.163 -7.742 0.963 1.00 32.41 H new ATOM 0 HG12 ILE A 57 1.192 -6.002 0.086 1.00 4.15 H new ATOM 0 HG13 ILE A 57 0.828 -6.466 1.736 1.00 4.15 H new ATOM 0 HG21 ILE A 57 -0.331 -8.378 -1.290 1.00 33.44 H new ATOM 0 HG22 ILE A 57 -1.941 -7.624 -1.371 1.00 33.44 H new ATOM 0 HG23 ILE A 57 -0.497 -6.688 -1.823 1.00 33.44 H new ATOM 0 HD11 ILE A 57 2.661 -7.810 0.831 1.00 64.44 H new ATOM 0 HD12 ILE A 57 1.249 -8.838 1.175 1.00 64.44 H new ATOM 0 HD13 ILE A 57 1.619 -8.366 -0.500 1.00 64.44 H new ATOM 986 N SER A 58 -3.435 -5.085 -0.874 1.00 23.14 N ATOM 987 CA SER A 58 -4.779 -5.209 -1.448 1.00 44.25 C ATOM 988 C SER A 58 -4.632 -5.337 -2.964 1.00 72.53 C ATOM 989 O SER A 58 -3.800 -4.665 -3.569 1.00 31.34 O ATOM 990 CB SER A 58 -5.668 -3.991 -1.083 1.00 23.34 C ATOM 991 OG SER A 58 -7.014 -4.183 -1.517 1.00 53.24 O ATOM 0 H SER A 58 -2.852 -4.395 -1.348 1.00 23.14 H new ATOM 0 HA SER A 58 -5.272 -6.091 -1.038 1.00 44.25 H new ATOM 0 HB2 SER A 58 -5.650 -3.835 -0.004 1.00 23.34 H new ATOM 0 HB3 SER A 58 -5.261 -3.090 -1.542 1.00 23.34 H new ATOM 0 HG SER A 58 -7.199 -3.596 -2.280 1.00 53.24 H new ATOM 997 N ASN A 59 -5.415 -6.237 -3.552 1.00 51.41 N ATOM 998 CA ASN A 59 -5.486 -6.439 -5.008 1.00 62.43 C ATOM 999 C ASN A 59 -6.559 -5.515 -5.598 1.00 30.14 C ATOM 1000 O ASN A 59 -6.475 -5.102 -6.759 1.00 52.24 O ATOM 1001 CB ASN A 59 -5.818 -7.930 -5.305 1.00 12.01 C ATOM 1002 CG ASN A 59 -5.933 -8.273 -6.797 1.00 63.02 C ATOM 1003 OD1 ASN A 59 -4.950 -8.623 -7.448 1.00 41.34 O ATOM 1004 ND2 ASN A 59 -7.146 -8.198 -7.338 1.00 5.12 N ATOM 0 H ASN A 59 -6.030 -6.859 -3.028 1.00 51.41 H new ATOM 0 HA ASN A 59 -4.527 -6.197 -5.467 1.00 62.43 H new ATOM 0 HB2 ASN A 59 -5.045 -8.557 -4.860 1.00 12.01 H new ATOM 0 HB3 ASN A 59 -6.757 -8.185 -4.813 1.00 12.01 H new ATOM 0 HD21 ASN A 59 -7.282 -8.435 -8.321 1.00 5.12 H new ATOM 0 HD22 ASN A 59 -7.941 -7.904 -6.770 1.00 5.12 H new ATOM 1011 N ASP A 60 -7.543 -5.160 -4.750 1.00 11.34 N ATOM 1012 CA ASP A 60 -8.780 -4.494 -5.179 1.00 43.14 C ATOM 1013 C ASP A 60 -8.651 -2.974 -5.026 1.00 5.21 C ATOM 1014 O ASP A 60 -8.208 -2.479 -3.983 1.00 33.14 O ATOM 1015 CB ASP A 60 -9.983 -5.019 -4.357 1.00 61.02 C ATOM 1016 CG ASP A 60 -11.329 -4.419 -4.802 1.00 23.14 C ATOM 1017 OD1 ASP A 60 -11.767 -4.703 -5.935 1.00 63.34 O ATOM 1018 OD2 ASP A 60 -11.944 -3.652 -4.040 1.00 12.35 O ATOM 0 H ASP A 60 -7.499 -5.329 -3.745 1.00 11.34 H new ATOM 0 HA ASP A 60 -8.950 -4.721 -6.231 1.00 43.14 H new ATOM 0 HB2 ASP A 60 -10.029 -6.104 -4.445 1.00 61.02 H new ATOM 0 HB3 ASP A 60 -9.822 -4.792 -3.303 1.00 61.02 H new ATOM 1023 N LYS A 61 -9.071 -2.255 -6.073 1.00 44.22 N ATOM 1024 CA LYS A 61 -8.929 -0.796 -6.170 1.00 55.43 C ATOM 1025 C LYS A 61 -9.918 -0.067 -5.232 1.00 75.23 C ATOM 1026 O LYS A 61 -9.563 0.933 -4.605 1.00 73.41 O ATOM 1027 CB LYS A 61 -9.149 -0.359 -7.644 1.00 1.55 C ATOM 1028 CG LYS A 61 -8.255 -1.091 -8.680 1.00 43.23 C ATOM 1029 CD LYS A 61 -6.739 -0.843 -8.467 1.00 11.42 C ATOM 1030 CE LYS A 61 -5.864 -1.677 -9.420 1.00 55.01 C ATOM 1031 NZ LYS A 61 -4.412 -1.364 -9.275 1.00 25.11 N ATOM 0 H LYS A 61 -9.524 -2.673 -6.886 1.00 44.22 H new ATOM 0 HA LYS A 61 -7.923 -0.521 -5.854 1.00 55.43 H new ATOM 0 HB2 LYS A 61 -10.194 -0.525 -7.905 1.00 1.55 H new ATOM 0 HB3 LYS A 61 -8.967 0.713 -7.721 1.00 1.55 H new ATOM 0 HG2 LYS A 61 -8.452 -2.162 -8.627 1.00 43.23 H new ATOM 0 HG3 LYS A 61 -8.532 -0.765 -9.683 1.00 43.23 H new ATOM 0 HD2 LYS A 61 -6.523 0.215 -8.614 1.00 11.42 H new ATOM 0 HD3 LYS A 61 -6.477 -1.082 -7.436 1.00 11.42 H new ATOM 0 HE2 LYS A 61 -6.026 -2.737 -9.225 1.00 55.01 H new ATOM 0 HE3 LYS A 61 -6.172 -1.492 -10.449 1.00 55.01 H new ATOM 0 HZ1 LYS A 61 -3.862 -1.962 -9.924 1.00 25.11 H new ATOM 0 HZ2 LYS A 61 -4.248 -0.363 -9.503 1.00 25.11 H new ATOM 0 HZ3 LYS A 61 -4.113 -1.549 -8.296 1.00 25.11 H new ATOM 1045 N GLN A 62 -11.142 -0.621 -5.121 1.00 15.44 N ATOM 1046 CA GLN A 62 -12.237 -0.035 -4.324 1.00 32.15 C ATOM 1047 C GLN A 62 -11.876 -0.040 -2.828 1.00 35.33 C ATOM 1048 O GLN A 62 -12.033 0.980 -2.152 1.00 2.32 O ATOM 1049 CB GLN A 62 -13.550 -0.823 -4.582 1.00 43.43 C ATOM 1050 CG GLN A 62 -14.785 -0.328 -3.812 1.00 64.45 C ATOM 1051 CD GLN A 62 -16.065 -1.075 -4.206 1.00 4.43 C ATOM 1052 OE1 GLN A 62 -16.416 -2.101 -3.623 1.00 52.22 O ATOM 1053 NE2 GLN A 62 -16.766 -0.581 -5.215 1.00 53.21 N ATOM 0 H GLN A 62 -11.399 -1.492 -5.585 1.00 15.44 H new ATOM 0 HA GLN A 62 -12.387 1.001 -4.627 1.00 32.15 H new ATOM 0 HB2 GLN A 62 -13.771 -0.786 -5.649 1.00 43.43 H new ATOM 0 HB3 GLN A 62 -13.381 -1.869 -4.327 1.00 43.43 H new ATOM 0 HG2 GLN A 62 -14.614 -0.448 -2.742 1.00 64.45 H new ATOM 0 HG3 GLN A 62 -14.920 0.738 -3.996 1.00 64.45 H new ATOM 0 HE21 GLN A 62 -16.456 0.271 -5.683 1.00 53.21 H new ATOM 0 HE22 GLN A 62 -17.616 -1.052 -5.524 1.00 53.21 H new ATOM 1062 N LEU A 63 -11.351 -1.191 -2.345 1.00 14.35 N ATOM 1063 CA LEU A 63 -10.920 -1.362 -0.947 1.00 70.33 C ATOM 1064 C LEU A 63 -9.796 -0.378 -0.608 1.00 63.23 C ATOM 1065 O LEU A 63 -9.846 0.288 0.415 1.00 55.55 O ATOM 1066 CB LEU A 63 -10.437 -2.823 -0.685 1.00 63.54 C ATOM 1067 CG LEU A 63 -11.546 -3.913 -0.635 1.00 51.43 C ATOM 1068 CD1 LEU A 63 -10.934 -5.315 -0.423 1.00 20.43 C ATOM 1069 CD2 LEU A 63 -12.581 -3.586 0.457 1.00 61.43 C ATOM 0 H LEU A 63 -11.217 -2.024 -2.918 1.00 14.35 H new ATOM 0 HA LEU A 63 -11.778 -1.159 -0.307 1.00 70.33 H new ATOM 0 HB2 LEU A 63 -9.725 -3.094 -1.465 1.00 63.54 H new ATOM 0 HB3 LEU A 63 -9.896 -2.841 0.261 1.00 63.54 H new ATOM 0 HG LEU A 63 -12.061 -3.919 -1.595 1.00 51.43 H new ATOM 0 HD11 LEU A 63 -11.730 -6.059 -0.392 1.00 20.43 H new ATOM 0 HD12 LEU A 63 -10.256 -5.544 -1.245 1.00 20.43 H new ATOM 0 HD13 LEU A 63 -10.383 -5.333 0.518 1.00 20.43 H new ATOM 0 HD21 LEU A 63 -13.348 -4.361 0.475 1.00 61.43 H new ATOM 0 HD22 LEU A 63 -12.085 -3.543 1.427 1.00 61.43 H new ATOM 0 HD23 LEU A 63 -13.044 -2.623 0.243 1.00 61.43 H new ATOM 1081 N LEU A 64 -8.803 -0.293 -1.506 1.00 60.21 N ATOM 1082 CA LEU A 64 -7.667 0.630 -1.368 1.00 43.12 C ATOM 1083 C LEU A 64 -8.144 2.077 -1.125 1.00 40.54 C ATOM 1084 O LEU A 64 -7.654 2.754 -0.217 1.00 4.13 O ATOM 1085 CB LEU A 64 -6.778 0.522 -2.632 1.00 5.14 C ATOM 1086 CG LEU A 64 -5.532 1.483 -2.729 1.00 35.14 C ATOM 1087 CD1 LEU A 64 -4.432 0.849 -3.565 1.00 1.40 C ATOM 1088 CD2 LEU A 64 -5.885 2.862 -3.330 1.00 62.21 C ATOM 0 H LEU A 64 -8.765 -0.864 -2.350 1.00 60.21 H new ATOM 0 HA LEU A 64 -7.077 0.351 -0.495 1.00 43.12 H new ATOM 0 HB2 LEU A 64 -6.418 -0.504 -2.703 1.00 5.14 H new ATOM 0 HB3 LEU A 64 -7.409 0.700 -3.503 1.00 5.14 H new ATOM 0 HG LEU A 64 -5.188 1.639 -1.707 1.00 35.14 H new ATOM 0 HD11 LEU A 64 -3.580 1.527 -3.620 1.00 1.40 H new ATOM 0 HD12 LEU A 64 -4.120 -0.089 -3.105 1.00 1.40 H new ATOM 0 HD13 LEU A 64 -4.806 0.653 -4.570 1.00 1.40 H new ATOM 0 HD21 LEU A 64 -4.989 3.481 -3.372 1.00 62.21 H new ATOM 0 HD22 LEU A 64 -6.282 2.729 -4.336 1.00 62.21 H new ATOM 0 HD23 LEU A 64 -6.634 3.350 -2.706 1.00 62.21 H new ATOM 1100 N LYS A 65 -9.119 2.516 -1.943 1.00 50.21 N ATOM 1101 CA LYS A 65 -9.707 3.862 -1.867 1.00 44.41 C ATOM 1102 C LYS A 65 -10.349 4.127 -0.496 1.00 54.00 C ATOM 1103 O LYS A 65 -10.000 5.105 0.181 1.00 51.43 O ATOM 1104 CB LYS A 65 -10.756 4.024 -2.997 1.00 4.33 C ATOM 1105 CG LYS A 65 -10.158 4.094 -4.422 1.00 64.42 C ATOM 1106 CD LYS A 65 -11.233 4.011 -5.534 1.00 13.12 C ATOM 1107 CE LYS A 65 -12.366 5.030 -5.360 1.00 41.10 C ATOM 1108 NZ LYS A 65 -11.863 6.418 -5.180 1.00 3.05 N ATOM 0 H LYS A 65 -9.523 1.939 -2.681 1.00 50.21 H new ATOM 0 HA LYS A 65 -8.910 4.594 -1.995 1.00 44.41 H new ATOM 0 HB2 LYS A 65 -11.454 3.188 -2.950 1.00 4.33 H new ATOM 0 HB3 LYS A 65 -11.332 4.931 -2.813 1.00 4.33 H new ATOM 0 HG2 LYS A 65 -9.601 5.025 -4.531 1.00 64.42 H new ATOM 0 HG3 LYS A 65 -9.445 3.279 -4.552 1.00 64.42 H new ATOM 0 HD2 LYS A 65 -10.757 4.169 -6.502 1.00 13.12 H new ATOM 0 HD3 LYS A 65 -11.656 3.006 -5.547 1.00 13.12 H new ATOM 0 HE2 LYS A 65 -13.019 4.994 -6.232 1.00 41.10 H new ATOM 0 HE3 LYS A 65 -12.971 4.752 -4.497 1.00 41.10 H new ATOM 0 HZ1 LYS A 65 -12.586 7.094 -5.500 1.00 3.05 H new ATOM 0 HZ2 LYS A 65 -11.654 6.584 -4.175 1.00 3.05 H new ATOM 0 HZ3 LYS A 65 -10.996 6.548 -5.740 1.00 3.05 H new ATOM 1122 N GLU A 66 -11.254 3.218 -0.089 1.00 42.52 N ATOM 1123 CA GLU A 66 -12.004 3.332 1.173 1.00 3.22 C ATOM 1124 C GLU A 66 -11.051 3.354 2.377 1.00 72.44 C ATOM 1125 O GLU A 66 -11.220 4.154 3.300 1.00 21.23 O ATOM 1126 CB GLU A 66 -13.002 2.156 1.309 1.00 24.40 C ATOM 1127 CG GLU A 66 -14.030 2.049 0.165 1.00 4.25 C ATOM 1128 CD GLU A 66 -14.870 3.326 -0.036 1.00 24.33 C ATOM 1129 OE1 GLU A 66 -15.913 3.472 0.633 1.00 3.40 O ATOM 1130 OE2 GLU A 66 -14.493 4.186 -0.861 1.00 52.01 O ATOM 0 H GLU A 66 -11.485 2.383 -0.627 1.00 42.52 H new ATOM 0 HA GLU A 66 -12.558 4.271 1.156 1.00 3.22 H new ATOM 0 HB2 GLU A 66 -12.439 1.224 1.362 1.00 24.40 H new ATOM 0 HB3 GLU A 66 -13.538 2.259 2.253 1.00 24.40 H new ATOM 0 HG2 GLU A 66 -13.505 1.820 -0.763 1.00 4.25 H new ATOM 0 HG3 GLU A 66 -14.699 1.213 0.367 1.00 4.25 H new ATOM 1137 N MET A 67 -10.042 2.479 2.302 1.00 51.23 N ATOM 1138 CA MET A 67 -8.995 2.321 3.313 1.00 10.52 C ATOM 1139 C MET A 67 -8.262 3.640 3.557 1.00 24.05 C ATOM 1140 O MET A 67 -8.254 4.143 4.674 1.00 20.21 O ATOM 1141 CB MET A 67 -8.014 1.224 2.830 1.00 72.21 C ATOM 1142 CG MET A 67 -6.895 0.861 3.797 1.00 35.23 C ATOM 1143 SD MET A 67 -6.002 -0.614 3.280 1.00 1.24 S ATOM 1144 CE MET A 67 -7.314 -1.833 3.231 1.00 23.21 C ATOM 0 H MET A 67 -9.930 1.843 1.512 1.00 51.23 H new ATOM 0 HA MET A 67 -9.443 2.025 4.262 1.00 10.52 H new ATOM 0 HB2 MET A 67 -8.586 0.322 2.612 1.00 72.21 H new ATOM 0 HB3 MET A 67 -7.566 1.552 1.892 1.00 72.21 H new ATOM 0 HG2 MET A 67 -6.199 1.696 3.875 1.00 35.23 H new ATOM 0 HG3 MET A 67 -7.313 0.701 4.791 1.00 35.23 H new ATOM 0 HE1 MET A 67 -6.882 -2.829 3.137 1.00 23.21 H new ATOM 0 HE2 MET A 67 -7.898 -1.776 4.150 1.00 23.21 H new ATOM 0 HE3 MET A 67 -7.962 -1.636 2.377 1.00 23.21 H new ATOM 1154 N LEU A 68 -7.724 4.220 2.468 1.00 72.34 N ATOM 1155 CA LEU A 68 -6.892 5.431 2.529 1.00 33.40 C ATOM 1156 C LEU A 68 -7.675 6.655 3.037 1.00 1.11 C ATOM 1157 O LEU A 68 -7.133 7.470 3.779 1.00 74.32 O ATOM 1158 CB LEU A 68 -6.269 5.714 1.137 1.00 35.45 C ATOM 1159 CG LEU A 68 -5.151 4.720 0.694 1.00 72.21 C ATOM 1160 CD1 LEU A 68 -4.656 5.044 -0.722 1.00 34.11 C ATOM 1161 CD2 LEU A 68 -3.982 4.722 1.700 1.00 60.34 C ATOM 0 H LEU A 68 -7.855 3.861 1.522 1.00 72.34 H new ATOM 0 HA LEU A 68 -6.095 5.248 3.250 1.00 33.40 H new ATOM 0 HB2 LEU A 68 -7.064 5.698 0.391 1.00 35.45 H new ATOM 0 HB3 LEU A 68 -5.856 6.723 1.140 1.00 35.45 H new ATOM 0 HG LEU A 68 -5.580 3.718 0.678 1.00 72.21 H new ATOM 0 HD11 LEU A 68 -3.877 4.336 -1.006 1.00 34.11 H new ATOM 0 HD12 LEU A 68 -5.487 4.970 -1.424 1.00 34.11 H new ATOM 0 HD13 LEU A 68 -4.252 6.056 -0.743 1.00 34.11 H new ATOM 0 HD21 LEU A 68 -3.216 4.021 1.369 1.00 60.34 H new ATOM 0 HD22 LEU A 68 -3.556 5.723 1.761 1.00 60.34 H new ATOM 0 HD23 LEU A 68 -4.347 4.423 2.683 1.00 60.34 H new ATOM 1173 N GLU A 69 -8.955 6.771 2.644 1.00 24.03 N ATOM 1174 CA GLU A 69 -9.811 7.896 3.079 1.00 62.33 C ATOM 1175 C GLU A 69 -10.170 7.771 4.574 1.00 43.33 C ATOM 1176 O GLU A 69 -10.254 8.780 5.274 1.00 71.42 O ATOM 1177 CB GLU A 69 -11.078 8.003 2.203 1.00 3.21 C ATOM 1178 CG GLU A 69 -10.768 8.222 0.704 1.00 12.12 C ATOM 1179 CD GLU A 69 -12.004 8.568 -0.134 1.00 51.03 C ATOM 1180 OE1 GLU A 69 -12.983 7.803 -0.092 1.00 15.21 O ATOM 1181 OE2 GLU A 69 -11.998 9.603 -0.845 1.00 73.10 O ATOM 0 H GLU A 69 -9.421 6.104 2.029 1.00 24.03 H new ATOM 0 HA GLU A 69 -9.244 8.818 2.950 1.00 62.33 H new ATOM 0 HB2 GLU A 69 -11.667 7.093 2.316 1.00 3.21 H new ATOM 0 HB3 GLU A 69 -11.693 8.828 2.564 1.00 3.21 H new ATOM 0 HG2 GLU A 69 -10.037 9.024 0.606 1.00 12.12 H new ATOM 0 HG3 GLU A 69 -10.307 7.320 0.301 1.00 12.12 H new ATOM 1188 N LEU A 70 -10.338 6.521 5.053 1.00 64.34 N ATOM 1189 CA LEU A 70 -10.566 6.228 6.485 1.00 70.25 C ATOM 1190 C LEU A 70 -9.304 6.543 7.315 1.00 63.31 C ATOM 1191 O LEU A 70 -9.392 7.163 8.379 1.00 2.30 O ATOM 1192 CB LEU A 70 -11.025 4.748 6.661 1.00 51.41 C ATOM 1193 CG LEU A 70 -12.496 4.458 6.205 1.00 44.24 C ATOM 1194 CD1 LEU A 70 -12.834 2.957 6.278 1.00 43.22 C ATOM 1195 CD2 LEU A 70 -13.512 5.297 7.014 1.00 65.51 C ATOM 0 H LEU A 70 -10.320 5.690 4.462 1.00 64.34 H new ATOM 0 HA LEU A 70 -11.363 6.871 6.858 1.00 70.25 H new ATOM 0 HB2 LEU A 70 -10.351 4.104 6.097 1.00 51.41 H new ATOM 0 HB3 LEU A 70 -10.924 4.473 7.711 1.00 51.41 H new ATOM 0 HG LEU A 70 -12.571 4.757 5.160 1.00 44.24 H new ATOM 0 HD11 LEU A 70 -13.863 2.799 5.954 1.00 43.22 H new ATOM 0 HD12 LEU A 70 -12.159 2.400 5.628 1.00 43.22 H new ATOM 0 HD13 LEU A 70 -12.720 2.608 7.304 1.00 43.22 H new ATOM 0 HD21 LEU A 70 -14.523 5.072 6.673 1.00 65.51 H new ATOM 0 HD22 LEU A 70 -13.424 5.054 8.073 1.00 65.51 H new ATOM 0 HD23 LEU A 70 -13.307 6.357 6.867 1.00 65.51 H new ATOM 1207 N ILE A 71 -8.131 6.168 6.765 1.00 43.34 N ATOM 1208 CA ILE A 71 -6.814 6.428 7.384 1.00 11.21 C ATOM 1209 C ILE A 71 -6.521 7.951 7.410 1.00 21.53 C ATOM 1210 O ILE A 71 -5.840 8.447 8.313 1.00 73.04 O ATOM 1211 CB ILE A 71 -5.662 5.678 6.604 1.00 25.52 C ATOM 1212 CG1 ILE A 71 -5.854 4.129 6.652 1.00 23.22 C ATOM 1213 CG2 ILE A 71 -4.273 6.060 7.148 1.00 14.43 C ATOM 1214 CD1 ILE A 71 -4.879 3.337 5.780 1.00 62.03 C ATOM 0 H ILE A 71 -8.070 5.674 5.875 1.00 43.34 H new ATOM 0 HA ILE A 71 -6.845 6.050 8.406 1.00 11.21 H new ATOM 0 HB ILE A 71 -5.722 5.997 5.564 1.00 25.52 H new ATOM 0 HG12 ILE A 71 -5.750 3.795 7.685 1.00 23.22 H new ATOM 0 HG13 ILE A 71 -6.872 3.893 6.342 1.00 23.22 H new ATOM 0 HG21 ILE A 71 -3.504 5.526 6.589 1.00 14.43 H new ATOM 0 HG22 ILE A 71 -4.122 7.134 7.038 1.00 14.43 H new ATOM 0 HG23 ILE A 71 -4.208 5.790 8.202 1.00 14.43 H new ATOM 0 HD11 ILE A 71 -5.087 2.271 5.877 1.00 62.03 H new ATOM 0 HD12 ILE A 71 -4.996 3.637 4.739 1.00 62.03 H new ATOM 0 HD13 ILE A 71 -3.857 3.538 6.102 1.00 62.03 H new ATOM 1226 N SER A 72 -7.065 8.678 6.414 1.00 62.41 N ATOM 1227 CA SER A 72 -6.908 10.136 6.294 1.00 74.40 C ATOM 1228 C SER A 72 -7.606 10.850 7.458 1.00 63.43 C ATOM 1229 O SER A 72 -7.086 11.837 7.990 1.00 45.34 O ATOM 1230 CB SER A 72 -7.467 10.621 4.933 1.00 73.13 C ATOM 1231 OG SER A 72 -7.286 12.019 4.756 1.00 32.25 O ATOM 0 H SER A 72 -7.627 8.266 5.669 1.00 62.41 H new ATOM 0 HA SER A 72 -5.847 10.380 6.338 1.00 74.40 H new ATOM 0 HB2 SER A 72 -6.970 10.085 4.124 1.00 73.13 H new ATOM 0 HB3 SER A 72 -8.528 10.381 4.870 1.00 73.13 H new ATOM 0 HG SER A 72 -7.649 12.288 3.887 1.00 32.25 H new ATOM 1237 N LYS A 73 -8.778 10.315 7.868 1.00 20.32 N ATOM 1238 CA LYS A 73 -9.565 10.883 8.981 1.00 51.55 C ATOM 1239 C LYS A 73 -8.950 10.493 10.344 1.00 23.02 C ATOM 1240 O LYS A 73 -9.333 11.034 11.382 1.00 52.22 O ATOM 1241 CB LYS A 73 -11.055 10.431 8.908 1.00 52.03 C ATOM 1242 CG LYS A 73 -11.716 10.499 7.508 1.00 41.54 C ATOM 1243 CD LYS A 73 -11.507 11.835 6.749 1.00 34.44 C ATOM 1244 CE LYS A 73 -12.194 13.040 7.406 1.00 23.13 C ATOM 1245 NZ LYS A 73 -11.845 14.307 6.698 1.00 3.22 N ATOM 0 H LYS A 73 -9.199 9.489 7.442 1.00 20.32 H new ATOM 0 HA LYS A 73 -9.536 11.968 8.886 1.00 51.55 H new ATOM 0 HB2 LYS A 73 -11.121 9.405 9.270 1.00 52.03 H new ATOM 0 HB3 LYS A 73 -11.636 11.049 9.593 1.00 52.03 H new ATOM 0 HG2 LYS A 73 -11.323 9.686 6.897 1.00 41.54 H new ATOM 0 HG3 LYS A 73 -12.786 10.325 7.619 1.00 41.54 H new ATOM 0 HD2 LYS A 73 -10.438 12.035 6.674 1.00 34.44 H new ATOM 0 HD3 LYS A 73 -11.883 11.726 5.732 1.00 34.44 H new ATOM 0 HE2 LYS A 73 -13.275 12.898 7.394 1.00 23.13 H new ATOM 0 HE3 LYS A 73 -11.894 13.109 8.451 1.00 23.13 H new ATOM 0 HZ1 LYS A 73 -12.322 15.106 7.162 1.00 3.22 H new ATOM 0 HZ2 LYS A 73 -10.816 14.451 6.732 1.00 3.22 H new ATOM 0 HZ3 LYS A 73 -12.154 14.247 5.707 1.00 3.22 H new ATOM 1259 N LEU A 74 -8.013 9.524 10.321 1.00 20.12 N ATOM 1260 CA LEU A 74 -7.252 9.087 11.510 1.00 34.35 C ATOM 1261 C LEU A 74 -5.927 9.872 11.629 1.00 41.21 C ATOM 1262 O LEU A 74 -5.493 10.209 12.738 1.00 13.42 O ATOM 1263 CB LEU A 74 -6.975 7.559 11.417 1.00 43.45 C ATOM 1264 CG LEU A 74 -8.234 6.640 11.350 1.00 35.20 C ATOM 1265 CD1 LEU A 74 -7.842 5.150 11.226 1.00 62.12 C ATOM 1266 CD2 LEU A 74 -9.167 6.888 12.553 1.00 61.51 C ATOM 0 H LEU A 74 -7.761 9.019 9.471 1.00 20.12 H new ATOM 0 HA LEU A 74 -7.843 9.289 12.403 1.00 34.35 H new ATOM 0 HB2 LEU A 74 -6.366 7.373 10.532 1.00 43.45 H new ATOM 0 HB3 LEU A 74 -6.380 7.264 12.281 1.00 43.45 H new ATOM 0 HG LEU A 74 -8.788 6.900 10.448 1.00 35.20 H new ATOM 0 HD11 LEU A 74 -8.744 4.539 11.182 1.00 62.12 H new ATOM 0 HD12 LEU A 74 -7.258 5.002 10.317 1.00 62.12 H new ATOM 0 HD13 LEU A 74 -7.247 4.857 12.091 1.00 62.12 H new ATOM 0 HD21 LEU A 74 -10.036 6.234 12.480 1.00 61.51 H new ATOM 0 HD22 LEU A 74 -8.631 6.678 13.479 1.00 61.51 H new ATOM 0 HD23 LEU A 74 -9.494 7.928 12.551 1.00 61.51 H new ATOM 1278 N GLY A 75 -5.318 10.172 10.468 1.00 42.00 N ATOM 1279 CA GLY A 75 -4.042 10.883 10.396 1.00 11.01 C ATOM 1280 C GLY A 75 -2.826 9.982 10.614 1.00 74.33 C ATOM 1281 O GLY A 75 -2.294 9.911 11.727 1.00 11.41 O ATOM 0 H GLY A 75 -5.702 9.925 9.556 1.00 42.00 H new ATOM 0 HA2 GLY A 75 -3.958 11.363 9.421 1.00 11.01 H new ATOM 0 HA3 GLY A 75 -4.035 11.676 11.144 1.00 11.01 H new ATOM 1285 N TYR A 76 -2.395 9.281 9.545 1.00 73.12 N ATOM 1286 CA TYR A 76 -1.141 8.478 9.537 1.00 41.13 C ATOM 1287 C TYR A 76 -0.335 8.762 8.268 1.00 24.41 C ATOM 1288 O TYR A 76 -0.904 9.130 7.228 1.00 21.42 O ATOM 1289 CB TYR A 76 -1.425 6.951 9.622 1.00 25.11 C ATOM 1290 CG TYR A 76 -2.168 6.516 10.888 1.00 42.34 C ATOM 1291 CD1 TYR A 76 -1.594 6.679 12.152 1.00 30.23 C ATOM 1292 CD2 TYR A 76 -3.446 5.964 10.826 1.00 2.23 C ATOM 1293 CE1 TYR A 76 -2.276 6.313 13.292 1.00 3.12 C ATOM 1294 CE2 TYR A 76 -4.120 5.593 11.960 1.00 13.01 C ATOM 1295 CZ TYR A 76 -3.539 5.772 13.188 1.00 72.14 C ATOM 1296 OH TYR A 76 -4.233 5.426 14.318 1.00 24.24 O ATOM 0 H TYR A 76 -2.902 9.252 8.660 1.00 73.12 H new ATOM 0 HA TYR A 76 -0.571 8.772 10.418 1.00 41.13 H new ATOM 0 HB2 TYR A 76 -2.010 6.653 8.752 1.00 25.11 H new ATOM 0 HB3 TYR A 76 -0.478 6.414 9.568 1.00 25.11 H new ATOM 0 HD1 TYR A 76 -0.602 7.098 12.236 1.00 30.23 H new ATOM 0 HD2 TYR A 76 -3.916 5.826 9.863 1.00 2.23 H new ATOM 0 HE1 TYR A 76 -1.823 6.450 14.263 1.00 3.12 H new ATOM 0 HE2 TYR A 76 -5.107 5.161 11.886 1.00 13.01 H new ATOM 0 HH TYR A 76 -5.177 5.289 14.093 1.00 24.24 H new ATOM 1306 N LYS A 77 0.997 8.580 8.369 1.00 1.14 N ATOM 1307 CA LYS A 77 1.908 8.669 7.221 1.00 61.34 C ATOM 1308 C LYS A 77 1.852 7.351 6.432 1.00 73.01 C ATOM 1309 O LYS A 77 2.367 6.325 6.888 1.00 75.41 O ATOM 1310 CB LYS A 77 3.363 8.970 7.684 1.00 5.12 C ATOM 1311 CG LYS A 77 4.394 9.090 6.533 1.00 20.33 C ATOM 1312 CD LYS A 77 4.068 10.238 5.543 1.00 15.24 C ATOM 1313 CE LYS A 77 5.046 10.294 4.359 1.00 42.41 C ATOM 1314 NZ LYS A 77 4.743 11.420 3.431 1.00 11.13 N ATOM 0 H LYS A 77 1.466 8.368 9.249 1.00 1.14 H new ATOM 0 HA LYS A 77 1.593 9.491 6.579 1.00 61.34 H new ATOM 0 HB2 LYS A 77 3.364 9.899 8.254 1.00 5.12 H new ATOM 0 HB3 LYS A 77 3.685 8.180 8.362 1.00 5.12 H new ATOM 0 HG2 LYS A 77 5.385 9.254 6.956 1.00 20.33 H new ATOM 0 HG3 LYS A 77 4.432 8.147 5.987 1.00 20.33 H new ATOM 0 HD2 LYS A 77 3.054 10.110 5.166 1.00 15.24 H new ATOM 0 HD3 LYS A 77 4.093 11.189 6.075 1.00 15.24 H new ATOM 0 HE2 LYS A 77 6.064 10.399 4.735 1.00 42.41 H new ATOM 0 HE3 LYS A 77 5.005 9.353 3.811 1.00 42.41 H new ATOM 0 HZ1 LYS A 77 5.428 11.419 2.648 1.00 11.13 H new ATOM 0 HZ2 LYS A 77 3.782 11.307 3.050 1.00 11.13 H new ATOM 0 HZ3 LYS A 77 4.808 12.321 3.946 1.00 11.13 H new ATOM 1328 N VAL A 78 1.172 7.379 5.271 1.00 32.32 N ATOM 1329 CA VAL A 78 1.032 6.198 4.402 1.00 63.14 C ATOM 1330 C VAL A 78 1.758 6.414 3.072 1.00 22.34 C ATOM 1331 O VAL A 78 1.590 7.451 2.418 1.00 22.33 O ATOM 1332 CB VAL A 78 -0.472 5.838 4.129 1.00 4.51 C ATOM 1333 CG1 VAL A 78 -0.612 4.496 3.375 1.00 3.30 C ATOM 1334 CG2 VAL A 78 -1.272 5.815 5.439 1.00 33.14 C ATOM 0 H VAL A 78 0.708 8.214 4.912 1.00 32.32 H new ATOM 0 HA VAL A 78 1.487 5.362 4.933 1.00 63.14 H new ATOM 0 HB VAL A 78 -0.884 6.617 3.487 1.00 4.51 H new ATOM 0 HG11 VAL A 78 -1.667 4.282 3.205 1.00 3.30 H new ATOM 0 HG12 VAL A 78 -0.096 4.561 2.417 1.00 3.30 H new ATOM 0 HG13 VAL A 78 -0.171 3.696 3.970 1.00 3.30 H new ATOM 0 HG21 VAL A 78 -2.311 5.564 5.226 1.00 33.14 H new ATOM 0 HG22 VAL A 78 -0.848 5.069 6.111 1.00 33.14 H new ATOM 0 HG23 VAL A 78 -1.226 6.796 5.911 1.00 33.14 H new ATOM 1344 N PHE A 79 2.561 5.418 2.700 1.00 64.45 N ATOM 1345 CA PHE A 79 3.264 5.367 1.421 1.00 63.14 C ATOM 1346 C PHE A 79 2.498 4.416 0.490 1.00 64.43 C ATOM 1347 O PHE A 79 2.398 3.223 0.785 1.00 21.42 O ATOM 1348 CB PHE A 79 4.700 4.835 1.650 1.00 52.34 C ATOM 1349 CG PHE A 79 5.586 5.719 2.534 1.00 61.34 C ATOM 1350 CD1 PHE A 79 6.362 6.731 1.977 1.00 63.12 C ATOM 1351 CD2 PHE A 79 5.658 5.526 3.916 1.00 11.34 C ATOM 1352 CE1 PHE A 79 7.174 7.519 2.767 1.00 3.34 C ATOM 1353 CE2 PHE A 79 6.472 6.319 4.703 1.00 74.20 C ATOM 1354 CZ PHE A 79 7.231 7.313 4.127 1.00 70.05 C ATOM 0 H PHE A 79 2.744 4.608 3.292 1.00 64.45 H new ATOM 0 HA PHE A 79 3.321 6.360 0.974 1.00 63.14 H new ATOM 0 HB2 PHE A 79 4.637 3.845 2.101 1.00 52.34 H new ATOM 0 HB3 PHE A 79 5.185 4.714 0.681 1.00 52.34 H new ATOM 0 HD1 PHE A 79 6.328 6.902 0.911 1.00 63.12 H new ATOM 0 HD2 PHE A 79 5.069 4.746 4.376 1.00 11.34 H new ATOM 0 HE1 PHE A 79 7.767 8.301 2.316 1.00 3.34 H new ATOM 0 HE2 PHE A 79 6.513 6.159 5.770 1.00 74.20 H new ATOM 0 HZ PHE A 79 7.870 7.930 4.741 1.00 70.05 H new ATOM 1364 N LEU A 80 1.946 4.935 -0.615 1.00 14.21 N ATOM 1365 CA LEU A 80 1.156 4.120 -1.560 1.00 41.45 C ATOM 1366 C LEU A 80 2.013 3.693 -2.767 1.00 32.44 C ATOM 1367 O LEU A 80 2.743 4.502 -3.349 1.00 30.25 O ATOM 1368 CB LEU A 80 -0.119 4.872 -2.042 1.00 60.32 C ATOM 1369 CG LEU A 80 -1.028 4.086 -3.059 1.00 24.33 C ATOM 1370 CD1 LEU A 80 -1.471 2.723 -2.500 1.00 0.45 C ATOM 1371 CD2 LEU A 80 -2.248 4.917 -3.492 1.00 1.13 C ATOM 0 H LEU A 80 2.030 5.916 -0.880 1.00 14.21 H new ATOM 0 HA LEU A 80 0.835 3.226 -1.025 1.00 41.45 H new ATOM 0 HB2 LEU A 80 -0.719 5.129 -1.169 1.00 60.32 H new ATOM 0 HB3 LEU A 80 0.187 5.810 -2.506 1.00 60.32 H new ATOM 0 HG LEU A 80 -0.417 3.900 -3.942 1.00 24.33 H new ATOM 0 HD11 LEU A 80 -2.096 2.215 -3.234 1.00 0.45 H new ATOM 0 HD12 LEU A 80 -0.592 2.114 -2.288 1.00 0.45 H new ATOM 0 HD13 LEU A 80 -2.039 2.873 -1.582 1.00 0.45 H new ATOM 0 HD21 LEU A 80 -2.851 4.340 -4.194 1.00 1.13 H new ATOM 0 HD22 LEU A 80 -2.848 5.165 -2.617 1.00 1.13 H new ATOM 0 HD23 LEU A 80 -1.911 5.835 -3.973 1.00 1.13 H new ATOM 1383 N LEU A 81 1.902 2.404 -3.123 1.00 5.54 N ATOM 1384 CA LEU A 81 2.486 1.841 -4.340 1.00 71.40 C ATOM 1385 C LEU A 81 1.371 1.221 -5.174 1.00 61.40 C ATOM 1386 O LEU A 81 0.591 0.404 -4.672 1.00 73.32 O ATOM 1387 CB LEU A 81 3.551 0.758 -4.026 1.00 2.30 C ATOM 1388 CG LEU A 81 4.334 0.203 -5.270 1.00 13.42 C ATOM 1389 CD1 LEU A 81 4.971 1.343 -6.094 1.00 3.33 C ATOM 1390 CD2 LEU A 81 5.394 -0.839 -4.848 1.00 11.14 C ATOM 0 H LEU A 81 1.396 1.718 -2.563 1.00 5.54 H new ATOM 0 HA LEU A 81 2.982 2.645 -4.884 1.00 71.40 H new ATOM 0 HB2 LEU A 81 4.271 1.174 -3.321 1.00 2.30 H new ATOM 0 HB3 LEU A 81 3.060 -0.076 -3.525 1.00 2.30 H new ATOM 0 HG LEU A 81 3.610 -0.300 -5.911 1.00 13.42 H new ATOM 0 HD11 LEU A 81 5.504 0.922 -6.946 1.00 3.33 H new ATOM 0 HD12 LEU A 81 4.190 2.015 -6.450 1.00 3.33 H new ATOM 0 HD13 LEU A 81 5.669 1.898 -5.468 1.00 3.33 H new ATOM 0 HD21 LEU A 81 5.918 -1.203 -5.732 1.00 11.14 H new ATOM 0 HD22 LEU A 81 6.109 -0.376 -4.168 1.00 11.14 H new ATOM 0 HD23 LEU A 81 4.904 -1.674 -4.347 1.00 11.14 H new ATOM 1402 N LEU A 82 1.277 1.638 -6.435 1.00 32.41 N ATOM 1403 CA LEU A 82 0.392 1.022 -7.418 1.00 50.40 C ATOM 1404 C LEU A 82 1.253 0.279 -8.454 1.00 53.13 C ATOM 1405 O LEU A 82 2.092 0.902 -9.124 1.00 2.25 O ATOM 1406 CB LEU A 82 -0.488 2.110 -8.092 1.00 72.30 C ATOM 1407 CG LEU A 82 -1.415 2.931 -7.142 1.00 12.14 C ATOM 1408 CD1 LEU A 82 -2.196 4.005 -7.920 1.00 74.32 C ATOM 1409 CD2 LEU A 82 -2.366 2.007 -6.358 1.00 2.23 C ATOM 0 H LEU A 82 1.818 2.420 -6.805 1.00 32.41 H new ATOM 0 HA LEU A 82 -0.276 0.309 -6.935 1.00 50.40 H new ATOM 0 HB2 LEU A 82 0.168 2.805 -8.616 1.00 72.30 H new ATOM 0 HB3 LEU A 82 -1.110 1.629 -8.846 1.00 72.30 H new ATOM 0 HG LEU A 82 -0.780 3.443 -6.418 1.00 12.14 H new ATOM 0 HD11 LEU A 82 -2.833 4.561 -7.232 1.00 74.32 H new ATOM 0 HD12 LEU A 82 -1.495 4.689 -8.399 1.00 74.32 H new ATOM 0 HD13 LEU A 82 -2.813 3.527 -8.680 1.00 74.32 H new ATOM 0 HD21 LEU A 82 -2.999 2.607 -5.705 1.00 2.23 H new ATOM 0 HD22 LEU A 82 -2.990 1.450 -7.057 1.00 2.23 H new ATOM 0 HD23 LEU A 82 -1.782 1.310 -5.757 1.00 2.23 H new ATOM 1421 N GLN A 83 1.105 -1.057 -8.520 1.00 72.14 N ATOM 1422 CA GLN A 83 1.705 -1.873 -9.577 1.00 21.31 C ATOM 1423 C GLN A 83 0.622 -2.188 -10.601 1.00 54.01 C ATOM 1424 O GLN A 83 -0.275 -3.010 -10.353 1.00 32.04 O ATOM 1425 CB GLN A 83 2.336 -3.188 -9.039 1.00 42.52 C ATOM 1426 CG GLN A 83 3.130 -3.975 -10.119 1.00 51.41 C ATOM 1427 CD GLN A 83 3.651 -5.342 -9.682 1.00 33.34 C ATOM 1428 OE1 GLN A 83 3.895 -5.587 -8.501 1.00 24.04 O ATOM 1429 NE2 GLN A 83 3.842 -6.236 -10.647 1.00 61.14 N ATOM 0 H GLN A 83 0.566 -1.595 -7.841 1.00 72.14 H new ATOM 0 HA GLN A 83 2.520 -1.308 -10.029 1.00 21.31 H new ATOM 0 HB2 GLN A 83 3.002 -2.951 -8.209 1.00 42.52 H new ATOM 0 HB3 GLN A 83 1.546 -3.826 -8.642 1.00 42.52 H new ATOM 0 HG2 GLN A 83 2.489 -4.111 -10.990 1.00 51.41 H new ATOM 0 HG3 GLN A 83 3.977 -3.367 -10.438 1.00 51.41 H new ATOM 0 HE21 GLN A 83 3.628 -5.995 -11.615 1.00 61.14 H new ATOM 0 HE22 GLN A 83 4.203 -7.163 -10.420 1.00 61.14 H new ATOM 1438 N ASP A 84 0.694 -1.490 -11.727 1.00 54.24 N ATOM 1439 CA ASP A 84 -0.197 -1.681 -12.867 1.00 54.13 C ATOM 1440 C ASP A 84 0.676 -1.639 -14.114 1.00 31.31 C ATOM 1441 O ASP A 84 1.313 -0.617 -14.389 1.00 43.53 O ATOM 1442 CB ASP A 84 -1.277 -0.573 -12.927 1.00 22.45 C ATOM 1443 CG ASP A 84 -2.245 -0.576 -11.736 1.00 62.33 C ATOM 1444 OD1 ASP A 84 -1.968 0.093 -10.709 1.00 34.31 O ATOM 1445 OD2 ASP A 84 -3.305 -1.230 -11.822 1.00 1.14 O ATOM 0 H ASP A 84 1.389 -0.759 -11.878 1.00 54.24 H new ATOM 0 HA ASP A 84 -0.725 -2.631 -12.784 1.00 54.13 H new ATOM 0 HB2 ASP A 84 -0.784 0.398 -12.978 1.00 22.45 H new ATOM 0 HB3 ASP A 84 -1.850 -0.688 -13.847 1.00 22.45 H new ATOM 1450 N GLN A 85 0.711 -2.747 -14.860 1.00 10.41 N ATOM 1451 CA GLN A 85 1.555 -2.886 -16.054 1.00 2.43 C ATOM 1452 C GLN A 85 1.020 -1.992 -17.203 1.00 70.55 C ATOM 1453 O GLN A 85 1.759 -1.632 -18.127 1.00 62.21 O ATOM 1454 CB GLN A 85 1.628 -4.387 -16.437 1.00 53.00 C ATOM 1455 CG GLN A 85 2.566 -4.734 -17.606 1.00 73.41 C ATOM 1456 CD GLN A 85 2.615 -6.239 -17.902 1.00 24.03 C ATOM 1457 OE1 GLN A 85 1.810 -6.758 -18.672 1.00 44.25 O ATOM 1458 NE2 GLN A 85 3.552 -6.949 -17.290 1.00 21.24 N ATOM 0 H GLN A 85 0.154 -3.576 -14.654 1.00 10.41 H new ATOM 0 HA GLN A 85 2.569 -2.541 -15.851 1.00 2.43 H new ATOM 0 HB2 GLN A 85 1.946 -4.951 -15.560 1.00 53.00 H new ATOM 0 HB3 GLN A 85 0.624 -4.728 -16.688 1.00 53.00 H new ATOM 0 HG2 GLN A 85 2.237 -4.203 -18.499 1.00 73.41 H new ATOM 0 HG3 GLN A 85 3.571 -4.380 -17.377 1.00 73.41 H new ATOM 0 HE21 GLN A 85 4.207 -6.491 -16.656 1.00 21.24 H new ATOM 0 HE22 GLN A 85 3.619 -7.954 -17.453 1.00 21.24 H new ATOM 1467 N ASP A 86 -0.266 -1.592 -17.091 1.00 53.22 N ATOM 1468 CA ASP A 86 -0.894 -0.611 -17.994 1.00 32.35 C ATOM 1469 C ASP A 86 -0.787 0.780 -17.347 1.00 53.13 C ATOM 1470 O ASP A 86 -1.398 1.018 -16.300 1.00 2.33 O ATOM 1471 CB ASP A 86 -2.391 -0.948 -18.238 1.00 72.12 C ATOM 1472 CG ASP A 86 -2.606 -2.321 -18.889 1.00 34.42 C ATOM 1473 OD1 ASP A 86 -2.366 -2.453 -20.105 1.00 32.30 O ATOM 1474 OD2 ASP A 86 -3.015 -3.276 -18.190 1.00 32.43 O ATOM 0 H ASP A 86 -0.896 -1.943 -16.370 1.00 53.22 H new ATOM 0 HA ASP A 86 -0.381 -0.635 -18.955 1.00 32.35 H new ATOM 0 HB2 ASP A 86 -2.923 -0.917 -17.287 1.00 72.12 H new ATOM 0 HB3 ASP A 86 -2.830 -0.179 -18.874 1.00 72.12 H new ATOM 1479 N GLU A 87 -0.005 1.691 -17.968 1.00 22.52 N ATOM 1480 CA GLU A 87 0.197 3.058 -17.446 1.00 73.21 C ATOM 1481 C GLU A 87 -1.022 3.965 -17.701 1.00 12.10 C ATOM 1482 O GLU A 87 -1.064 5.087 -17.201 1.00 52.15 O ATOM 1483 CB GLU A 87 1.493 3.695 -18.004 1.00 0.31 C ATOM 1484 CG GLU A 87 2.771 2.882 -17.702 1.00 73.34 C ATOM 1485 CD GLU A 87 4.067 3.671 -17.941 1.00 34.43 C ATOM 1486 OE1 GLU A 87 4.372 3.991 -19.107 1.00 63.21 O ATOM 1487 OE2 GLU A 87 4.770 4.001 -16.963 1.00 30.34 O ATOM 0 H GLU A 87 0.498 1.501 -18.835 1.00 22.52 H new ATOM 0 HA GLU A 87 0.309 2.966 -16.366 1.00 73.21 H new ATOM 0 HB2 GLU A 87 1.394 3.810 -19.083 1.00 0.31 H new ATOM 0 HB3 GLU A 87 1.604 4.696 -17.586 1.00 0.31 H new ATOM 0 HG2 GLU A 87 2.744 2.548 -16.665 1.00 73.34 H new ATOM 0 HG3 GLU A 87 2.779 1.987 -18.325 1.00 73.34 H new ATOM 1494 N ASN A 88 -2.007 3.467 -18.470 1.00 35.32 N ATOM 1495 CA ASN A 88 -3.326 4.117 -18.602 1.00 32.00 C ATOM 1496 C ASN A 88 -4.078 3.998 -17.266 1.00 23.41 C ATOM 1497 O ASN A 88 -4.566 4.990 -16.718 1.00 2.43 O ATOM 1498 CB ASN A 88 -4.165 3.481 -19.751 1.00 14.42 C ATOM 1499 CG ASN A 88 -3.526 3.611 -21.137 1.00 55.32 C ATOM 1500 OD1 ASN A 88 -2.770 4.550 -21.419 1.00 23.23 O ATOM 1501 ND2 ASN A 88 -3.851 2.681 -22.023 1.00 21.32 N ATOM 0 H ASN A 88 -1.914 2.609 -19.014 1.00 35.32 H new ATOM 0 HA ASN A 88 -3.174 5.167 -18.853 1.00 32.00 H new ATOM 0 HB2 ASN A 88 -4.320 2.425 -19.532 1.00 14.42 H new ATOM 0 HB3 ASN A 88 -5.149 3.950 -19.771 1.00 14.42 H new ATOM 0 HD21 ASN A 88 -3.475 2.726 -22.970 1.00 21.32 H new ATOM 0 HD22 ASN A 88 -4.477 1.920 -21.758 1.00 21.32 H new ATOM 1508 N GLU A 89 -4.102 2.766 -16.732 1.00 11.34 N ATOM 1509 CA GLU A 89 -4.801 2.434 -15.482 1.00 73.33 C ATOM 1510 C GLU A 89 -4.019 2.957 -14.269 1.00 74.34 C ATOM 1511 O GLU A 89 -4.602 3.441 -13.292 1.00 22.44 O ATOM 1512 CB GLU A 89 -4.987 0.901 -15.389 1.00 13.33 C ATOM 1513 CG GLU A 89 -5.618 0.263 -16.643 1.00 24.21 C ATOM 1514 CD GLU A 89 -6.973 0.879 -17.029 1.00 21.40 C ATOM 1515 OE1 GLU A 89 -7.994 0.526 -16.399 1.00 4.42 O ATOM 1516 OE2 GLU A 89 -7.023 1.720 -17.962 1.00 52.34 O ATOM 0 H GLU A 89 -3.633 1.967 -17.159 1.00 11.34 H new ATOM 0 HA GLU A 89 -5.779 2.914 -15.482 1.00 73.33 H new ATOM 0 HB2 GLU A 89 -4.016 0.439 -15.209 1.00 13.33 H new ATOM 0 HB3 GLU A 89 -5.613 0.674 -14.526 1.00 13.33 H new ATOM 0 HG2 GLU A 89 -4.928 0.368 -17.481 1.00 24.21 H new ATOM 0 HG3 GLU A 89 -5.749 -0.805 -16.470 1.00 24.21 H new ATOM 1523 N LEU A 90 -2.686 2.870 -14.385 1.00 5.34 N ATOM 1524 CA LEU A 90 -1.731 3.291 -13.359 1.00 74.23 C ATOM 1525 C LEU A 90 -1.825 4.804 -13.115 1.00 32.44 C ATOM 1526 O LEU A 90 -2.054 5.226 -11.984 1.00 23.43 O ATOM 1527 CB LEU A 90 -0.308 2.876 -13.821 1.00 71.01 C ATOM 1528 CG LEU A 90 0.892 3.156 -12.871 1.00 74.13 C ATOM 1529 CD1 LEU A 90 0.598 2.704 -11.436 1.00 73.23 C ATOM 1530 CD2 LEU A 90 2.179 2.489 -13.417 1.00 13.31 C ATOM 0 H LEU A 90 -2.234 2.494 -15.219 1.00 5.34 H new ATOM 0 HA LEU A 90 -1.960 2.805 -12.411 1.00 74.23 H new ATOM 0 HB2 LEU A 90 -0.325 1.806 -14.027 1.00 71.01 H new ATOM 0 HB3 LEU A 90 -0.107 3.379 -14.767 1.00 71.01 H new ATOM 0 HG LEU A 90 1.049 4.234 -12.839 1.00 74.13 H new ATOM 0 HD11 LEU A 90 1.460 2.917 -10.804 1.00 73.23 H new ATOM 0 HD12 LEU A 90 -0.272 3.241 -11.056 1.00 73.23 H new ATOM 0 HD13 LEU A 90 0.396 1.633 -11.426 1.00 73.23 H new ATOM 0 HD21 LEU A 90 3.010 2.694 -12.742 1.00 13.31 H new ATOM 0 HD22 LEU A 90 2.028 1.412 -13.490 1.00 13.31 H new ATOM 0 HD23 LEU A 90 2.406 2.891 -14.404 1.00 13.31 H new ATOM 1542 N GLU A 91 -1.692 5.600 -14.199 1.00 65.11 N ATOM 1543 CA GLU A 91 -1.667 7.075 -14.121 1.00 4.40 C ATOM 1544 C GLU A 91 -2.992 7.655 -13.601 1.00 73.53 C ATOM 1545 O GLU A 91 -2.975 8.477 -12.681 1.00 3.30 O ATOM 1546 CB GLU A 91 -1.335 7.657 -15.513 1.00 53.41 C ATOM 1547 CG GLU A 91 -1.274 9.197 -15.608 1.00 53.42 C ATOM 1548 CD GLU A 91 -0.303 9.844 -14.608 1.00 75.31 C ATOM 1549 OE1 GLU A 91 0.913 9.518 -14.636 1.00 1.24 O ATOM 1550 OE2 GLU A 91 -0.741 10.700 -13.801 1.00 30.42 O ATOM 0 H GLU A 91 -1.599 5.239 -15.148 1.00 65.11 H new ATOM 0 HA GLU A 91 -0.895 7.359 -13.406 1.00 4.40 H new ATOM 0 HB2 GLU A 91 -0.373 7.255 -15.833 1.00 53.41 H new ATOM 0 HB3 GLU A 91 -2.082 7.299 -16.222 1.00 53.41 H new ATOM 0 HG2 GLU A 91 -0.979 9.478 -16.619 1.00 53.42 H new ATOM 0 HG3 GLU A 91 -2.273 9.601 -15.443 1.00 53.42 H new ATOM 1557 N GLU A 92 -4.122 7.230 -14.202 1.00 23.25 N ATOM 1558 CA GLU A 92 -5.463 7.705 -13.803 1.00 34.31 C ATOM 1559 C GLU A 92 -5.713 7.512 -12.300 1.00 41.04 C ATOM 1560 O GLU A 92 -6.037 8.466 -11.596 1.00 11.54 O ATOM 1561 CB GLU A 92 -6.567 6.989 -14.620 1.00 53.41 C ATOM 1562 CG GLU A 92 -6.650 7.431 -16.089 1.00 41.50 C ATOM 1563 CD GLU A 92 -7.049 8.913 -16.255 1.00 52.00 C ATOM 1564 OE1 GLU A 92 -8.264 9.216 -16.226 1.00 62.14 O ATOM 1565 OE2 GLU A 92 -6.158 9.779 -16.403 1.00 22.12 O ATOM 0 H GLU A 92 -4.132 6.556 -14.968 1.00 23.25 H new ATOM 0 HA GLU A 92 -5.501 8.773 -14.016 1.00 34.31 H new ATOM 0 HB2 GLU A 92 -6.390 5.914 -14.585 1.00 53.41 H new ATOM 0 HB3 GLU A 92 -7.531 7.169 -14.143 1.00 53.41 H new ATOM 0 HG2 GLU A 92 -5.684 7.265 -16.567 1.00 41.50 H new ATOM 0 HG3 GLU A 92 -7.375 6.805 -16.610 1.00 41.50 H new ATOM 1572 N PHE A 93 -5.504 6.279 -11.827 1.00 14.43 N ATOM 1573 CA PHE A 93 -5.780 5.892 -10.439 1.00 75.42 C ATOM 1574 C PHE A 93 -4.752 6.525 -9.468 1.00 51.05 C ATOM 1575 O PHE A 93 -5.078 6.807 -8.308 1.00 3.41 O ATOM 1576 CB PHE A 93 -5.793 4.348 -10.342 1.00 13.22 C ATOM 1577 CG PHE A 93 -6.378 3.783 -9.053 1.00 42.04 C ATOM 1578 CD1 PHE A 93 -7.720 3.982 -8.744 1.00 65.31 C ATOM 1579 CD2 PHE A 93 -5.599 3.047 -8.157 1.00 40.34 C ATOM 1580 CE1 PHE A 93 -8.259 3.471 -7.583 1.00 54.21 C ATOM 1581 CE2 PHE A 93 -6.142 2.539 -6.997 1.00 43.31 C ATOM 1582 CZ PHE A 93 -7.471 2.753 -6.710 1.00 52.21 C ATOM 0 H PHE A 93 -5.137 5.518 -12.398 1.00 14.43 H new ATOM 0 HA PHE A 93 -6.758 6.270 -10.141 1.00 75.42 H new ATOM 0 HB2 PHE A 93 -6.361 3.952 -11.184 1.00 13.22 H new ATOM 0 HB3 PHE A 93 -4.771 3.985 -10.448 1.00 13.22 H new ATOM 0 HD1 PHE A 93 -8.346 4.543 -9.422 1.00 65.31 H new ATOM 0 HD2 PHE A 93 -4.556 2.874 -8.377 1.00 40.34 H new ATOM 0 HE1 PHE A 93 -9.302 3.634 -7.357 1.00 54.21 H new ATOM 0 HE2 PHE A 93 -5.526 1.974 -6.314 1.00 43.31 H new ATOM 0 HZ PHE A 93 -7.897 2.358 -5.800 1.00 52.21 H new ATOM 1592 N LYS A 94 -3.521 6.766 -9.976 1.00 11.42 N ATOM 1593 CA LYS A 94 -2.438 7.419 -9.210 1.00 61.41 C ATOM 1594 C LYS A 94 -2.814 8.869 -8.857 1.00 14.23 C ATOM 1595 O LYS A 94 -2.893 9.233 -7.679 1.00 5.05 O ATOM 1596 CB LYS A 94 -1.106 7.428 -10.022 1.00 44.23 C ATOM 1597 CG LYS A 94 0.112 8.032 -9.271 1.00 30.31 C ATOM 1598 CD LYS A 94 1.203 8.573 -10.217 1.00 10.30 C ATOM 1599 CE LYS A 94 0.731 9.800 -11.007 1.00 64.41 C ATOM 1600 NZ LYS A 94 1.780 10.315 -11.932 1.00 11.25 N ATOM 0 H LYS A 94 -3.253 6.513 -10.927 1.00 11.42 H new ATOM 0 HA LYS A 94 -2.299 6.846 -8.294 1.00 61.41 H new ATOM 0 HB2 LYS A 94 -0.866 6.405 -10.310 1.00 44.23 H new ATOM 0 HB3 LYS A 94 -1.262 7.990 -10.943 1.00 44.23 H new ATOM 0 HG2 LYS A 94 -0.232 8.839 -8.625 1.00 30.31 H new ATOM 0 HG3 LYS A 94 0.546 7.269 -8.625 1.00 30.31 H new ATOM 0 HD2 LYS A 94 2.087 8.836 -9.636 1.00 10.30 H new ATOM 0 HD3 LYS A 94 1.500 7.788 -10.912 1.00 10.30 H new ATOM 0 HE2 LYS A 94 -0.159 9.540 -11.580 1.00 64.41 H new ATOM 0 HE3 LYS A 94 0.444 10.589 -10.312 1.00 64.41 H new ATOM 0 HZ1 LYS A 94 1.763 11.355 -11.931 1.00 11.25 H new ATOM 0 HZ2 LYS A 94 2.714 9.983 -11.617 1.00 11.25 H new ATOM 0 HZ3 LYS A 94 1.596 9.967 -12.894 1.00 11.25 H new ATOM 1614 N ARG A 95 -3.074 9.662 -9.915 1.00 5.31 N ATOM 1615 CA ARG A 95 -3.263 11.122 -9.829 1.00 21.43 C ATOM 1616 C ARG A 95 -4.506 11.520 -9.007 1.00 23.55 C ATOM 1617 O ARG A 95 -4.572 12.635 -8.477 1.00 52.44 O ATOM 1618 CB ARG A 95 -3.289 11.728 -11.256 1.00 55.22 C ATOM 1619 CG ARG A 95 -4.477 11.287 -12.140 1.00 50.24 C ATOM 1620 CD ARG A 95 -4.293 11.665 -13.622 1.00 42.44 C ATOM 1621 NE ARG A 95 -4.134 13.120 -13.828 1.00 43.15 N ATOM 1622 CZ ARG A 95 -3.099 13.710 -14.459 1.00 41.31 C ATOM 1623 NH1 ARG A 95 -2.091 12.984 -14.957 1.00 44.41 N ATOM 1624 NH2 ARG A 95 -3.094 15.031 -14.604 1.00 22.24 N ATOM 0 H ARG A 95 -3.160 9.301 -10.865 1.00 5.31 H new ATOM 0 HA ARG A 95 -2.415 11.538 -9.285 1.00 21.43 H new ATOM 0 HB2 ARG A 95 -3.305 12.815 -11.171 1.00 55.22 H new ATOM 0 HB3 ARG A 95 -2.362 11.461 -11.763 1.00 55.22 H new ATOM 0 HG2 ARG A 95 -4.603 10.207 -12.058 1.00 50.24 H new ATOM 0 HG3 ARG A 95 -5.392 11.744 -11.764 1.00 50.24 H new ATOM 0 HD2 ARG A 95 -3.418 11.149 -14.018 1.00 42.44 H new ATOM 0 HD3 ARG A 95 -5.154 11.314 -14.191 1.00 42.44 H new ATOM 0 HE ARG A 95 -4.867 13.727 -13.463 1.00 43.15 H new ATOM 0 HH11 ARG A 95 -2.098 11.968 -14.862 1.00 44.41 H new ATOM 0 HH12 ARG A 95 -1.315 13.446 -15.432 1.00 44.41 H new ATOM 0 HH21 ARG A 95 -3.868 15.587 -14.240 1.00 22.24 H new ATOM 0 HH22 ARG A 95 -2.316 15.489 -15.080 1.00 22.24 H new ATOM 1638 N LYS A 96 -5.474 10.597 -8.906 1.00 40.33 N ATOM 1639 CA LYS A 96 -6.642 10.740 -8.010 1.00 42.15 C ATOM 1640 C LYS A 96 -6.187 10.882 -6.535 1.00 42.52 C ATOM 1641 O LYS A 96 -6.519 11.849 -5.843 1.00 65.13 O ATOM 1642 CB LYS A 96 -7.575 9.499 -8.159 1.00 52.30 C ATOM 1643 CG LYS A 96 -8.196 9.320 -9.560 1.00 53.25 C ATOM 1644 CD LYS A 96 -8.927 7.964 -9.745 1.00 14.43 C ATOM 1645 CE LYS A 96 -9.357 7.727 -11.208 1.00 4.24 C ATOM 1646 NZ LYS A 96 -10.245 8.806 -11.719 1.00 21.32 N ATOM 0 H LYS A 96 -5.473 9.729 -9.441 1.00 40.33 H new ATOM 0 HA LYS A 96 -7.188 11.641 -8.291 1.00 42.15 H new ATOM 0 HB2 LYS A 96 -7.006 8.603 -7.912 1.00 52.30 H new ATOM 0 HB3 LYS A 96 -8.380 9.577 -7.428 1.00 52.30 H new ATOM 0 HG2 LYS A 96 -8.901 10.131 -9.743 1.00 53.25 H new ATOM 0 HG3 LYS A 96 -7.410 9.405 -10.311 1.00 53.25 H new ATOM 0 HD2 LYS A 96 -8.272 7.154 -9.425 1.00 14.43 H new ATOM 0 HD3 LYS A 96 -9.806 7.936 -9.101 1.00 14.43 H new ATOM 0 HE2 LYS A 96 -8.470 7.661 -11.838 1.00 4.24 H new ATOM 0 HE3 LYS A 96 -9.873 6.770 -11.282 1.00 4.24 H new ATOM 0 HZ1 LYS A 96 -10.562 8.569 -12.681 1.00 21.32 H new ATOM 0 HZ2 LYS A 96 -11.072 8.899 -11.095 1.00 21.32 H new ATOM 0 HZ3 LYS A 96 -9.723 9.705 -11.738 1.00 21.32 H new ATOM 1660 N ILE A 97 -5.387 9.907 -6.097 1.00 44.53 N ATOM 1661 CA ILE A 97 -4.969 9.739 -4.691 1.00 45.04 C ATOM 1662 C ILE A 97 -3.711 10.592 -4.380 1.00 71.40 C ATOM 1663 O ILE A 97 -3.389 10.860 -3.212 1.00 15.21 O ATOM 1664 CB ILE A 97 -4.718 8.208 -4.424 1.00 21.22 C ATOM 1665 CG1 ILE A 97 -5.933 7.368 -4.958 1.00 21.42 C ATOM 1666 CG2 ILE A 97 -4.466 7.927 -2.924 1.00 31.32 C ATOM 1667 CD1 ILE A 97 -5.681 5.878 -5.076 1.00 2.55 C ATOM 0 H ILE A 97 -5.001 9.195 -6.717 1.00 44.53 H new ATOM 0 HA ILE A 97 -5.756 10.093 -4.024 1.00 45.04 H new ATOM 0 HB ILE A 97 -3.818 7.909 -4.962 1.00 21.22 H new ATOM 0 HG12 ILE A 97 -6.783 7.526 -4.295 1.00 21.42 H new ATOM 0 HG13 ILE A 97 -6.218 7.752 -5.938 1.00 21.42 H new ATOM 0 HG21 ILE A 97 -4.297 6.860 -2.777 1.00 31.32 H new ATOM 0 HG22 ILE A 97 -3.589 8.483 -2.592 1.00 31.32 H new ATOM 0 HG23 ILE A 97 -5.334 8.240 -2.344 1.00 31.32 H new ATOM 0 HD11 ILE A 97 -6.578 5.386 -5.453 1.00 2.55 H new ATOM 0 HD12 ILE A 97 -4.854 5.702 -5.764 1.00 2.55 H new ATOM 0 HD13 ILE A 97 -5.429 5.473 -4.096 1.00 2.55 H new ATOM 1679 N GLU A 98 -3.029 11.030 -5.455 1.00 12.52 N ATOM 1680 CA GLU A 98 -1.870 11.944 -5.394 1.00 14.34 C ATOM 1681 C GLU A 98 -2.267 13.259 -4.691 1.00 33.13 C ATOM 1682 O GLU A 98 -1.510 13.806 -3.879 1.00 33.32 O ATOM 1683 CB GLU A 98 -1.385 12.221 -6.843 1.00 2.44 C ATOM 1684 CG GLU A 98 -0.194 13.198 -6.996 1.00 43.34 C ATOM 1685 CD GLU A 98 1.127 12.698 -6.382 1.00 42.22 C ATOM 1686 OE1 GLU A 98 1.541 11.559 -6.687 1.00 53.32 O ATOM 1687 OE2 GLU A 98 1.780 13.461 -5.634 1.00 73.42 O ATOM 0 H GLU A 98 -3.271 10.755 -6.407 1.00 12.52 H new ATOM 0 HA GLU A 98 -1.063 11.488 -4.820 1.00 14.34 H new ATOM 0 HB2 GLU A 98 -1.107 11.270 -7.298 1.00 2.44 H new ATOM 0 HB3 GLU A 98 -2.225 12.615 -7.415 1.00 2.44 H new ATOM 0 HG2 GLU A 98 -0.035 13.394 -8.056 1.00 43.34 H new ATOM 0 HG3 GLU A 98 -0.458 14.148 -6.532 1.00 43.34 H new ATOM 1694 N SER A 99 -3.501 13.707 -4.978 1.00 1.54 N ATOM 1695 CA SER A 99 -4.068 14.933 -4.415 1.00 10.24 C ATOM 1696 C SER A 99 -4.424 14.752 -2.923 1.00 12.12 C ATOM 1697 O SER A 99 -4.421 15.723 -2.164 1.00 24.31 O ATOM 1698 CB SER A 99 -5.320 15.342 -5.219 1.00 12.33 C ATOM 1699 OG SER A 99 -5.832 16.592 -4.782 1.00 54.14 O ATOM 0 H SER A 99 -4.134 13.221 -5.613 1.00 1.54 H new ATOM 0 HA SER A 99 -3.319 15.722 -4.484 1.00 10.24 H new ATOM 0 HB2 SER A 99 -5.071 15.400 -6.279 1.00 12.33 H new ATOM 0 HB3 SER A 99 -6.088 14.576 -5.114 1.00 12.33 H new ATOM 0 HG SER A 99 -6.623 16.824 -5.311 1.00 54.14 H new ATOM 1705 N GLN A 100 -4.698 13.490 -2.507 1.00 5.04 N ATOM 1706 CA GLN A 100 -5.122 13.156 -1.119 1.00 54.24 C ATOM 1707 C GLN A 100 -3.952 13.184 -0.104 1.00 51.22 C ATOM 1708 O GLN A 100 -4.131 12.775 1.053 1.00 13.11 O ATOM 1709 CB GLN A 100 -5.827 11.768 -1.083 1.00 41.42 C ATOM 1710 CG GLN A 100 -7.132 11.693 -1.903 1.00 41.53 C ATOM 1711 CD GLN A 100 -7.876 10.356 -1.763 1.00 72.21 C ATOM 1712 OE1 GLN A 100 -7.274 9.302 -1.569 1.00 11.04 O ATOM 1713 NE2 GLN A 100 -9.197 10.395 -1.858 1.00 70.00 N ATOM 0 H GLN A 100 -4.632 12.677 -3.119 1.00 5.04 H new ATOM 0 HA GLN A 100 -5.824 13.932 -0.816 1.00 54.24 H new ATOM 0 HB2 GLN A 100 -5.135 11.013 -1.455 1.00 41.42 H new ATOM 0 HB3 GLN A 100 -6.049 11.514 -0.047 1.00 41.42 H new ATOM 0 HG2 GLN A 100 -7.794 12.501 -1.590 1.00 41.53 H new ATOM 0 HG3 GLN A 100 -6.900 11.860 -2.955 1.00 41.53 H new ATOM 0 HE21 GLN A 100 -9.671 11.284 -2.019 1.00 70.00 H new ATOM 0 HE22 GLN A 100 -9.740 9.536 -1.770 1.00 70.00 H new ATOM 1722 N GLY A 101 -2.763 13.658 -0.539 1.00 14.44 N ATOM 1723 CA GLY A 101 -1.619 13.865 0.366 1.00 32.13 C ATOM 1724 C GLY A 101 -0.744 12.635 0.543 1.00 71.14 C ATOM 1725 O GLY A 101 0.313 12.709 1.181 1.00 42.13 O ATOM 0 H GLY A 101 -2.575 13.903 -1.511 1.00 14.44 H new ATOM 0 HA2 GLY A 101 -1.008 14.682 -0.018 1.00 32.13 H new ATOM 0 HA3 GLY A 101 -1.992 14.177 1.342 1.00 32.13 H new ATOM 1729 N TYR A 102 -1.193 11.505 -0.017 1.00 62.30 N ATOM 1730 CA TYR A 102 -0.468 10.234 0.034 1.00 12.42 C ATOM 1731 C TYR A 102 0.576 10.189 -1.071 1.00 74.42 C ATOM 1732 O TYR A 102 0.283 10.574 -2.207 1.00 62.42 O ATOM 1733 CB TYR A 102 -1.464 9.053 -0.089 1.00 35.12 C ATOM 1734 CG TYR A 102 -2.357 8.914 1.144 1.00 4.31 C ATOM 1735 CD1 TYR A 102 -1.779 8.815 2.412 1.00 3.22 C ATOM 1736 CD2 TYR A 102 -3.752 8.880 1.061 1.00 63.53 C ATOM 1737 CE1 TYR A 102 -2.548 8.685 3.542 1.00 30.33 C ATOM 1738 CE2 TYR A 102 -4.524 8.750 2.203 1.00 73.41 C ATOM 1739 CZ TYR A 102 -3.911 8.650 3.438 1.00 74.25 C ATOM 1740 OH TYR A 102 -4.663 8.521 4.580 1.00 63.20 O ATOM 0 H TYR A 102 -2.077 11.449 -0.522 1.00 62.30 H new ATOM 0 HA TYR A 102 0.046 10.147 0.991 1.00 12.42 H new ATOM 0 HB2 TYR A 102 -2.087 9.197 -0.971 1.00 35.12 H new ATOM 0 HB3 TYR A 102 -0.909 8.127 -0.239 1.00 35.12 H new ATOM 0 HD1 TYR A 102 -0.703 8.841 2.505 1.00 3.22 H new ATOM 0 HD2 TYR A 102 -4.232 8.956 0.097 1.00 63.53 H new ATOM 0 HE1 TYR A 102 -2.077 8.611 4.511 1.00 30.33 H new ATOM 0 HE2 TYR A 102 -5.601 8.727 2.129 1.00 73.41 H new ATOM 0 HH TYR A 102 -5.543 8.155 4.352 1.00 63.20 H new ATOM 1750 N GLU A 103 1.802 9.751 -0.723 1.00 65.30 N ATOM 1751 CA GLU A 103 2.874 9.570 -1.707 1.00 23.14 C ATOM 1752 C GLU A 103 2.541 8.358 -2.597 1.00 70.24 C ATOM 1753 O GLU A 103 2.787 7.214 -2.217 1.00 42.52 O ATOM 1754 CB GLU A 103 4.260 9.403 -1.021 1.00 32.13 C ATOM 1755 CG GLU A 103 5.427 9.222 -2.025 1.00 22.24 C ATOM 1756 CD GLU A 103 6.804 9.045 -1.375 1.00 42.11 C ATOM 1757 OE1 GLU A 103 7.107 7.935 -0.914 1.00 43.11 O ATOM 1758 OE2 GLU A 103 7.605 10.006 -1.351 1.00 60.55 O ATOM 0 H GLU A 103 2.069 9.518 0.233 1.00 65.30 H new ATOM 0 HA GLU A 103 2.939 10.464 -2.327 1.00 23.14 H new ATOM 0 HB2 GLU A 103 4.457 10.277 -0.400 1.00 32.13 H new ATOM 0 HB3 GLU A 103 4.226 8.540 -0.356 1.00 32.13 H new ATOM 0 HG2 GLU A 103 5.220 8.353 -2.650 1.00 22.24 H new ATOM 0 HG3 GLU A 103 5.460 10.089 -2.685 1.00 22.24 H new ATOM 1765 N VAL A 104 1.926 8.628 -3.764 1.00 3.22 N ATOM 1766 CA VAL A 104 1.469 7.585 -4.690 1.00 40.10 C ATOM 1767 C VAL A 104 2.501 7.427 -5.809 1.00 2.53 C ATOM 1768 O VAL A 104 2.683 8.333 -6.629 1.00 25.33 O ATOM 1769 CB VAL A 104 0.062 7.928 -5.305 1.00 51.32 C ATOM 1770 CG1 VAL A 104 -0.490 6.727 -6.096 1.00 50.53 C ATOM 1771 CG2 VAL A 104 -0.931 8.375 -4.214 1.00 70.12 C ATOM 0 H VAL A 104 1.734 9.576 -4.087 1.00 3.22 H new ATOM 0 HA VAL A 104 1.366 6.653 -4.135 1.00 40.10 H new ATOM 0 HB VAL A 104 0.190 8.762 -5.995 1.00 51.32 H new ATOM 0 HG11 VAL A 104 -1.464 6.983 -6.514 1.00 50.53 H new ATOM 0 HG12 VAL A 104 0.197 6.477 -6.904 1.00 50.53 H new ATOM 0 HG13 VAL A 104 -0.595 5.870 -5.430 1.00 50.53 H new ATOM 0 HG21 VAL A 104 -1.894 8.605 -4.670 1.00 70.12 H new ATOM 0 HG22 VAL A 104 -1.057 7.574 -3.486 1.00 70.12 H new ATOM 0 HG23 VAL A 104 -0.546 9.263 -3.713 1.00 70.12 H new ATOM 1781 N ARG A 105 3.204 6.290 -5.810 1.00 14.42 N ATOM 1782 CA ARG A 105 4.270 6.014 -6.782 1.00 1.13 C ATOM 1783 C ARG A 105 3.814 4.943 -7.787 1.00 33.51 C ATOM 1784 O ARG A 105 2.956 4.104 -7.481 1.00 15.40 O ATOM 1785 CB ARG A 105 5.552 5.575 -6.031 1.00 65.52 C ATOM 1786 CG ARG A 105 6.828 5.460 -6.899 1.00 51.01 C ATOM 1787 CD ARG A 105 7.253 6.803 -7.529 1.00 40.14 C ATOM 1788 NE ARG A 105 8.376 6.627 -8.459 1.00 12.45 N ATOM 1789 CZ ARG A 105 8.804 7.532 -9.351 1.00 73.52 C ATOM 1790 NH1 ARG A 105 8.235 8.727 -9.471 1.00 24.53 N ATOM 1791 NH2 ARG A 105 9.817 7.224 -10.141 1.00 34.44 N ATOM 0 H ARG A 105 3.052 5.536 -5.140 1.00 14.42 H new ATOM 0 HA ARG A 105 4.493 6.920 -7.346 1.00 1.13 H new ATOM 0 HB2 ARG A 105 5.743 6.287 -5.228 1.00 65.52 H new ATOM 0 HB3 ARG A 105 5.364 4.609 -5.562 1.00 65.52 H new ATOM 0 HG2 ARG A 105 7.644 5.078 -6.286 1.00 51.01 H new ATOM 0 HG3 ARG A 105 6.657 4.731 -7.691 1.00 51.01 H new ATOM 0 HD2 ARG A 105 6.407 7.243 -8.057 1.00 40.14 H new ATOM 0 HD3 ARG A 105 7.536 7.502 -6.742 1.00 40.14 H new ATOM 0 HE ARG A 105 8.874 5.738 -8.423 1.00 12.45 H new ATOM 0 HH11 ARG A 105 7.448 8.979 -8.874 1.00 24.53 H new ATOM 0 HH12 ARG A 105 8.586 9.392 -10.160 1.00 24.53 H new ATOM 0 HH21 ARG A 105 10.261 6.309 -10.067 1.00 34.44 H new ATOM 0 HH22 ARG A 105 10.155 7.901 -10.825 1.00 34.44 H new ATOM 1805 N LYS A 106 4.420 4.985 -8.981 1.00 45.31 N ATOM 1806 CA LYS A 106 4.144 4.059 -10.086 1.00 61.13 C ATOM 1807 C LYS A 106 5.145 2.890 -10.087 1.00 75.43 C ATOM 1808 O LYS A 106 6.246 3.000 -9.526 1.00 21.34 O ATOM 1809 CB LYS A 106 4.298 4.820 -11.435 1.00 35.35 C ATOM 1810 CG LYS A 106 3.245 5.912 -11.727 1.00 53.10 C ATOM 1811 CD LYS A 106 3.564 6.701 -13.033 1.00 0.22 C ATOM 1812 CE LYS A 106 3.739 5.793 -14.264 1.00 45.33 C ATOM 1813 NZ LYS A 106 4.321 6.523 -15.427 1.00 2.43 N ATOM 0 H LYS A 106 5.131 5.679 -9.210 1.00 45.31 H new ATOM 0 HA LYS A 106 3.133 3.671 -9.962 1.00 61.13 H new ATOM 0 HB2 LYS A 106 5.285 5.282 -11.457 1.00 35.35 H new ATOM 0 HB3 LYS A 106 4.269 4.091 -12.245 1.00 35.35 H new ATOM 0 HG2 LYS A 106 2.261 5.452 -11.813 1.00 53.10 H new ATOM 0 HG3 LYS A 106 3.200 6.605 -10.887 1.00 53.10 H new ATOM 0 HD2 LYS A 106 2.760 7.412 -13.226 1.00 0.22 H new ATOM 0 HD3 LYS A 106 4.475 7.282 -12.886 1.00 0.22 H new ATOM 0 HE2 LYS A 106 4.384 4.954 -14.005 1.00 45.33 H new ATOM 0 HE3 LYS A 106 2.772 5.377 -14.546 1.00 45.33 H new ATOM 0 HZ1 LYS A 106 4.577 5.843 -16.171 1.00 2.43 H new ATOM 0 HZ2 LYS A 106 3.621 7.196 -15.800 1.00 2.43 H new ATOM 0 HZ3 LYS A 106 5.171 7.040 -15.123 1.00 2.43 H new ATOM 1827 N VAL A 107 4.720 1.776 -10.716 1.00 1.14 N ATOM 1828 CA VAL A 107 5.610 0.698 -11.176 1.00 62.23 C ATOM 1829 C VAL A 107 4.828 -0.260 -12.103 1.00 53.52 C ATOM 1830 O VAL A 107 3.646 -0.546 -11.871 1.00 35.43 O ATOM 1831 CB VAL A 107 6.300 -0.095 -9.996 1.00 25.41 C ATOM 1832 CG1 VAL A 107 5.288 -0.865 -9.119 1.00 75.33 C ATOM 1833 CG2 VAL A 107 7.423 -1.014 -10.527 1.00 23.51 C ATOM 0 H VAL A 107 3.736 1.600 -10.920 1.00 1.14 H new ATOM 0 HA VAL A 107 6.423 1.167 -11.730 1.00 62.23 H new ATOM 0 HB VAL A 107 6.758 0.646 -9.341 1.00 25.41 H new ATOM 0 HG11 VAL A 107 5.820 -1.390 -8.326 1.00 75.33 H new ATOM 0 HG12 VAL A 107 4.580 -0.163 -8.678 1.00 75.33 H new ATOM 0 HG13 VAL A 107 4.749 -1.586 -9.733 1.00 75.33 H new ATOM 0 HG21 VAL A 107 7.881 -1.548 -9.694 1.00 23.51 H new ATOM 0 HG22 VAL A 107 7.003 -1.732 -11.231 1.00 23.51 H new ATOM 0 HG23 VAL A 107 8.179 -0.411 -11.031 1.00 23.51 H new ATOM 1843 N THR A 108 5.486 -0.706 -13.182 1.00 4.33 N ATOM 1844 CA THR A 108 4.934 -1.692 -14.127 1.00 72.05 C ATOM 1845 C THR A 108 5.647 -3.046 -13.960 1.00 34.04 C ATOM 1846 O THR A 108 5.037 -4.110 -14.130 1.00 33.32 O ATOM 1847 CB THR A 108 5.092 -1.185 -15.603 1.00 24.41 C ATOM 1848 OG1 THR A 108 6.451 -0.783 -15.835 1.00 52.13 O ATOM 1849 CG2 THR A 108 4.154 -0.005 -15.922 1.00 40.20 C ATOM 0 H THR A 108 6.425 -0.391 -13.427 1.00 4.33 H new ATOM 0 HA THR A 108 3.873 -1.820 -13.911 1.00 72.05 H new ATOM 0 HB THR A 108 4.821 -2.013 -16.259 1.00 24.41 H new ATOM 0 HG1 THR A 108 6.546 -0.469 -16.758 1.00 52.13 H new ATOM 0 HG21 THR A 108 4.302 0.309 -16.955 1.00 40.20 H new ATOM 0 HG22 THR A 108 3.118 -0.315 -15.782 1.00 40.20 H new ATOM 0 HG23 THR A 108 4.377 0.828 -15.255 1.00 40.20 H new ATOM 1857 N ASP A 109 6.946 -2.980 -13.611 1.00 24.13 N ATOM 1858 CA ASP A 109 7.823 -4.157 -13.515 1.00 24.22 C ATOM 1859 C ASP A 109 7.688 -4.864 -12.164 1.00 51.23 C ATOM 1860 O ASP A 109 7.514 -4.229 -11.117 1.00 75.12 O ATOM 1861 CB ASP A 109 9.295 -3.749 -13.746 1.00 4.20 C ATOM 1862 CG ASP A 109 9.547 -3.169 -15.145 1.00 70.12 C ATOM 1863 OD1 ASP A 109 9.834 -3.943 -16.082 1.00 41.12 O ATOM 1864 OD2 ASP A 109 9.451 -1.936 -15.313 1.00 72.21 O ATOM 0 H ASP A 109 7.416 -2.103 -13.387 1.00 24.13 H new ATOM 0 HA ASP A 109 7.511 -4.857 -14.291 1.00 24.22 H new ATOM 0 HB2 ASP A 109 9.583 -3.012 -12.996 1.00 4.20 H new ATOM 0 HB3 ASP A 109 9.934 -4.620 -13.600 1.00 4.20 H new ATOM 1869 N ASP A 110 7.832 -6.192 -12.217 1.00 53.03 N ATOM 1870 CA ASP A 110 7.666 -7.091 -11.064 1.00 73.21 C ATOM 1871 C ASP A 110 8.837 -6.950 -10.078 1.00 74.14 C ATOM 1872 O ASP A 110 8.647 -6.730 -8.877 1.00 13.13 O ATOM 1873 CB ASP A 110 7.578 -8.552 -11.576 1.00 61.23 C ATOM 1874 CG ASP A 110 6.492 -8.748 -12.655 1.00 10.12 C ATOM 1875 OD1 ASP A 110 5.295 -8.795 -12.312 1.00 72.03 O ATOM 1876 OD2 ASP A 110 6.833 -8.838 -13.854 1.00 73.22 O ATOM 0 H ASP A 110 8.072 -6.684 -13.078 1.00 53.03 H new ATOM 0 HA ASP A 110 6.751 -6.823 -10.536 1.00 73.21 H new ATOM 0 HB2 ASP A 110 8.545 -8.847 -11.984 1.00 61.23 H new ATOM 0 HB3 ASP A 110 7.371 -9.214 -10.735 1.00 61.23 H new ATOM 1881 N GLU A 111 10.054 -7.059 -10.625 1.00 31.12 N ATOM 1882 CA GLU A 111 11.292 -7.010 -9.839 1.00 63.34 C ATOM 1883 C GLU A 111 11.521 -5.592 -9.281 1.00 33.20 C ATOM 1884 O GLU A 111 12.004 -5.440 -8.158 1.00 2.34 O ATOM 1885 CB GLU A 111 12.491 -7.481 -10.700 1.00 51.41 C ATOM 1886 CG GLU A 111 12.364 -8.928 -11.227 1.00 4.33 C ATOM 1887 CD GLU A 111 13.572 -9.363 -12.077 1.00 31.24 C ATOM 1888 OE1 GLU A 111 14.605 -9.771 -11.498 1.00 41.31 O ATOM 1889 OE2 GLU A 111 13.507 -9.279 -13.321 1.00 75.22 O ATOM 0 H GLU A 111 10.208 -7.184 -11.626 1.00 31.12 H new ATOM 0 HA GLU A 111 11.200 -7.688 -8.991 1.00 63.34 H new ATOM 0 HB2 GLU A 111 12.602 -6.806 -11.549 1.00 51.41 H new ATOM 0 HB3 GLU A 111 13.403 -7.401 -10.108 1.00 51.41 H new ATOM 0 HG2 GLU A 111 12.256 -9.609 -10.383 1.00 4.33 H new ATOM 0 HG3 GLU A 111 11.456 -9.014 -11.824 1.00 4.33 H new ATOM 1896 N GLU A 112 11.128 -4.555 -10.062 1.00 0.40 N ATOM 1897 CA GLU A 112 11.283 -3.156 -9.636 1.00 55.44 C ATOM 1898 C GLU A 112 10.260 -2.799 -8.549 1.00 54.01 C ATOM 1899 O GLU A 112 10.574 -1.992 -7.679 1.00 13.32 O ATOM 1900 CB GLU A 112 11.210 -2.151 -10.813 1.00 44.04 C ATOM 1901 CG GLU A 112 11.568 -0.699 -10.396 1.00 3.03 C ATOM 1902 CD GLU A 112 11.600 0.298 -11.557 1.00 70.32 C ATOM 1903 OE1 GLU A 112 12.630 0.359 -12.266 1.00 63.21 O ATOM 1904 OE2 GLU A 112 10.608 1.036 -11.757 1.00 65.42 O ATOM 0 H GLU A 112 10.705 -4.668 -10.983 1.00 0.40 H new ATOM 0 HA GLU A 112 12.286 -3.070 -9.218 1.00 55.44 H new ATOM 0 HB2 GLU A 112 11.889 -2.474 -11.602 1.00 44.04 H new ATOM 0 HB3 GLU A 112 10.204 -2.165 -11.233 1.00 44.04 H new ATOM 0 HG2 GLU A 112 10.843 -0.356 -9.657 1.00 3.03 H new ATOM 0 HG3 GLU A 112 12.543 -0.703 -9.908 1.00 3.03 H new ATOM 1911 N ALA A 113 9.056 -3.422 -8.587 1.00 34.24 N ATOM 1912 CA ALA A 113 8.022 -3.226 -7.542 1.00 52.02 C ATOM 1913 C ALA A 113 8.613 -3.418 -6.134 1.00 33.25 C ATOM 1914 O ALA A 113 8.397 -2.594 -5.249 1.00 14.20 O ATOM 1915 CB ALA A 113 6.838 -4.173 -7.758 1.00 54.40 C ATOM 0 H ALA A 113 8.778 -4.064 -9.330 1.00 34.24 H new ATOM 0 HA ALA A 113 7.661 -2.201 -7.623 1.00 52.02 H new ATOM 0 HB1 ALA A 113 6.094 -4.009 -6.978 1.00 54.40 H new ATOM 0 HB2 ALA A 113 6.391 -3.980 -8.733 1.00 54.40 H new ATOM 0 HB3 ALA A 113 7.185 -5.205 -7.717 1.00 54.40 H new ATOM 1921 N LEU A 114 9.443 -4.472 -6.004 1.00 73.41 N ATOM 1922 CA LEU A 114 10.164 -4.814 -4.762 1.00 63.01 C ATOM 1923 C LEU A 114 11.133 -3.676 -4.350 1.00 40.25 C ATOM 1924 O LEU A 114 11.213 -3.303 -3.179 1.00 2.02 O ATOM 1925 CB LEU A 114 10.960 -6.133 -4.969 1.00 23.43 C ATOM 1926 CG LEU A 114 10.152 -7.344 -5.537 1.00 23.13 C ATOM 1927 CD1 LEU A 114 11.086 -8.509 -5.901 1.00 51.33 C ATOM 1928 CD2 LEU A 114 9.060 -7.802 -4.556 1.00 0.51 C ATOM 0 H LEU A 114 9.634 -5.119 -6.769 1.00 73.41 H new ATOM 0 HA LEU A 114 9.433 -4.946 -3.964 1.00 63.01 H new ATOM 0 HB2 LEU A 114 11.792 -5.929 -5.644 1.00 23.43 H new ATOM 0 HB3 LEU A 114 11.391 -6.427 -4.012 1.00 23.43 H new ATOM 0 HG LEU A 114 9.658 -7.009 -6.449 1.00 23.13 H new ATOM 0 HD11 LEU A 114 10.497 -9.338 -6.294 1.00 51.33 H new ATOM 0 HD12 LEU A 114 11.800 -8.181 -6.657 1.00 51.33 H new ATOM 0 HD13 LEU A 114 11.624 -8.836 -5.011 1.00 51.33 H new ATOM 0 HD21 LEU A 114 8.518 -8.646 -4.983 1.00 0.51 H new ATOM 0 HD22 LEU A 114 9.520 -8.105 -3.615 1.00 0.51 H new ATOM 0 HD23 LEU A 114 8.367 -6.981 -4.373 1.00 0.51 H new ATOM 1940 N LYS A 115 11.838 -3.121 -5.361 1.00 32.53 N ATOM 1941 CA LYS A 115 12.851 -2.054 -5.184 1.00 23.54 C ATOM 1942 C LYS A 115 12.197 -0.733 -4.719 1.00 62.55 C ATOM 1943 O LYS A 115 12.814 0.045 -3.988 1.00 52.45 O ATOM 1944 CB LYS A 115 13.627 -1.821 -6.515 1.00 62.34 C ATOM 1945 CG LYS A 115 14.220 -3.099 -7.150 1.00 14.54 C ATOM 1946 CD LYS A 115 14.915 -2.820 -8.507 1.00 21.23 C ATOM 1947 CE LYS A 115 15.265 -4.107 -9.279 1.00 44.03 C ATOM 1948 NZ LYS A 115 16.192 -4.997 -8.524 1.00 54.12 N ATOM 0 H LYS A 115 11.719 -3.404 -6.334 1.00 32.53 H new ATOM 0 HA LYS A 115 13.549 -2.380 -4.413 1.00 23.54 H new ATOM 0 HB2 LYS A 115 12.955 -1.353 -7.234 1.00 62.34 H new ATOM 0 HB3 LYS A 115 14.436 -1.115 -6.329 1.00 62.34 H new ATOM 0 HG2 LYS A 115 14.939 -3.543 -6.462 1.00 14.54 H new ATOM 0 HG3 LYS A 115 13.425 -3.831 -7.296 1.00 14.54 H new ATOM 0 HD2 LYS A 115 14.263 -2.200 -9.122 1.00 21.23 H new ATOM 0 HD3 LYS A 115 15.827 -2.249 -8.332 1.00 21.23 H new ATOM 0 HE2 LYS A 115 14.348 -4.652 -9.504 1.00 44.03 H new ATOM 0 HE3 LYS A 115 15.720 -3.841 -10.233 1.00 44.03 H new ATOM 0 HZ1 LYS A 115 16.394 -5.847 -9.088 1.00 54.12 H new ATOM 0 HZ2 LYS A 115 17.080 -4.490 -8.331 1.00 54.12 H new ATOM 0 HZ3 LYS A 115 15.750 -5.276 -7.625 1.00 54.12 H new ATOM 1962 N ILE A 116 10.938 -0.495 -5.148 1.00 44.53 N ATOM 1963 CA ILE A 116 10.192 0.723 -4.775 1.00 51.33 C ATOM 1964 C ILE A 116 9.646 0.581 -3.337 1.00 65.51 C ATOM 1965 O ILE A 116 9.632 1.555 -2.575 1.00 63.13 O ATOM 1966 CB ILE A 116 9.017 1.049 -5.777 1.00 0.04 C ATOM 1967 CG1 ILE A 116 9.471 0.948 -7.269 1.00 73.02 C ATOM 1968 CG2 ILE A 116 8.432 2.450 -5.496 1.00 73.20 C ATOM 1969 CD1 ILE A 116 10.623 1.856 -7.678 1.00 30.20 C ATOM 0 H ILE A 116 10.419 -1.131 -5.753 1.00 44.53 H new ATOM 0 HA ILE A 116 10.889 1.559 -4.826 1.00 51.33 H new ATOM 0 HB ILE A 116 8.243 0.299 -5.614 1.00 0.04 H new ATOM 0 HG12 ILE A 116 9.758 -0.084 -7.472 1.00 73.02 H new ATOM 0 HG13 ILE A 116 8.614 1.172 -7.905 1.00 73.02 H new ATOM 0 HG21 ILE A 116 7.624 2.654 -6.198 1.00 73.20 H new ATOM 0 HG22 ILE A 116 8.046 2.485 -4.477 1.00 73.20 H new ATOM 0 HG23 ILE A 116 9.213 3.201 -5.614 1.00 73.20 H new ATOM 0 HD11 ILE A 116 10.852 1.701 -8.732 1.00 30.20 H new ATOM 0 HD12 ILE A 116 10.341 2.897 -7.517 1.00 30.20 H new ATOM 0 HD13 ILE A 116 11.502 1.621 -7.078 1.00 30.20 H new ATOM 1981 N VAL A 117 9.218 -0.658 -2.971 1.00 34.44 N ATOM 1982 CA VAL A 117 8.824 -0.999 -1.582 1.00 10.41 C ATOM 1983 C VAL A 117 10.001 -0.718 -0.622 1.00 21.41 C ATOM 1984 O VAL A 117 9.812 -0.163 0.464 1.00 72.40 O ATOM 1985 CB VAL A 117 8.386 -2.509 -1.431 1.00 2.53 C ATOM 1986 CG1 VAL A 117 8.002 -2.850 0.026 1.00 72.40 C ATOM 1987 CG2 VAL A 117 7.223 -2.869 -2.376 1.00 52.04 C ATOM 0 H VAL A 117 9.138 -1.438 -3.624 1.00 34.44 H new ATOM 0 HA VAL A 117 7.965 -0.376 -1.331 1.00 10.41 H new ATOM 0 HB VAL A 117 9.253 -3.108 -1.711 1.00 2.53 H new ATOM 0 HG11 VAL A 117 7.707 -3.897 0.089 1.00 72.40 H new ATOM 0 HG12 VAL A 117 8.857 -2.675 0.678 1.00 72.40 H new ATOM 0 HG13 VAL A 117 7.171 -2.219 0.340 1.00 72.40 H new ATOM 0 HG21 VAL A 117 6.954 -3.916 -2.239 1.00 52.04 H new ATOM 0 HG22 VAL A 117 6.362 -2.240 -2.149 1.00 52.04 H new ATOM 0 HG23 VAL A 117 7.530 -2.705 -3.409 1.00 52.04 H new ATOM 1997 N ARG A 118 11.218 -1.090 -1.079 1.00 23.31 N ATOM 1998 CA ARG A 118 12.478 -0.851 -0.354 1.00 33.11 C ATOM 1999 C ARG A 118 12.694 0.647 -0.078 1.00 42.15 C ATOM 2000 O ARG A 118 13.149 1.012 1.011 1.00 22.54 O ATOM 2001 CB ARG A 118 13.676 -1.429 -1.154 1.00 12.02 C ATOM 2002 CG ARG A 118 13.792 -2.966 -1.135 1.00 13.02 C ATOM 2003 CD ARG A 118 14.941 -3.472 -2.032 1.00 32.32 C ATOM 2004 NE ARG A 118 16.214 -2.747 -1.815 1.00 2.20 N ATOM 2005 CZ ARG A 118 17.444 -3.220 -2.106 1.00 12.12 C ATOM 2006 NH1 ARG A 118 17.618 -4.444 -2.627 1.00 61.43 N ATOM 2007 NH2 ARG A 118 18.501 -2.439 -1.904 1.00 12.14 N ATOM 0 H ARG A 118 11.350 -1.569 -1.970 1.00 23.31 H new ATOM 0 HA ARG A 118 12.412 -1.361 0.607 1.00 33.11 H new ATOM 0 HB2 ARG A 118 13.595 -1.099 -2.190 1.00 12.02 H new ATOM 0 HB3 ARG A 118 14.598 -1.005 -0.755 1.00 12.02 H new ATOM 0 HG2 ARG A 118 13.955 -3.304 -0.112 1.00 13.02 H new ATOM 0 HG3 ARG A 118 12.852 -3.404 -1.469 1.00 13.02 H new ATOM 0 HD2 ARG A 118 15.099 -4.534 -1.844 1.00 32.32 H new ATOM 0 HD3 ARG A 118 14.648 -3.373 -3.077 1.00 32.32 H new ATOM 0 HE ARG A 118 16.156 -1.812 -1.412 1.00 2.20 H new ATOM 0 HH11 ARG A 118 16.811 -5.039 -2.812 1.00 61.43 H new ATOM 0 HH12 ARG A 118 18.558 -4.779 -2.839 1.00 61.43 H new ATOM 0 HH21 ARG A 118 18.376 -1.497 -1.534 1.00 12.14 H new ATOM 0 HH22 ARG A 118 19.437 -2.782 -2.119 1.00 12.14 H new ATOM 2021 N GLU A 119 12.349 1.501 -1.068 1.00 62.34 N ATOM 2022 CA GLU A 119 12.436 2.966 -0.920 1.00 73.21 C ATOM 2023 C GLU A 119 11.493 3.458 0.196 1.00 2.21 C ATOM 2024 O GLU A 119 11.911 4.225 1.050 1.00 62.42 O ATOM 2025 CB GLU A 119 12.116 3.691 -2.259 1.00 45.14 C ATOM 2026 CG GLU A 119 13.128 3.424 -3.397 1.00 53.34 C ATOM 2027 CD GLU A 119 14.578 3.844 -3.060 1.00 74.24 C ATOM 2028 OE1 GLU A 119 14.801 5.004 -2.639 1.00 23.40 O ATOM 2029 OE2 GLU A 119 15.504 3.019 -3.222 1.00 61.30 O ATOM 0 H GLU A 119 12.007 1.196 -1.979 1.00 62.34 H new ATOM 0 HA GLU A 119 13.462 3.210 -0.643 1.00 73.21 H new ATOM 0 HB2 GLU A 119 11.125 3.385 -2.594 1.00 45.14 H new ATOM 0 HB3 GLU A 119 12.073 4.764 -2.074 1.00 45.14 H new ATOM 0 HG2 GLU A 119 13.115 2.361 -3.639 1.00 53.34 H new ATOM 0 HG3 GLU A 119 12.804 3.958 -4.290 1.00 53.34 H new ATOM 2036 N PHE A 120 10.233 2.976 0.181 1.00 41.21 N ATOM 2037 CA PHE A 120 9.206 3.347 1.186 1.00 54.15 C ATOM 2038 C PHE A 120 9.602 2.944 2.615 1.00 44.33 C ATOM 2039 O PHE A 120 9.381 3.702 3.558 1.00 23.44 O ATOM 2040 CB PHE A 120 7.845 2.698 0.850 1.00 64.12 C ATOM 2041 CG PHE A 120 7.263 3.124 -0.491 1.00 41.44 C ATOM 2042 CD1 PHE A 120 7.217 4.471 -0.860 1.00 62.23 C ATOM 2043 CD2 PHE A 120 6.757 2.183 -1.379 1.00 1.52 C ATOM 2044 CE1 PHE A 120 6.681 4.853 -2.071 1.00 73.12 C ATOM 2045 CE2 PHE A 120 6.227 2.571 -2.584 1.00 62.50 C ATOM 2046 CZ PHE A 120 6.186 3.902 -2.929 1.00 22.21 C ATOM 0 H PHE A 120 9.896 2.321 -0.524 1.00 41.21 H new ATOM 0 HA PHE A 120 9.126 4.433 1.145 1.00 54.15 H new ATOM 0 HB2 PHE A 120 7.961 1.614 0.855 1.00 64.12 H new ATOM 0 HB3 PHE A 120 7.133 2.946 1.637 1.00 64.12 H new ATOM 0 HD1 PHE A 120 7.606 5.222 -0.188 1.00 62.23 H new ATOM 0 HD2 PHE A 120 6.781 1.135 -1.118 1.00 1.52 H new ATOM 0 HE1 PHE A 120 6.650 5.897 -2.344 1.00 73.12 H new ATOM 0 HE2 PHE A 120 5.840 1.827 -3.265 1.00 62.50 H new ATOM 0 HZ PHE A 120 5.763 4.200 -3.877 1.00 22.21 H new ATOM 2056 N MET A 121 10.152 1.727 2.757 1.00 5.01 N ATOM 2057 CA MET A 121 10.625 1.196 4.049 1.00 15.11 C ATOM 2058 C MET A 121 11.894 1.939 4.530 1.00 23.21 C ATOM 2059 O MET A 121 12.151 2.031 5.733 1.00 34.02 O ATOM 2060 CB MET A 121 10.872 -0.335 3.935 1.00 24.12 C ATOM 2061 CG MET A 121 9.608 -1.159 3.613 1.00 74.33 C ATOM 2062 SD MET A 121 9.906 -2.945 3.601 1.00 31.24 S ATOM 2063 CE MET A 121 11.072 -3.135 2.247 1.00 20.43 C ATOM 0 H MET A 121 10.282 1.081 1.978 1.00 5.01 H new ATOM 0 HA MET A 121 9.852 1.365 4.799 1.00 15.11 H new ATOM 0 HB2 MET A 121 11.616 -0.514 3.159 1.00 24.12 H new ATOM 0 HB3 MET A 121 11.296 -0.694 4.873 1.00 24.12 H new ATOM 0 HG2 MET A 121 8.836 -0.931 4.348 1.00 74.33 H new ATOM 0 HG3 MET A 121 9.222 -0.855 2.640 1.00 74.33 H new ATOM 0 HE1 MET A 121 11.026 -4.156 1.868 1.00 20.43 H new ATOM 0 HE2 MET A 121 10.817 -2.439 1.447 1.00 20.43 H new ATOM 0 HE3 MET A 121 12.081 -2.925 2.603 1.00 20.43 H new ATOM 2073 N GLN A 122 12.675 2.461 3.567 1.00 60.21 N ATOM 2074 CA GLN A 122 13.860 3.299 3.838 1.00 21.01 C ATOM 2075 C GLN A 122 13.443 4.720 4.279 1.00 33.11 C ATOM 2076 O GLN A 122 14.075 5.315 5.156 1.00 11.54 O ATOM 2077 CB GLN A 122 14.757 3.343 2.570 1.00 64.33 C ATOM 2078 CG GLN A 122 16.069 4.128 2.725 1.00 54.10 C ATOM 2079 CD GLN A 122 16.960 4.050 1.483 1.00 55.44 C ATOM 2080 OE1 GLN A 122 17.835 3.180 1.379 1.00 32.32 O ATOM 2081 NE2 GLN A 122 16.724 4.931 0.523 1.00 60.43 N ATOM 0 H GLN A 122 12.502 2.313 2.573 1.00 60.21 H new ATOM 0 HA GLN A 122 14.429 2.862 4.659 1.00 21.01 H new ATOM 0 HB2 GLN A 122 14.996 2.321 2.278 1.00 64.33 H new ATOM 0 HB3 GLN A 122 14.184 3.782 1.754 1.00 64.33 H new ATOM 0 HG2 GLN A 122 15.839 5.172 2.936 1.00 54.10 H new ATOM 0 HG3 GLN A 122 16.618 3.743 3.584 1.00 54.10 H new ATOM 0 HE21 GLN A 122 15.995 5.634 0.644 1.00 60.43 H new ATOM 0 HE22 GLN A 122 17.271 4.907 -0.337 1.00 60.43 H new ATOM 2090 N LYS A 123 12.350 5.239 3.677 1.00 1.00 N ATOM 2091 CA LYS A 123 11.791 6.571 4.011 1.00 52.12 C ATOM 2092 C LYS A 123 11.117 6.515 5.391 1.00 35.12 C ATOM 2093 O LYS A 123 11.264 7.430 6.198 1.00 44.33 O ATOM 2094 CB LYS A 123 10.763 7.029 2.933 1.00 43.54 C ATOM 2095 CG LYS A 123 11.346 7.244 1.519 1.00 61.05 C ATOM 2096 CD LYS A 123 10.247 7.540 0.466 1.00 41.52 C ATOM 2097 CE LYS A 123 10.790 7.551 -0.969 1.00 4.22 C ATOM 2098 NZ LYS A 123 9.742 7.919 -1.960 1.00 50.43 N ATOM 0 H LYS A 123 11.831 4.749 2.948 1.00 1.00 H new ATOM 0 HA LYS A 123 12.606 7.295 4.033 1.00 52.12 H new ATOM 0 HB2 LYS A 123 9.969 6.285 2.872 1.00 43.54 H new ATOM 0 HB3 LYS A 123 10.303 7.960 3.265 1.00 43.54 H new ATOM 0 HG2 LYS A 123 12.055 8.072 1.543 1.00 61.05 H new ATOM 0 HG3 LYS A 123 11.903 6.356 1.220 1.00 61.05 H new ATOM 0 HD2 LYS A 123 9.461 6.790 0.547 1.00 41.52 H new ATOM 0 HD3 LYS A 123 9.790 8.505 0.685 1.00 41.52 H new ATOM 0 HE2 LYS A 123 11.618 8.257 -1.038 1.00 4.22 H new ATOM 0 HE3 LYS A 123 11.190 6.567 -1.213 1.00 4.22 H new ATOM 0 HZ1 LYS A 123 9.962 7.481 -2.877 1.00 50.43 H new ATOM 0 HZ2 LYS A 123 8.816 7.581 -1.628 1.00 50.43 H new ATOM 0 HZ3 LYS A 123 9.714 8.953 -2.068 1.00 50.43 H new ATOM 2112 N ALA A 124 10.397 5.407 5.641 1.00 14.01 N ATOM 2113 CA ALA A 124 9.786 5.110 6.944 1.00 75.34 C ATOM 2114 C ALA A 124 10.879 4.922 8.003 1.00 63.43 C ATOM 2115 O ALA A 124 10.732 5.373 9.137 1.00 15.03 O ATOM 2116 CB ALA A 124 8.903 3.859 6.844 1.00 74.01 C ATOM 0 H ALA A 124 10.223 4.689 4.938 1.00 14.01 H new ATOM 0 HA ALA A 124 9.156 5.948 7.242 1.00 75.34 H new ATOM 0 HB1 ALA A 124 8.456 3.650 7.816 1.00 74.01 H new ATOM 0 HB2 ALA A 124 8.114 4.028 6.111 1.00 74.01 H new ATOM 0 HB3 ALA A 124 9.510 3.009 6.534 1.00 74.01 H new ATOM 2122 N GLY A 125 11.995 4.283 7.577 1.00 24.52 N ATOM 2123 CA GLY A 125 13.171 4.074 8.424 1.00 34.42 C ATOM 2124 C GLY A 125 13.905 5.375 8.745 1.00 11.23 C ATOM 2125 O GLY A 125 14.556 5.489 9.792 1.00 1.11 O ATOM 0 H GLY A 125 12.095 3.902 6.636 1.00 24.52 H new ATOM 0 HA2 GLY A 125 12.863 3.596 9.354 1.00 34.42 H new ATOM 0 HA3 GLY A 125 13.856 3.389 7.925 1.00 34.42 H new ATOM 2129 N SER A 126 13.785 6.365 7.840 1.00 20.32 N ATOM 2130 CA SER A 126 14.326 7.717 8.051 1.00 51.32 C ATOM 2131 C SER A 126 13.440 8.480 9.054 1.00 22.10 C ATOM 2132 O SER A 126 13.944 9.190 9.931 1.00 34.03 O ATOM 2133 CB SER A 126 14.410 8.472 6.706 1.00 32.03 C ATOM 2134 OG SER A 126 15.261 7.795 5.792 1.00 61.02 O ATOM 0 H SER A 126 13.311 6.248 6.944 1.00 20.32 H new ATOM 0 HA SER A 126 15.333 7.643 8.462 1.00 51.32 H new ATOM 0 HB2 SER A 126 13.413 8.568 6.276 1.00 32.03 H new ATOM 0 HB3 SER A 126 14.783 9.482 6.875 1.00 32.03 H new ATOM 0 HG SER A 126 14.867 6.928 5.559 1.00 61.02 H new ATOM 2140 N LEU A 127 12.108 8.267 8.936 1.00 64.22 N ATOM 2141 CA LEU A 127 11.100 8.868 9.836 1.00 31.22 C ATOM 2142 C LEU A 127 11.097 8.139 11.199 1.00 4.33 C ATOM 2143 O LEU A 127 10.459 8.586 12.147 1.00 10.13 O ATOM 2144 CB LEU A 127 9.686 8.808 9.181 1.00 30.44 C ATOM 2145 CG LEU A 127 9.507 9.558 7.817 1.00 54.01 C ATOM 2146 CD1 LEU A 127 8.105 9.302 7.215 1.00 64.22 C ATOM 2147 CD2 LEU A 127 9.791 11.068 7.955 1.00 43.51 C ATOM 0 H LEU A 127 11.704 7.673 8.213 1.00 64.22 H new ATOM 0 HA LEU A 127 11.359 9.913 10.003 1.00 31.22 H new ATOM 0 HB2 LEU A 127 9.426 7.760 9.029 1.00 30.44 H new ATOM 0 HB3 LEU A 127 8.966 9.216 9.890 1.00 30.44 H new ATOM 0 HG LEU A 127 10.244 9.152 7.125 1.00 54.01 H new ATOM 0 HD11 LEU A 127 8.012 9.836 6.269 1.00 64.22 H new ATOM 0 HD12 LEU A 127 7.972 8.234 7.043 1.00 64.22 H new ATOM 0 HD13 LEU A 127 7.341 9.656 7.908 1.00 64.22 H new ATOM 0 HD21 LEU A 127 9.656 11.553 6.988 1.00 43.51 H new ATOM 0 HD22 LEU A 127 9.102 11.503 8.679 1.00 43.51 H new ATOM 0 HD23 LEU A 127 10.816 11.216 8.296 1.00 43.51 H new ATOM 2159 N GLU A 128 11.787 6.989 11.262 1.00 10.00 N ATOM 2160 CA GLU A 128 12.053 6.277 12.518 1.00 62.32 C ATOM 2161 C GLU A 128 13.262 6.878 13.241 1.00 54.32 C ATOM 2162 O GLU A 128 13.237 7.061 14.462 1.00 63.34 O ATOM 2163 CB GLU A 128 12.280 4.761 12.238 1.00 40.20 C ATOM 2164 CG GLU A 128 10.986 3.962 11.985 1.00 74.23 C ATOM 2165 CD GLU A 128 10.131 3.779 13.250 1.00 35.21 C ATOM 2166 OE1 GLU A 128 9.534 4.763 13.740 1.00 40.55 O ATOM 2167 OE2 GLU A 128 10.041 2.652 13.768 1.00 73.41 O ATOM 0 H GLU A 128 12.176 6.527 10.440 1.00 10.00 H new ATOM 0 HA GLU A 128 11.184 6.387 13.167 1.00 62.32 H new ATOM 0 HB2 GLU A 128 12.933 4.657 11.371 1.00 40.20 H new ATOM 0 HB3 GLU A 128 12.805 4.321 13.086 1.00 40.20 H new ATOM 0 HG2 GLU A 128 10.394 4.472 11.225 1.00 74.23 H new ATOM 0 HG3 GLU A 128 11.244 2.982 11.584 1.00 74.23 H new ATOM 2174 N HIS A 129 14.306 7.198 12.471 1.00 11.12 N ATOM 2175 CA HIS A 129 15.607 7.613 13.020 1.00 12.43 C ATOM 2176 C HIS A 129 15.655 9.142 13.225 1.00 11.32 C ATOM 2177 O HIS A 129 16.521 9.827 12.674 1.00 15.15 O ATOM 2178 CB HIS A 129 16.742 7.112 12.074 1.00 24.24 C ATOM 2179 CG HIS A 129 18.070 6.863 12.745 1.00 65.22 C ATOM 2180 ND1 HIS A 129 19.236 6.660 12.042 1.00 55.23 N ATOM 2181 CD2 HIS A 129 18.403 6.707 14.053 1.00 33.24 C ATOM 2182 CE1 HIS A 129 20.210 6.382 12.880 1.00 70.35 C ATOM 2183 NE2 HIS A 129 19.735 6.400 14.104 1.00 2.13 N ATOM 0 H HIS A 129 14.277 7.178 11.452 1.00 11.12 H new ATOM 0 HA HIS A 129 15.752 7.163 14.002 1.00 12.43 H new ATOM 0 HB2 HIS A 129 16.415 6.188 11.597 1.00 24.24 H new ATOM 0 HB3 HIS A 129 16.885 7.847 11.282 1.00 24.24 H new ATOM 0 HD2 HIS A 129 17.738 6.807 14.898 1.00 33.24 H new ATOM 0 HE1 HIS A 129 21.234 6.173 12.606 1.00 70.35 H new ATOM 0 HE2 HIS A 129 20.271 6.216 14.952 1.00 2.13 H new ATOM 2192 N HIS A 130 14.708 9.662 14.038 1.00 5.31 N ATOM 2193 CA HIS A 130 14.685 11.084 14.450 1.00 30.34 C ATOM 2194 C HIS A 130 15.964 11.416 15.217 1.00 61.34 C ATOM 2195 O HIS A 130 16.621 12.435 14.974 1.00 13.13 O ATOM 2196 CB HIS A 130 13.453 11.393 15.342 1.00 1.31 C ATOM 2197 CG HIS A 130 12.128 11.275 14.646 1.00 55.50 C ATOM 2198 ND1 HIS A 130 11.600 12.283 13.870 1.00 52.51 N ATOM 2199 CD2 HIS A 130 11.211 10.282 14.634 1.00 14.15 C ATOM 2200 CE1 HIS A 130 10.423 11.914 13.412 1.00 51.13 C ATOM 2201 NE2 HIS A 130 10.162 10.706 13.860 1.00 5.32 N ATOM 0 H HIS A 130 13.942 9.111 14.425 1.00 5.31 H new ATOM 0 HA HIS A 130 14.619 11.697 13.551 1.00 30.34 H new ATOM 0 HB2 HIS A 130 13.461 10.716 16.196 1.00 1.31 H new ATOM 0 HB3 HIS A 130 13.552 12.404 15.737 1.00 1.31 H new ATOM 0 HD2 HIS A 130 11.290 9.331 15.140 1.00 14.15 H new ATOM 0 HE1 HIS A 130 9.780 12.504 12.776 1.00 51.13 H new ATOM 0 HE2 HIS A 130 9.316 10.171 13.664 1.00 5.32 H new ATOM 2210 N HIS A 131 16.322 10.501 16.122 1.00 73.31 N ATOM 2211 CA HIS A 131 17.542 10.584 16.913 1.00 71.45 C ATOM 2212 C HIS A 131 18.676 9.848 16.190 1.00 1.41 C ATOM 2213 O HIS A 131 19.254 8.886 16.701 1.00 25.41 O ATOM 2214 CB HIS A 131 17.267 10.030 18.332 1.00 73.45 C ATOM 2215 CG HIS A 131 16.255 10.854 19.097 1.00 21.24 C ATOM 2216 ND1 HIS A 131 14.959 10.444 19.333 1.00 25.32 N ATOM 2217 CD2 HIS A 131 16.358 12.087 19.656 1.00 11.44 C ATOM 2218 CE1 HIS A 131 14.317 11.385 19.999 1.00 2.24 C ATOM 2219 NE2 HIS A 131 15.139 12.388 20.199 1.00 10.42 N ATOM 0 H HIS A 131 15.762 9.673 16.325 1.00 73.31 H new ATOM 0 HA HIS A 131 17.861 11.620 17.026 1.00 71.45 H new ATOM 0 HB2 HIS A 131 16.908 9.004 18.253 1.00 73.45 H new ATOM 0 HB3 HIS A 131 18.201 9.999 18.892 1.00 73.45 H new ATOM 0 HD2 HIS A 131 17.238 12.713 19.669 1.00 11.44 H new ATOM 0 HE1 HIS A 131 13.288 11.338 20.325 1.00 2.24 H new ATOM 0 HE2 HIS A 131 14.906 13.255 20.683 1.00 10.42 H new ATOM 2228 N HIS A 132 18.933 10.292 14.943 1.00 2.23 N ATOM 2229 CA HIS A 132 20.123 9.897 14.180 1.00 64.42 C ATOM 2230 C HIS A 132 21.373 10.388 14.930 1.00 32.11 C ATOM 2231 O HIS A 132 21.552 11.597 15.119 1.00 71.12 O ATOM 2232 CB HIS A 132 20.045 10.415 12.705 1.00 35.24 C ATOM 2233 CG HIS A 132 19.458 11.803 12.525 1.00 44.20 C ATOM 2234 ND1 HIS A 132 18.177 12.021 12.056 1.00 25.20 N ATOM 2235 CD2 HIS A 132 19.977 13.036 12.736 1.00 53.32 C ATOM 2236 CE1 HIS A 132 17.938 13.315 12.012 1.00 43.44 C ATOM 2237 NE2 HIS A 132 19.012 13.956 12.412 1.00 22.20 N ATOM 0 H HIS A 132 18.319 10.934 14.441 1.00 2.23 H new ATOM 0 HA HIS A 132 20.180 8.811 14.103 1.00 64.42 H new ATOM 0 HB2 HIS A 132 21.050 10.408 12.283 1.00 35.24 H new ATOM 0 HB3 HIS A 132 19.450 9.711 12.123 1.00 35.24 H new ATOM 0 HD1 HIS A 132 17.518 11.291 11.785 1.00 25.20 H new ATOM 0 HD2 HIS A 132 20.972 13.256 13.095 1.00 53.32 H new ATOM 0 HE1 HIS A 132 17.012 13.773 11.699 1.00 43.44 H new ATOM 2246 N HIS A 133 22.199 9.420 15.373 1.00 52.32 N ATOM 2247 CA HIS A 133 23.241 9.617 16.400 1.00 1.10 C ATOM 2248 C HIS A 133 22.568 9.906 17.768 1.00 12.13 C ATOM 2249 O HIS A 133 22.296 11.061 18.110 1.00 2.31 O ATOM 2250 CB HIS A 133 24.291 10.708 15.998 1.00 12.31 C ATOM 2251 CG HIS A 133 25.268 11.076 17.087 1.00 22.14 C ATOM 2252 ND1 HIS A 133 25.218 12.281 17.758 1.00 31.42 N ATOM 2253 CD2 HIS A 133 26.294 10.385 17.643 1.00 13.22 C ATOM 2254 CE1 HIS A 133 26.164 12.311 18.675 1.00 71.54 C ATOM 2255 NE2 HIS A 133 26.831 11.177 18.628 1.00 34.10 N ATOM 0 H HIS A 133 22.160 8.463 15.021 1.00 52.32 H new ATOM 0 HA HIS A 133 23.818 8.696 16.487 1.00 1.10 H new ATOM 0 HB2 HIS A 133 24.850 10.353 15.132 1.00 12.31 H new ATOM 0 HB3 HIS A 133 23.759 11.607 15.687 1.00 12.31 H new ATOM 0 HD2 HIS A 133 26.627 9.396 17.363 1.00 13.22 H new ATOM 0 HE1 HIS A 133 26.359 13.129 19.352 1.00 71.54 H new ATOM 0 HE2 HIS A 133 27.619 10.927 19.226 1.00 34.10 H new ATOM 2264 N HIS A 134 22.237 8.825 18.503 1.00 1.54 N ATOM 2265 CA HIS A 134 21.689 8.898 19.880 1.00 32.13 C ATOM 2266 C HIS A 134 22.688 8.258 20.876 1.00 53.52 C ATOM 2267 O HIS A 134 23.021 7.060 20.718 1.00 14.24 O ATOM 2268 CB HIS A 134 20.270 8.245 19.982 1.00 32.30 C ATOM 2269 CG HIS A 134 20.166 6.791 19.564 1.00 44.25 C ATOM 2270 ND1 HIS A 134 20.388 5.737 20.431 1.00 14.14 N ATOM 2271 CD2 HIS A 134 19.842 6.221 18.375 1.00 62.24 C ATOM 2272 CE1 HIS A 134 20.208 4.598 19.796 1.00 15.32 C ATOM 2273 NE2 HIS A 134 19.880 4.863 18.552 1.00 1.54 N ATOM 2274 OXT HIS A 134 23.166 8.958 21.789 1.00 37.18 O ATOM 0 H HIS A 134 22.341 7.870 18.160 1.00 1.54 H new ATOM 0 HA HIS A 134 21.560 9.948 20.143 1.00 32.13 H new ATOM 0 HB2 HIS A 134 19.928 8.329 21.014 1.00 32.30 H new ATOM 0 HB3 HIS A 134 19.581 8.827 19.370 1.00 32.30 H new ATOM 0 HD2 HIS A 134 19.600 6.741 17.460 1.00 62.24 H new ATOM 0 HE1 HIS A 134 20.312 3.612 20.225 1.00 15.32 H new ATOM 0 HE2 HIS A 134 19.685 4.168 17.832 1.00 1.54 H new TER 2283 HIS A 134