USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 114 ASN : amide:sc= 0.695 K(o=0.7,f=-0.84) USER MOD Set 2.2: A 117 MET CE :methyl -154:sc= 0 (180deg=-0.171) USER MOD Set 3.1: A 64 GLN : amide:sc= 0.995 K(o=2.2,f=-0.014) USER MOD Set 3.2: A 69 HIS : no HD1:sc= 1.2 K(o=2.2,f=-8.9!) USER MOD Set 4.1: A 31 GLN : amide:sc= 1.08 K(o=2.2,f=-0.34) USER MOD Set 4.2: A 35 ASN : amide:sc= 1.12 K(o=2.2,f=0.9) USER MOD Set 5.1: A 8 MET CE :methyl -174:sc=-0.00161 (180deg=-0.0392) USER MOD Set 5.2: A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0356) USER MOD Single : A 1 SER N :NH3+ -133:sc= 0 (180deg=-0.751) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -167:sc=-0.00513 (180deg=-0.241) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.119 X(o=0.12,f=-0.093) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 1.07 K(o=1.1,f=-5.1!) USER MOD Single : A 16 MET CE :methyl 176:sc= -0.322 (180deg=-0.352) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 30 MET CE :methyl -179:sc= 0 (180deg=-0.000174) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.529 K(o=-0.53,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.763 K(o=0.76,f=-0.98) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00887) USER MOD Single : A 66 MET CE :methyl 167:sc= 0 (180deg=-0.187) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 165:sc= -0.0099 (180deg=-0.321) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.00356 K(o=0.0036,f=-6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.302 X(o=-0.3,f=0.0054) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0.944 (180deg=0.915) USER MOD Single : A 95 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-3.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.279 USER MOD Single : A 120 LYS NZ :NH3+ 167:sc= 0.947 (180deg=0.831) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 0.9 (180deg=0.778) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.755 -20.648 -1.853 1.00 12.13 N ATOM 2 CA SER A 1 10.884 -19.421 -1.655 1.00 43.14 C ATOM 3 C SER A 1 10.738 -18.937 -0.221 1.00 34.20 C ATOM 4 O SER A 1 10.746 -17.736 0.049 1.00 22.10 O ATOM 5 CB SER A 1 9.450 -19.667 -2.218 1.00 14.04 C ATOM 6 OG SER A 1 9.451 -19.829 -3.638 1.00 74.23 O ATOM 0 H1 SER A 1 12.414 -20.482 -2.640 1.00 12.13 H new ATOM 0 H2 SER A 1 12.294 -20.835 -0.983 1.00 12.13 H new ATOM 0 H3 SER A 1 11.154 -21.469 -2.071 1.00 12.13 H new ATOM 0 HA SER A 1 11.416 -18.641 -2.199 1.00 43.14 H new ATOM 0 HB2 SER A 1 9.026 -20.556 -1.752 1.00 14.04 H new ATOM 0 HB3 SER A 1 8.807 -18.829 -1.949 1.00 14.04 H new ATOM 0 HG SER A 1 8.535 -19.983 -3.950 1.00 74.23 H new ATOM 14 N LYS A 2 10.587 -19.863 0.753 1.00 4.32 N ATOM 15 CA LYS A 2 10.166 -19.545 2.101 1.00 60.45 C ATOM 16 C LYS A 2 11.364 -19.175 2.943 1.00 4.24 C ATOM 17 O LYS A 2 12.283 -19.963 3.148 1.00 32.43 O ATOM 18 CB LYS A 2 9.420 -20.724 2.773 1.00 62.33 C ATOM 19 CG LYS A 2 8.105 -21.123 2.076 1.00 14.41 C ATOM 20 CD LYS A 2 7.011 -20.041 2.122 1.00 53.33 C ATOM 21 CE LYS A 2 5.696 -20.505 1.493 1.00 64.41 C ATOM 22 NZ LYS A 2 4.690 -19.430 1.592 1.00 1.33 N ATOM 0 H LYS A 2 10.760 -20.857 0.605 1.00 4.32 H new ATOM 0 HA LYS A 2 9.477 -18.703 2.032 1.00 60.45 H new ATOM 0 HB2 LYS A 2 10.081 -21.590 2.798 1.00 62.33 H new ATOM 0 HB3 LYS A 2 9.203 -20.459 3.808 1.00 62.33 H new ATOM 0 HG2 LYS A 2 8.318 -21.364 1.035 1.00 14.41 H new ATOM 0 HG3 LYS A 2 7.722 -22.031 2.541 1.00 14.41 H new ATOM 0 HD2 LYS A 2 6.832 -19.755 3.158 1.00 53.33 H new ATOM 0 HD3 LYS A 2 7.364 -19.151 1.601 1.00 53.33 H new ATOM 0 HE2 LYS A 2 5.856 -20.772 0.448 1.00 64.41 H new ATOM 0 HE3 LYS A 2 5.336 -21.401 1.999 1.00 64.41 H new ATOM 0 HZ1 LYS A 2 3.798 -19.749 1.163 1.00 1.33 H new ATOM 0 HZ2 LYS A 2 4.529 -19.196 2.593 1.00 1.33 H new ATOM 0 HZ3 LYS A 2 5.033 -18.586 1.090 1.00 1.33 H new ATOM 36 N GLU A 3 11.352 -17.911 3.417 1.00 11.13 N ATOM 37 CA GLU A 3 12.354 -17.192 4.157 1.00 34.31 C ATOM 38 C GLU A 3 13.689 -17.094 3.441 1.00 31.33 C ATOM 39 O GLU A 3 14.736 -16.874 4.047 1.00 52.24 O ATOM 40 CB GLU A 3 12.469 -17.786 5.574 1.00 4.21 C ATOM 41 CG GLU A 3 11.186 -17.642 6.433 1.00 23.30 C ATOM 42 CD GLU A 3 11.346 -18.282 7.814 1.00 61.43 C ATOM 43 OE1 GLU A 3 11.506 -19.529 7.868 1.00 41.44 O ATOM 44 OE2 GLU A 3 11.286 -17.531 8.821 1.00 63.34 O ATOM 0 H GLU A 3 10.535 -17.321 3.260 1.00 11.13 H new ATOM 0 HA GLU A 3 12.029 -16.155 4.241 1.00 34.31 H new ATOM 0 HB2 GLU A 3 12.721 -18.843 5.493 1.00 4.21 H new ATOM 0 HB3 GLU A 3 13.296 -17.301 6.093 1.00 4.21 H new ATOM 0 HG2 GLU A 3 10.944 -16.586 6.549 1.00 23.30 H new ATOM 0 HG3 GLU A 3 10.348 -18.106 5.913 1.00 23.30 H new ATOM 51 N VAL A 4 13.643 -17.204 2.096 1.00 70.25 N ATOM 52 CA VAL A 4 14.822 -17.139 1.250 1.00 21.00 C ATOM 53 C VAL A 4 15.011 -15.730 0.759 1.00 42.22 C ATOM 54 O VAL A 4 16.109 -15.179 0.782 1.00 54.24 O ATOM 55 CB VAL A 4 14.698 -17.982 -0.007 1.00 11.13 C ATOM 56 CG1 VAL A 4 15.969 -17.918 -0.889 1.00 25.11 C ATOM 57 CG2 VAL A 4 14.332 -19.419 0.349 1.00 21.31 C ATOM 0 H VAL A 4 12.775 -17.341 1.578 1.00 70.25 H new ATOM 0 HA VAL A 4 15.647 -17.501 1.864 1.00 21.00 H new ATOM 0 HB VAL A 4 13.891 -17.561 -0.606 1.00 11.13 H new ATOM 0 HG11 VAL A 4 15.829 -18.538 -1.775 1.00 25.11 H new ATOM 0 HG12 VAL A 4 16.150 -16.887 -1.192 1.00 25.11 H new ATOM 0 HG13 VAL A 4 16.824 -18.285 -0.322 1.00 25.11 H new ATOM 0 HG21 VAL A 4 14.247 -20.009 -0.563 1.00 21.31 H new ATOM 0 HG22 VAL A 4 15.107 -19.845 0.986 1.00 21.31 H new ATOM 0 HG23 VAL A 4 13.380 -19.431 0.879 1.00 21.31 H new ATOM 67 N MET A 5 13.911 -15.148 0.219 1.00 55.24 N ATOM 68 CA MET A 5 13.984 -14.130 -0.796 1.00 51.43 C ATOM 69 C MET A 5 14.402 -12.821 -0.164 1.00 55.31 C ATOM 70 O MET A 5 15.138 -12.013 -0.725 1.00 1.44 O ATOM 71 CB MET A 5 12.625 -13.938 -1.517 1.00 12.42 C ATOM 72 CG MET A 5 12.189 -15.167 -2.341 1.00 52.32 C ATOM 73 SD MET A 5 10.643 -14.943 -3.280 1.00 21.43 S ATOM 74 CE MET A 5 9.491 -14.868 -1.877 1.00 60.02 C ATOM 0 H MET A 5 12.958 -15.389 0.493 1.00 55.24 H new ATOM 0 HA MET A 5 14.717 -14.448 -1.537 1.00 51.43 H new ATOM 0 HB2 MET A 5 11.857 -13.716 -0.776 1.00 12.42 H new ATOM 0 HB3 MET A 5 12.691 -13.073 -2.176 1.00 12.42 H new ATOM 0 HG2 MET A 5 12.988 -15.423 -3.037 1.00 52.32 H new ATOM 0 HG3 MET A 5 12.070 -16.016 -1.667 1.00 52.32 H new ATOM 0 HE1 MET A 5 8.468 -14.964 -2.241 1.00 60.02 H new ATOM 0 HE2 MET A 5 9.708 -15.681 -1.184 1.00 60.02 H new ATOM 0 HE3 MET A 5 9.605 -13.914 -1.363 1.00 60.02 H new ATOM 84 N LYS A 6 13.872 -12.621 1.054 1.00 64.25 N ATOM 85 CA LYS A 6 14.072 -11.482 1.890 1.00 43.34 C ATOM 86 C LYS A 6 13.859 -12.041 3.276 1.00 71.43 C ATOM 87 O LYS A 6 13.430 -13.190 3.410 1.00 14.05 O ATOM 88 CB LYS A 6 13.060 -10.356 1.612 1.00 74.11 C ATOM 89 CG LYS A 6 11.602 -10.648 2.001 1.00 61.41 C ATOM 90 CD LYS A 6 10.696 -9.430 1.779 1.00 41.20 C ATOM 91 CE LYS A 6 9.956 -9.456 0.444 1.00 44.42 C ATOM 92 NZ LYS A 6 9.080 -8.272 0.342 1.00 33.43 N ATOM 0 H LYS A 6 13.256 -13.310 1.486 1.00 64.25 H new ATOM 0 HA LYS A 6 15.050 -11.027 1.732 1.00 43.34 H new ATOM 0 HB2 LYS A 6 13.385 -9.463 2.145 1.00 74.11 H new ATOM 0 HB3 LYS A 6 13.091 -10.121 0.548 1.00 74.11 H new ATOM 0 HG2 LYS A 6 11.231 -11.488 1.414 1.00 61.41 H new ATOM 0 HG3 LYS A 6 11.559 -10.947 3.048 1.00 61.41 H new ATOM 0 HD2 LYS A 6 9.968 -9.377 2.588 1.00 41.20 H new ATOM 0 HD3 LYS A 6 11.299 -8.524 1.833 1.00 41.20 H new ATOM 0 HE2 LYS A 6 10.670 -9.465 -0.379 1.00 44.42 H new ATOM 0 HE3 LYS A 6 9.364 -10.368 0.362 1.00 44.42 H new ATOM 0 HZ1 LYS A 6 8.576 -8.290 -0.568 1.00 33.43 H new ATOM 0 HZ2 LYS A 6 8.390 -8.282 1.120 1.00 33.43 H new ATOM 0 HZ3 LYS A 6 9.656 -7.408 0.401 1.00 33.43 H new ATOM 106 N GLN A 7 14.162 -11.269 4.338 1.00 45.11 N ATOM 107 CA GLN A 7 13.946 -11.728 5.697 1.00 4.33 C ATOM 108 C GLN A 7 12.734 -11.017 6.257 1.00 65.21 C ATOM 109 O GLN A 7 12.681 -9.790 6.312 1.00 33.33 O ATOM 110 CB GLN A 7 15.182 -11.478 6.601 1.00 11.31 C ATOM 111 CG GLN A 7 16.448 -12.255 6.158 1.00 43.35 C ATOM 112 CD GLN A 7 16.223 -13.772 6.225 1.00 23.43 C ATOM 113 OE1 GLN A 7 16.085 -14.338 7.312 1.00 72.35 O ATOM 114 NE2 GLN A 7 16.169 -14.438 5.042 1.00 75.50 N ATOM 0 H GLN A 7 14.555 -10.330 4.267 1.00 45.11 H new ATOM 0 HA GLN A 7 13.782 -12.805 5.679 1.00 4.33 H new ATOM 0 HB2 GLN A 7 15.406 -10.411 6.608 1.00 11.31 H new ATOM 0 HB3 GLN A 7 14.934 -11.759 7.625 1.00 11.31 H new ATOM 0 HG2 GLN A 7 16.715 -11.969 5.141 1.00 43.35 H new ATOM 0 HG3 GLN A 7 17.288 -11.981 6.797 1.00 43.35 H new ATOM 0 HE21 GLN A 7 16.288 -13.931 4.165 1.00 75.50 H new ATOM 0 HE22 GLN A 7 16.009 -15.445 5.031 1.00 75.50 H new ATOM 123 N MET A 8 11.715 -11.798 6.669 1.00 60.25 N ATOM 124 CA MET A 8 10.482 -11.290 7.216 1.00 73.23 C ATOM 125 C MET A 8 9.847 -12.412 7.999 1.00 11.31 C ATOM 126 O MET A 8 10.201 -13.576 7.812 1.00 2.12 O ATOM 127 CB MET A 8 9.493 -10.787 6.124 1.00 53.42 C ATOM 128 CG MET A 8 9.023 -11.863 5.119 1.00 4.23 C ATOM 129 SD MET A 8 7.823 -11.256 3.893 1.00 0.35 S ATOM 130 CE MET A 8 6.368 -11.381 4.975 1.00 51.34 C ATOM 0 H MET A 8 11.746 -12.816 6.622 1.00 60.25 H new ATOM 0 HA MET A 8 10.706 -10.427 7.843 1.00 73.23 H new ATOM 0 HB2 MET A 8 8.617 -10.364 6.616 1.00 53.42 H new ATOM 0 HB3 MET A 8 9.969 -9.978 5.570 1.00 53.42 H new ATOM 0 HG2 MET A 8 9.892 -12.261 4.595 1.00 4.23 H new ATOM 0 HG3 MET A 8 8.577 -12.690 5.670 1.00 4.23 H new ATOM 0 HE1 MET A 8 5.468 -11.157 4.402 1.00 51.34 H new ATOM 0 HE2 MET A 8 6.300 -12.392 5.377 1.00 51.34 H new ATOM 0 HE3 MET A 8 6.462 -10.670 5.795 1.00 51.34 H new ATOM 140 N THR A 9 8.884 -12.094 8.887 1.00 75.11 N ATOM 141 CA THR A 9 8.017 -13.096 9.479 1.00 12.42 C ATOM 142 C THR A 9 6.663 -12.438 9.614 1.00 54.43 C ATOM 143 O THR A 9 6.568 -11.211 9.693 1.00 71.23 O ATOM 144 CB THR A 9 8.518 -13.657 10.813 1.00 73.43 C ATOM 145 OG1 THR A 9 7.717 -14.753 11.243 1.00 1.22 O ATOM 146 CG2 THR A 9 8.543 -12.596 11.930 1.00 11.11 C ATOM 0 H THR A 9 8.698 -11.142 9.202 1.00 75.11 H new ATOM 0 HA THR A 9 7.984 -13.977 8.838 1.00 12.42 H new ATOM 0 HB THR A 9 9.540 -13.991 10.631 1.00 73.43 H new ATOM 0 HG1 THR A 9 8.059 -15.094 12.096 1.00 1.22 H new ATOM 0 HG21 THR A 9 8.906 -13.048 12.853 1.00 11.11 H new ATOM 0 HG22 THR A 9 9.204 -11.779 11.641 1.00 11.11 H new ATOM 0 HG23 THR A 9 7.536 -12.209 12.087 1.00 11.11 H new ATOM 154 N ILE A 10 5.576 -13.238 9.597 1.00 22.12 N ATOM 155 CA ILE A 10 4.206 -12.762 9.672 1.00 2.21 C ATOM 156 C ILE A 10 3.837 -12.303 11.079 1.00 60.53 C ATOM 157 O ILE A 10 4.164 -12.936 12.082 1.00 24.24 O ATOM 158 CB ILE A 10 3.225 -13.799 9.115 1.00 62.02 C ATOM 159 CG1 ILE A 10 1.780 -13.241 9.015 1.00 41.34 C ATOM 160 CG2 ILE A 10 3.326 -15.131 9.893 1.00 14.20 C ATOM 161 CD1 ILE A 10 0.829 -14.126 8.200 1.00 20.42 C ATOM 0 H ILE A 10 5.644 -14.253 9.529 1.00 22.12 H new ATOM 0 HA ILE A 10 4.129 -11.880 9.036 1.00 2.21 H new ATOM 0 HB ILE A 10 3.514 -14.022 8.088 1.00 62.02 H new ATOM 0 HG12 ILE A 10 1.377 -13.120 10.020 1.00 41.34 H new ATOM 0 HG13 ILE A 10 1.814 -12.249 8.564 1.00 41.34 H new ATOM 0 HG21 ILE A 10 2.619 -15.849 9.478 1.00 14.20 H new ATOM 0 HG22 ILE A 10 4.338 -15.526 9.808 1.00 14.20 H new ATOM 0 HG23 ILE A 10 3.092 -14.958 10.943 1.00 14.20 H new ATOM 0 HD11 ILE A 10 -0.161 -13.670 8.176 1.00 20.42 H new ATOM 0 HD12 ILE A 10 1.208 -14.226 7.183 1.00 20.42 H new ATOM 0 HD13 ILE A 10 0.763 -15.111 8.662 1.00 20.42 H new ATOM 173 N ASN A 11 3.170 -11.133 11.185 1.00 5.11 N ATOM 174 CA ASN A 11 2.904 -10.494 12.452 1.00 31.21 C ATOM 175 C ASN A 11 1.688 -9.592 12.284 1.00 60.13 C ATOM 176 O ASN A 11 1.051 -9.585 11.231 1.00 61.02 O ATOM 177 CB ASN A 11 4.162 -9.723 12.970 1.00 54.31 C ATOM 178 CG ASN A 11 4.586 -8.572 12.053 1.00 42.35 C ATOM 179 OD1 ASN A 11 4.034 -7.476 12.183 1.00 4.45 O ATOM 180 ND2 ASN A 11 5.545 -8.805 11.121 1.00 62.43 N ATOM 0 H ASN A 11 2.808 -10.620 10.381 1.00 5.11 H new ATOM 0 HA ASN A 11 2.683 -11.240 13.215 1.00 31.21 H new ATOM 0 HB2 ASN A 11 3.954 -9.328 13.965 1.00 54.31 H new ATOM 0 HB3 ASN A 11 4.992 -10.422 13.072 1.00 54.31 H new ATOM 0 HD21 ASN A 11 5.837 -8.057 10.492 1.00 62.43 H new ATOM 0 HD22 ASN A 11 5.974 -9.728 11.050 1.00 62.43 H new ATOM 187 N PHE A 12 1.333 -8.811 13.332 1.00 10.22 N ATOM 188 CA PHE A 12 0.170 -7.941 13.365 1.00 31.31 C ATOM 189 C PHE A 12 0.205 -6.749 12.412 1.00 11.12 C ATOM 190 O PHE A 12 -0.827 -6.127 12.168 1.00 2.42 O ATOM 191 CB PHE A 12 -0.130 -7.455 14.820 1.00 24.20 C ATOM 192 CG PHE A 12 0.965 -6.609 15.430 1.00 74.41 C ATOM 193 CD1 PHE A 12 0.999 -5.219 15.215 1.00 73.12 C ATOM 194 CD2 PHE A 12 1.940 -7.190 16.259 1.00 50.23 C ATOM 195 CE1 PHE A 12 2.007 -4.432 15.786 1.00 10.11 C ATOM 196 CE2 PHE A 12 2.944 -6.404 16.841 1.00 65.14 C ATOM 197 CZ PHE A 12 2.980 -5.025 16.599 1.00 21.24 C ATOM 0 H PHE A 12 1.875 -8.780 14.196 1.00 10.22 H new ATOM 0 HA PHE A 12 -0.640 -8.573 13.001 1.00 31.31 H new ATOM 0 HB2 PHE A 12 -1.057 -6.881 14.815 1.00 24.20 H new ATOM 0 HB3 PHE A 12 -0.297 -8.325 15.454 1.00 24.20 H new ATOM 0 HD1 PHE A 12 0.240 -4.754 14.603 1.00 73.12 H new ATOM 0 HD2 PHE A 12 1.915 -8.253 16.449 1.00 50.23 H new ATOM 0 HE1 PHE A 12 2.034 -3.369 15.599 1.00 10.11 H new ATOM 0 HE2 PHE A 12 3.689 -6.861 17.475 1.00 65.14 H new ATOM 0 HZ PHE A 12 3.758 -4.419 17.039 1.00 21.24 H new ATOM 207 N ALA A 13 1.380 -6.379 11.853 1.00 51.42 N ATOM 208 CA ALA A 13 1.516 -5.252 10.954 1.00 44.00 C ATOM 209 C ALA A 13 0.775 -5.342 9.633 1.00 62.13 C ATOM 210 O ALA A 13 0.365 -4.311 9.104 1.00 31.54 O ATOM 211 CB ALA A 13 2.994 -4.973 10.656 1.00 50.13 C ATOM 0 H ALA A 13 2.257 -6.870 12.026 1.00 51.42 H new ATOM 0 HA ALA A 13 1.043 -4.439 11.505 1.00 44.00 H new ATOM 0 HB1 ALA A 13 3.074 -4.123 9.979 1.00 50.13 H new ATOM 0 HB2 ALA A 13 3.516 -4.747 11.586 1.00 50.13 H new ATOM 0 HB3 ALA A 13 3.443 -5.851 10.191 1.00 50.13 H new ATOM 217 N LYS A 14 0.583 -6.547 9.043 1.00 61.22 N ATOM 218 CA LYS A 14 -0.023 -6.685 7.730 1.00 25.45 C ATOM 219 C LYS A 14 -1.466 -6.189 7.653 1.00 21.33 C ATOM 220 O LYS A 14 -1.734 -5.416 6.731 1.00 44.04 O ATOM 221 CB LYS A 14 0.066 -8.146 7.192 1.00 61.11 C ATOM 222 CG LYS A 14 1.465 -8.578 6.694 1.00 53.21 C ATOM 223 CD LYS A 14 2.533 -8.799 7.783 1.00 41.41 C ATOM 224 CE LYS A 14 3.874 -9.312 7.249 1.00 3.11 C ATOM 225 NZ LYS A 14 4.509 -8.287 6.397 1.00 72.32 N ATOM 0 H LYS A 14 0.847 -7.433 9.473 1.00 61.22 H new ATOM 0 HA LYS A 14 0.570 -6.033 7.089 1.00 25.45 H new ATOM 0 HB2 LYS A 14 -0.247 -8.828 7.983 1.00 61.11 H new ATOM 0 HB3 LYS A 14 -0.645 -8.259 6.373 1.00 61.11 H new ATOM 0 HG2 LYS A 14 1.357 -9.502 6.127 1.00 53.21 H new ATOM 0 HG3 LYS A 14 1.832 -7.820 6.002 1.00 53.21 H new ATOM 0 HD2 LYS A 14 2.699 -7.859 8.310 1.00 41.41 H new ATOM 0 HD3 LYS A 14 2.149 -9.510 8.514 1.00 41.41 H new ATOM 0 HE2 LYS A 14 4.533 -9.563 8.080 1.00 3.11 H new ATOM 0 HE3 LYS A 14 3.720 -10.227 6.677 1.00 3.11 H new ATOM 0 HZ1 LYS A 14 5.454 -8.611 6.110 1.00 72.32 H new ATOM 0 HZ2 LYS A 14 3.925 -8.129 5.551 1.00 72.32 H new ATOM 0 HZ3 LYS A 14 4.595 -7.398 6.929 1.00 72.32 H new ATOM 239 N PRO A 15 -2.427 -6.487 8.539 1.00 11.32 N ATOM 240 CA PRO A 15 -3.676 -5.742 8.580 1.00 24.43 C ATOM 241 C PRO A 15 -3.519 -4.317 9.067 1.00 54.22 C ATOM 242 O PRO A 15 -4.332 -3.477 8.693 1.00 21.32 O ATOM 243 CB PRO A 15 -4.570 -6.557 9.519 1.00 0.10 C ATOM 244 CG PRO A 15 -3.615 -7.328 10.432 1.00 53.30 C ATOM 245 CD PRO A 15 -2.362 -7.524 9.574 1.00 21.31 C ATOM 0 HA PRO A 15 -4.094 -5.628 7.580 1.00 24.43 H new ATOM 0 HB2 PRO A 15 -5.226 -5.907 10.098 1.00 0.10 H new ATOM 0 HB3 PRO A 15 -5.210 -7.237 8.958 1.00 0.10 H new ATOM 0 HG2 PRO A 15 -3.393 -6.769 11.341 1.00 53.30 H new ATOM 0 HG3 PRO A 15 -4.041 -8.283 10.741 1.00 53.30 H new ATOM 0 HD2 PRO A 15 -1.457 -7.424 10.173 1.00 21.31 H new ATOM 0 HD3 PRO A 15 -2.342 -8.520 9.131 1.00 21.31 H new ATOM 253 N MET A 16 -2.511 -3.999 9.908 1.00 51.50 N ATOM 254 CA MET A 16 -2.395 -2.686 10.508 1.00 34.25 C ATOM 255 C MET A 16 -2.008 -1.619 9.484 1.00 31.35 C ATOM 256 O MET A 16 -2.568 -0.524 9.463 1.00 13.12 O ATOM 257 CB MET A 16 -1.389 -2.761 11.676 1.00 73.51 C ATOM 258 CG MET A 16 -1.393 -1.544 12.616 1.00 12.52 C ATOM 259 SD MET A 16 -2.882 -1.335 13.638 1.00 62.01 S ATOM 260 CE MET A 16 -2.634 -2.764 14.735 1.00 34.00 C ATOM 0 H MET A 16 -1.772 -4.648 10.177 1.00 51.50 H new ATOM 0 HA MET A 16 -3.368 -2.383 10.894 1.00 34.25 H new ATOM 0 HB2 MET A 16 -1.602 -3.655 12.262 1.00 73.51 H new ATOM 0 HB3 MET A 16 -0.386 -2.881 11.265 1.00 73.51 H new ATOM 0 HG2 MET A 16 -0.529 -1.617 13.277 1.00 12.52 H new ATOM 0 HG3 MET A 16 -1.259 -0.645 12.015 1.00 12.52 H new ATOM 0 HE1 MET A 16 -3.414 -2.778 15.496 1.00 34.00 H new ATOM 0 HE2 MET A 16 -2.680 -3.683 14.151 1.00 34.00 H new ATOM 0 HE3 MET A 16 -1.659 -2.688 15.216 1.00 34.00 H new ATOM 270 N GLU A 17 -1.047 -1.937 8.577 1.00 63.33 N ATOM 271 CA GLU A 17 -0.643 -1.080 7.471 1.00 63.31 C ATOM 272 C GLU A 17 -1.721 -0.986 6.408 1.00 74.33 C ATOM 273 O GLU A 17 -1.911 0.053 5.773 1.00 11.01 O ATOM 274 CB GLU A 17 0.699 -1.542 6.825 1.00 33.20 C ATOM 275 CG GLU A 17 0.681 -2.906 6.086 1.00 33.23 C ATOM 276 CD GLU A 17 2.064 -3.305 5.568 1.00 70.10 C ATOM 277 OE1 GLU A 17 2.220 -3.384 4.321 1.00 1.55 O ATOM 278 OE2 GLU A 17 2.965 -3.548 6.412 1.00 4.25 O ATOM 0 H GLU A 17 -0.532 -2.817 8.610 1.00 63.33 H new ATOM 0 HA GLU A 17 -0.489 -0.089 7.899 1.00 63.31 H new ATOM 0 HB2 GLU A 17 1.018 -0.776 6.118 1.00 33.20 H new ATOM 0 HB3 GLU A 17 1.456 -1.589 7.608 1.00 33.20 H new ATOM 0 HG2 GLU A 17 0.312 -3.678 6.762 1.00 33.23 H new ATOM 0 HG3 GLU A 17 -0.017 -2.854 5.250 1.00 33.23 H new ATOM 285 N ALA A 18 -2.493 -2.081 6.210 1.00 20.13 N ATOM 286 CA ALA A 18 -3.645 -2.108 5.339 1.00 74.23 C ATOM 287 C ALA A 18 -4.720 -1.137 5.799 1.00 63.41 C ATOM 288 O ALA A 18 -5.215 -0.336 5.017 1.00 71.23 O ATOM 289 CB ALA A 18 -4.215 -3.533 5.267 1.00 70.14 C ATOM 0 H ALA A 18 -2.312 -2.974 6.668 1.00 20.13 H new ATOM 0 HA ALA A 18 -3.320 -1.796 4.346 1.00 74.23 H new ATOM 0 HB1 ALA A 18 -5.083 -3.545 4.608 1.00 70.14 H new ATOM 0 HB2 ALA A 18 -3.455 -4.210 4.877 1.00 70.14 H new ATOM 0 HB3 ALA A 18 -4.512 -3.857 6.264 1.00 70.14 H new ATOM 295 N CYS A 19 -5.024 -1.110 7.109 1.00 64.22 N ATOM 296 CA CYS A 19 -5.952 -0.186 7.743 1.00 75.55 C ATOM 297 C CYS A 19 -5.469 1.255 7.824 1.00 54.31 C ATOM 298 O CYS A 19 -6.172 2.117 8.339 1.00 60.14 O ATOM 299 CB CYS A 19 -6.278 -0.668 9.165 1.00 54.21 C ATOM 300 SG CYS A 19 -7.206 -2.227 9.111 1.00 0.23 S ATOM 0 H CYS A 19 -4.607 -1.762 7.773 1.00 64.22 H new ATOM 0 HA CYS A 19 -6.832 -0.184 7.100 1.00 75.55 H new ATOM 0 HB2 CYS A 19 -5.355 -0.807 9.729 1.00 54.21 H new ATOM 0 HB3 CYS A 19 -6.860 0.091 9.688 1.00 54.21 H new ATOM 305 N LYS A 20 -4.255 1.584 7.349 1.00 20.42 N ATOM 306 CA LYS A 20 -3.900 2.970 7.111 1.00 64.44 C ATOM 307 C LYS A 20 -4.259 3.367 5.672 1.00 54.12 C ATOM 308 O LYS A 20 -4.900 4.386 5.419 1.00 23.41 O ATOM 309 CB LYS A 20 -2.394 3.142 7.446 1.00 64.22 C ATOM 310 CG LYS A 20 -1.854 4.584 7.435 1.00 72.40 C ATOM 311 CD LYS A 20 -1.429 5.159 6.077 1.00 0.05 C ATOM 312 CE LYS A 20 -0.051 4.677 5.628 1.00 33.03 C ATOM 313 NZ LYS A 20 0.265 5.231 4.298 1.00 12.22 N ATOM 0 H LYS A 20 -3.521 0.911 7.129 1.00 20.42 H new ATOM 0 HA LYS A 20 -4.466 3.645 7.753 1.00 64.44 H new ATOM 0 HB2 LYS A 20 -2.212 2.716 8.433 1.00 64.22 H new ATOM 0 HB3 LYS A 20 -1.815 2.554 6.733 1.00 64.22 H new ATOM 0 HG2 LYS A 20 -2.621 5.236 7.854 1.00 72.40 H new ATOM 0 HG3 LYS A 20 -0.996 4.629 8.106 1.00 72.40 H new ATOM 0 HD2 LYS A 20 -2.167 4.882 5.325 1.00 0.05 H new ATOM 0 HD3 LYS A 20 -1.426 6.247 6.135 1.00 0.05 H new ATOM 0 HE2 LYS A 20 0.705 4.986 6.350 1.00 33.03 H new ATOM 0 HE3 LYS A 20 -0.031 3.588 5.592 1.00 33.03 H new ATOM 0 HZ1 LYS A 20 1.204 4.899 3.998 1.00 12.22 H new ATOM 0 HZ2 LYS A 20 -0.449 4.915 3.612 1.00 12.22 H new ATOM 0 HZ3 LYS A 20 0.264 6.270 4.345 1.00 12.22 H new ATOM 327 N GLN A 21 -3.887 2.546 4.665 1.00 3.21 N ATOM 328 CA GLN A 21 -4.093 2.871 3.258 1.00 62.11 C ATOM 329 C GLN A 21 -5.504 2.630 2.754 1.00 33.10 C ATOM 330 O GLN A 21 -6.030 3.417 1.972 1.00 51.31 O ATOM 331 CB GLN A 21 -3.105 2.098 2.363 1.00 4.13 C ATOM 332 CG GLN A 21 -3.362 0.582 2.333 1.00 25.24 C ATOM 333 CD GLN A 21 -2.149 -0.217 1.896 1.00 51.44 C ATOM 334 OE1 GLN A 21 -1.943 -0.564 0.733 1.00 20.04 O ATOM 335 NE2 GLN A 21 -1.350 -0.587 2.929 1.00 52.41 N ATOM 0 H GLN A 21 -3.437 1.643 4.817 1.00 3.21 H new ATOM 0 HA GLN A 21 -3.914 3.944 3.195 1.00 62.11 H new ATOM 0 HB2 GLN A 21 -3.165 2.489 1.347 1.00 4.13 H new ATOM 0 HB3 GLN A 21 -2.090 2.280 2.715 1.00 4.13 H new ATOM 0 HG2 GLN A 21 -3.669 0.252 3.325 1.00 25.24 H new ATOM 0 HG3 GLN A 21 -4.191 0.373 1.656 1.00 25.24 H new ATOM 0 HE21 GLN A 21 -1.563 -0.273 3.876 1.00 52.41 H new ATOM 0 HE22 GLN A 21 -0.537 -1.179 2.758 1.00 52.41 H new ATOM 344 N GLU A 22 -6.163 1.551 3.243 1.00 62.21 N ATOM 345 CA GLU A 22 -7.513 1.091 2.909 1.00 73.33 C ATOM 346 C GLU A 22 -8.515 2.152 3.225 1.00 55.44 C ATOM 347 O GLU A 22 -9.492 2.373 2.515 1.00 2.11 O ATOM 348 CB GLU A 22 -7.884 -0.195 3.665 1.00 33.35 C ATOM 349 CG GLU A 22 -9.245 -0.803 3.251 1.00 1.24 C ATOM 350 CD GLU A 22 -9.296 -1.291 1.799 1.00 32.42 C ATOM 351 OE1 GLU A 22 -10.200 -0.838 1.052 1.00 32.14 O ATOM 352 OE2 GLU A 22 -8.440 -2.141 1.441 1.00 40.34 O ATOM 0 H GLU A 22 -5.723 0.941 3.932 1.00 62.21 H new ATOM 0 HA GLU A 22 -7.524 0.875 1.841 1.00 73.33 H new ATOM 0 HB2 GLU A 22 -7.103 -0.937 3.502 1.00 33.35 H new ATOM 0 HB3 GLU A 22 -7.904 0.018 4.734 1.00 33.35 H new ATOM 0 HG2 GLU A 22 -9.474 -1.639 3.912 1.00 1.24 H new ATOM 0 HG3 GLU A 22 -10.025 -0.056 3.400 1.00 1.24 H new ATOM 359 N LEU A 23 -8.254 2.837 4.342 1.00 14.13 N ATOM 360 CA LEU A 23 -9.153 3.817 4.882 1.00 41.14 C ATOM 361 C LEU A 23 -8.857 5.171 4.252 1.00 23.43 C ATOM 362 O LEU A 23 -9.590 6.133 4.468 1.00 74.41 O ATOM 363 CB LEU A 23 -8.957 3.928 6.398 1.00 71.35 C ATOM 364 CG LEU A 23 -9.073 2.602 7.175 1.00 33.33 C ATOM 365 CD1 LEU A 23 -9.312 2.841 8.670 1.00 20.41 C ATOM 366 CD2 LEU A 23 -9.947 1.478 6.625 1.00 4.52 C ATOM 0 H LEU A 23 -7.402 2.714 4.889 1.00 14.13 H new ATOM 0 HA LEU A 23 -10.178 3.515 4.667 1.00 41.14 H new ATOM 0 HB2 LEU A 23 -7.974 4.358 6.590 1.00 71.35 H new ATOM 0 HB3 LEU A 23 -9.694 4.627 6.793 1.00 71.35 H new ATOM 0 HG LEU A 23 -8.083 2.178 7.007 1.00 33.33 H new ATOM 0 HD11 LEU A 23 -9.388 1.883 9.184 1.00 20.41 H new ATOM 0 HD12 LEU A 23 -8.480 3.410 9.085 1.00 20.41 H new ATOM 0 HD13 LEU A 23 -10.238 3.400 8.806 1.00 20.41 H new ATOM 0 HD21 LEU A 23 -9.909 0.624 7.301 1.00 4.52 H new ATOM 0 HD22 LEU A 23 -10.976 1.827 6.538 1.00 4.52 H new ATOM 0 HD23 LEU A 23 -9.581 1.180 5.643 1.00 4.52 H new ATOM 378 N ASN A 24 -7.757 5.249 3.455 1.00 52.52 N ATOM 379 CA ASN A 24 -7.198 6.418 2.815 1.00 70.35 C ATOM 380 C ASN A 24 -6.841 7.538 3.794 1.00 45.24 C ATOM 381 O ASN A 24 -7.142 8.709 3.569 1.00 1.05 O ATOM 382 CB ASN A 24 -8.157 6.931 1.713 1.00 63.23 C ATOM 383 CG ASN A 24 -8.413 6.032 0.494 1.00 12.44 C ATOM 384 OD1 ASN A 24 -9.362 6.301 -0.250 1.00 24.02 O ATOM 385 ND2 ASN A 24 -7.596 4.981 0.242 1.00 43.34 N ATOM 0 H ASN A 24 -7.211 4.414 3.242 1.00 52.52 H new ATOM 0 HA ASN A 24 -6.256 6.108 2.363 1.00 70.35 H new ATOM 0 HB2 ASN A 24 -9.119 7.139 2.180 1.00 63.23 H new ATOM 0 HB3 ASN A 24 -7.767 7.882 1.349 1.00 63.23 H new ATOM 0 HD21 ASN A 24 -7.758 4.393 -0.576 1.00 43.34 H new ATOM 0 HD22 ASN A 24 -6.818 4.777 0.870 1.00 43.34 H new ATOM 392 N VAL A 25 -6.170 7.188 4.913 1.00 23.32 N ATOM 393 CA VAL A 25 -5.877 8.090 6.014 1.00 44.25 C ATOM 394 C VAL A 25 -4.380 8.276 6.166 1.00 14.14 C ATOM 395 O VAL A 25 -3.602 7.471 5.654 1.00 33.43 O ATOM 396 CB VAL A 25 -6.479 7.627 7.341 1.00 14.44 C ATOM 397 CG1 VAL A 25 -8.010 7.646 7.228 1.00 22.13 C ATOM 398 CG2 VAL A 25 -5.985 6.219 7.728 1.00 14.43 C ATOM 0 H VAL A 25 -5.815 6.244 5.065 1.00 23.32 H new ATOM 0 HA VAL A 25 -6.343 9.043 5.764 1.00 44.25 H new ATOM 0 HB VAL A 25 -6.156 8.309 8.128 1.00 14.44 H new ATOM 0 HG11 VAL A 25 -8.448 7.317 8.170 1.00 22.13 H new ATOM 0 HG12 VAL A 25 -8.346 8.659 7.005 1.00 22.13 H new ATOM 0 HG13 VAL A 25 -8.324 6.976 6.428 1.00 22.13 H new ATOM 0 HG21 VAL A 25 -6.434 5.924 8.676 1.00 14.43 H new ATOM 0 HG22 VAL A 25 -6.272 5.507 6.954 1.00 14.43 H new ATOM 0 HG23 VAL A 25 -4.900 6.229 7.828 1.00 14.43 H new ATOM 408 N PRO A 26 -3.904 9.327 6.831 1.00 11.52 N ATOM 409 CA PRO A 26 -2.501 9.461 7.181 1.00 32.41 C ATOM 410 C PRO A 26 -2.063 8.517 8.283 1.00 32.34 C ATOM 411 O PRO A 26 -2.866 7.971 9.038 1.00 71.13 O ATOM 412 CB PRO A 26 -2.372 10.925 7.635 1.00 63.31 C ATOM 413 CG PRO A 26 -3.755 11.269 8.177 1.00 53.11 C ATOM 414 CD PRO A 26 -4.679 10.506 7.229 1.00 11.21 C ATOM 0 HA PRO A 26 -1.860 9.205 6.337 1.00 32.41 H new ATOM 0 HB2 PRO A 26 -1.604 11.039 8.400 1.00 63.31 H new ATOM 0 HB3 PRO A 26 -2.095 11.577 6.806 1.00 63.31 H new ATOM 0 HG2 PRO A 26 -3.878 10.946 9.211 1.00 53.11 H new ATOM 0 HG3 PRO A 26 -3.945 12.342 8.153 1.00 53.11 H new ATOM 0 HD2 PRO A 26 -5.608 10.222 7.723 1.00 11.21 H new ATOM 0 HD3 PRO A 26 -4.950 11.113 6.365 1.00 11.21 H new ATOM 422 N ASP A 27 -0.728 8.370 8.390 1.00 3.45 N ATOM 423 CA ASP A 27 0.018 7.549 9.320 1.00 21.01 C ATOM 424 C ASP A 27 -0.192 8.054 10.738 1.00 41.44 C ATOM 425 O ASP A 27 -0.109 7.310 11.707 1.00 14.52 O ATOM 426 CB ASP A 27 1.514 7.561 8.902 1.00 54.53 C ATOM 427 CG ASP A 27 2.353 6.537 9.666 1.00 65.22 C ATOM 428 OD1 ASP A 27 3.298 6.968 10.375 1.00 15.54 O ATOM 429 OD2 ASP A 27 2.061 5.323 9.522 1.00 21.13 O ATOM 0 H ASP A 27 -0.102 8.876 7.763 1.00 3.45 H new ATOM 0 HA ASP A 27 -0.334 6.518 9.296 1.00 21.01 H new ATOM 0 HB2 ASP A 27 1.589 7.360 7.833 1.00 54.53 H new ATOM 0 HB3 ASP A 27 1.925 8.557 9.069 1.00 54.53 H new ATOM 434 N ALA A 28 -0.508 9.357 10.858 1.00 13.22 N ATOM 435 CA ALA A 28 -0.865 10.033 12.075 1.00 34.43 C ATOM 436 C ALA A 28 -2.084 9.433 12.756 1.00 22.05 C ATOM 437 O ALA A 28 -2.149 9.357 13.981 1.00 32.12 O ATOM 438 CB ALA A 28 -1.141 11.514 11.771 1.00 42.32 C ATOM 0 H ALA A 28 -0.515 9.982 10.052 1.00 13.22 H new ATOM 0 HA ALA A 28 -0.024 9.920 12.759 1.00 34.43 H new ATOM 0 HB1 ALA A 28 -1.412 12.030 12.692 1.00 42.32 H new ATOM 0 HB2 ALA A 28 -0.246 11.972 11.349 1.00 42.32 H new ATOM 0 HB3 ALA A 28 -1.960 11.592 11.057 1.00 42.32 H new ATOM 444 N VAL A 29 -3.106 8.993 11.992 1.00 51.53 N ATOM 445 CA VAL A 29 -4.305 8.502 12.643 1.00 62.12 C ATOM 446 C VAL A 29 -4.181 7.048 13.078 1.00 71.14 C ATOM 447 O VAL A 29 -4.727 6.666 14.106 1.00 71.12 O ATOM 448 CB VAL A 29 -5.576 8.703 11.841 1.00 70.23 C ATOM 449 CG1 VAL A 29 -5.654 10.101 11.187 1.00 13.33 C ATOM 450 CG2 VAL A 29 -5.886 7.562 10.874 1.00 15.02 C ATOM 0 H VAL A 29 -3.115 8.973 10.972 1.00 51.53 H new ATOM 0 HA VAL A 29 -4.395 9.124 13.533 1.00 62.12 H new ATOM 0 HB VAL A 29 -6.385 8.668 12.571 1.00 70.23 H new ATOM 0 HG11 VAL A 29 -6.584 10.189 10.626 1.00 13.33 H new ATOM 0 HG12 VAL A 29 -5.624 10.867 11.962 1.00 13.33 H new ATOM 0 HG13 VAL A 29 -4.809 10.234 10.512 1.00 13.33 H new ATOM 0 HG21 VAL A 29 -6.810 7.780 10.338 1.00 15.02 H new ATOM 0 HG22 VAL A 29 -5.068 7.457 10.161 1.00 15.02 H new ATOM 0 HG23 VAL A 29 -6.001 6.633 11.432 1.00 15.02 H new ATOM 460 N MET A 30 -3.456 6.173 12.332 1.00 70.52 N ATOM 461 CA MET A 30 -3.290 4.785 12.754 1.00 42.13 C ATOM 462 C MET A 30 -2.426 4.680 14.005 1.00 61.02 C ATOM 463 O MET A 30 -2.642 3.829 14.866 1.00 12.41 O ATOM 464 CB MET A 30 -2.723 3.896 11.612 1.00 70.31 C ATOM 465 CG MET A 30 -1.255 4.165 11.228 1.00 71.30 C ATOM 466 SD MET A 30 -0.018 3.113 12.056 1.00 34.52 S ATOM 467 CE MET A 30 -0.193 1.742 10.878 1.00 64.32 C ATOM 0 H MET A 30 -2.992 6.411 11.456 1.00 70.52 H new ATOM 0 HA MET A 30 -4.283 4.409 13.000 1.00 42.13 H new ATOM 0 HB2 MET A 30 -2.817 2.851 11.908 1.00 70.31 H new ATOM 0 HB3 MET A 30 -3.343 4.034 10.726 1.00 70.31 H new ATOM 0 HG2 MET A 30 -1.151 4.038 10.150 1.00 71.30 H new ATOM 0 HG3 MET A 30 -1.026 5.207 11.449 1.00 71.30 H new ATOM 0 HE1 MET A 30 0.466 0.924 11.171 1.00 64.32 H new ATOM 0 HE2 MET A 30 -1.226 1.393 10.876 1.00 64.32 H new ATOM 0 HE3 MET A 30 0.076 2.084 9.879 1.00 64.32 H new ATOM 477 N GLN A 31 -1.450 5.610 14.165 1.00 61.20 N ATOM 478 CA GLN A 31 -0.572 5.668 15.315 1.00 61.41 C ATOM 479 C GLN A 31 -1.260 6.225 16.534 1.00 34.43 C ATOM 480 O GLN A 31 -0.830 6.003 17.664 1.00 73.23 O ATOM 481 CB GLN A 31 0.752 6.411 14.992 1.00 2.13 C ATOM 482 CG GLN A 31 0.751 7.921 14.685 1.00 1.43 C ATOM 483 CD GLN A 31 0.775 8.812 15.920 1.00 23.14 C ATOM 484 OE1 GLN A 31 1.766 8.898 16.648 1.00 22.54 O ATOM 485 NE2 GLN A 31 -0.373 9.496 16.143 1.00 32.43 N ATOM 0 H GLN A 31 -1.265 6.341 13.478 1.00 61.20 H new ATOM 0 HA GLN A 31 -0.305 4.640 15.561 1.00 61.41 H new ATOM 0 HB2 GLN A 31 1.422 6.256 15.838 1.00 2.13 H new ATOM 0 HB3 GLN A 31 1.200 5.909 14.134 1.00 2.13 H new ATOM 0 HG2 GLN A 31 1.617 8.155 14.066 1.00 1.43 H new ATOM 0 HG3 GLN A 31 -0.135 8.160 14.096 1.00 1.43 H new ATOM 0 HE21 GLN A 31 -1.163 9.387 15.507 1.00 32.43 H new ATOM 0 HE22 GLN A 31 -0.447 10.120 16.946 1.00 32.43 H new ATOM 494 N ASP A 32 -2.418 6.895 16.341 1.00 42.55 N ATOM 495 CA ASP A 32 -3.287 7.286 17.438 1.00 40.10 C ATOM 496 C ASP A 32 -3.788 6.085 18.249 1.00 10.40 C ATOM 497 O ASP A 32 -3.867 6.160 19.470 1.00 63.25 O ATOM 498 CB ASP A 32 -4.509 8.090 16.942 1.00 63.44 C ATOM 499 CG ASP A 32 -4.215 9.517 16.502 1.00 71.21 C ATOM 500 OD1 ASP A 32 -3.168 10.081 16.904 1.00 32.14 O ATOM 501 OD2 ASP A 32 -5.098 10.076 15.794 1.00 20.42 O ATOM 0 H ASP A 32 -2.762 7.171 15.421 1.00 42.55 H new ATOM 0 HA ASP A 32 -2.673 7.914 18.084 1.00 40.10 H new ATOM 0 HB2 ASP A 32 -4.960 7.555 16.106 1.00 63.44 H new ATOM 0 HB3 ASP A 32 -5.252 8.119 17.739 1.00 63.44 H new ATOM 506 N PHE A 33 -4.097 4.941 17.595 1.00 64.12 N ATOM 507 CA PHE A 33 -4.378 3.666 18.258 1.00 52.22 C ATOM 508 C PHE A 33 -3.218 3.131 19.096 1.00 40.53 C ATOM 509 O PHE A 33 -3.418 2.606 20.183 1.00 43.42 O ATOM 510 CB PHE A 33 -4.909 2.635 17.219 1.00 61.30 C ATOM 511 CG PHE A 33 -5.030 1.204 17.692 1.00 42.03 C ATOM 512 CD1 PHE A 33 -4.074 0.258 17.280 1.00 62.41 C ATOM 513 CD2 PHE A 33 -6.073 0.785 18.528 1.00 10.52 C ATOM 514 CE1 PHE A 33 -4.197 -1.088 17.647 1.00 74.52 C ATOM 515 CE2 PHE A 33 -6.245 -0.574 18.832 1.00 3.23 C ATOM 516 CZ PHE A 33 -5.297 -1.510 18.402 1.00 34.32 C ATOM 0 H PHE A 33 -4.156 4.887 16.578 1.00 64.12 H new ATOM 0 HA PHE A 33 -5.162 3.848 18.993 1.00 52.22 H new ATOM 0 HB2 PHE A 33 -5.890 2.967 16.880 1.00 61.30 H new ATOM 0 HB3 PHE A 33 -4.249 2.653 16.352 1.00 61.30 H new ATOM 0 HD1 PHE A 33 -3.237 0.573 16.675 1.00 62.41 H new ATOM 0 HD2 PHE A 33 -6.752 1.515 18.943 1.00 10.52 H new ATOM 0 HE1 PHE A 33 -3.443 -1.800 17.347 1.00 74.52 H new ATOM 0 HE2 PHE A 33 -7.107 -0.897 19.397 1.00 3.23 H new ATOM 0 HZ PHE A 33 -5.414 -2.554 18.652 1.00 34.32 H new ATOM 526 N PHE A 34 -1.967 3.234 18.627 1.00 5.11 N ATOM 527 CA PHE A 34 -0.802 2.861 19.433 1.00 30.14 C ATOM 528 C PHE A 34 -0.596 3.751 20.665 1.00 15.24 C ATOM 529 O PHE A 34 -0.334 3.261 21.762 1.00 41.21 O ATOM 530 CB PHE A 34 0.493 2.832 18.577 1.00 43.30 C ATOM 531 CG PHE A 34 0.474 1.626 17.671 1.00 22.35 C ATOM 532 CD1 PHE A 34 0.969 0.398 18.145 1.00 54.32 C ATOM 533 CD2 PHE A 34 -0.062 1.681 16.372 1.00 42.03 C ATOM 534 CE1 PHE A 34 0.946 -0.745 17.335 1.00 62.24 C ATOM 535 CE2 PHE A 34 -0.088 0.542 15.559 1.00 62.33 C ATOM 536 CZ PHE A 34 0.420 -0.671 16.040 1.00 33.24 C ATOM 0 H PHE A 34 -1.738 3.573 17.693 1.00 5.11 H new ATOM 0 HA PHE A 34 -1.015 1.857 19.800 1.00 30.14 H new ATOM 0 HB2 PHE A 34 0.570 3.744 17.984 1.00 43.30 H new ATOM 0 HB3 PHE A 34 1.369 2.799 19.225 1.00 43.30 H new ATOM 0 HD1 PHE A 34 1.372 0.335 19.145 1.00 54.32 H new ATOM 0 HD2 PHE A 34 -0.458 2.613 15.997 1.00 42.03 H new ATOM 0 HE1 PHE A 34 1.333 -1.681 17.709 1.00 62.24 H new ATOM 0 HE2 PHE A 34 -0.499 0.599 14.562 1.00 62.33 H new ATOM 0 HZ PHE A 34 0.406 -1.549 15.412 1.00 33.24 H new ATOM 546 N ASN A 35 -0.767 5.085 20.513 1.00 41.04 N ATOM 547 CA ASN A 35 -0.764 6.096 21.560 1.00 22.12 C ATOM 548 C ASN A 35 -1.909 5.978 22.553 1.00 25.34 C ATOM 549 O ASN A 35 -1.789 6.404 23.696 1.00 53.00 O ATOM 550 CB ASN A 35 -0.770 7.507 20.931 1.00 40.41 C ATOM 551 CG ASN A 35 0.620 7.863 20.402 1.00 14.45 C ATOM 552 OD1 ASN A 35 1.487 8.288 21.168 1.00 31.55 O ATOM 553 ND2 ASN A 35 0.840 7.691 19.079 1.00 31.02 N ATOM 0 H ASN A 35 -0.919 5.495 19.592 1.00 41.04 H new ATOM 0 HA ASN A 35 0.150 5.926 22.130 1.00 22.12 H new ATOM 0 HB2 ASN A 35 -1.496 7.547 20.119 1.00 40.41 H new ATOM 0 HB3 ASN A 35 -1.082 8.241 21.674 1.00 40.41 H new ATOM 0 HD21 ASN A 35 1.751 7.916 18.680 1.00 31.02 H new ATOM 0 HD22 ASN A 35 0.094 7.337 18.480 1.00 31.02 H new ATOM 560 N PHE A 36 -3.038 5.368 22.145 1.00 53.33 N ATOM 561 CA PHE A 36 -4.258 5.157 22.908 1.00 52.13 C ATOM 562 C PHE A 36 -3.994 4.405 24.202 1.00 74.42 C ATOM 563 O PHE A 36 -4.581 4.699 25.240 1.00 11.42 O ATOM 564 CB PHE A 36 -5.254 4.382 22.003 1.00 11.24 C ATOM 565 CG PHE A 36 -6.602 4.145 22.595 1.00 13.31 C ATOM 566 CD1 PHE A 36 -6.852 2.998 23.363 1.00 32.01 C ATOM 567 CD2 PHE A 36 -7.643 5.043 22.340 1.00 45.45 C ATOM 568 CE1 PHE A 36 -8.128 2.757 23.878 1.00 35.24 C ATOM 569 CE2 PHE A 36 -8.912 4.824 22.877 1.00 43.32 C ATOM 570 CZ PHE A 36 -9.150 3.673 23.628 1.00 21.04 C ATOM 0 H PHE A 36 -3.115 4.986 21.202 1.00 53.33 H new ATOM 0 HA PHE A 36 -4.679 6.120 23.198 1.00 52.13 H new ATOM 0 HB2 PHE A 36 -5.377 4.933 21.071 1.00 11.24 H new ATOM 0 HB3 PHE A 36 -4.813 3.418 21.748 1.00 11.24 H new ATOM 0 HD1 PHE A 36 -6.053 2.297 23.557 1.00 32.01 H new ATOM 0 HD2 PHE A 36 -7.464 5.911 21.724 1.00 45.45 H new ATOM 0 HE1 PHE A 36 -8.321 1.870 24.464 1.00 35.24 H new ATOM 0 HE2 PHE A 36 -9.704 5.540 22.712 1.00 43.32 H new ATOM 0 HZ PHE A 36 -10.139 3.488 24.021 1.00 21.04 H new ATOM 580 N TRP A 37 -3.108 3.392 24.149 1.00 2.23 N ATOM 581 CA TRP A 37 -2.820 2.518 25.265 1.00 34.20 C ATOM 582 C TRP A 37 -1.868 3.163 26.264 1.00 4.40 C ATOM 583 O TRP A 37 -1.673 2.642 27.362 1.00 3.35 O ATOM 584 CB TRP A 37 -2.210 1.191 24.756 1.00 44.51 C ATOM 585 CG TRP A 37 -3.102 0.496 23.741 1.00 72.34 C ATOM 586 CD1 TRP A 37 -2.834 0.348 22.409 1.00 4.12 C ATOM 587 CD2 TRP A 37 -4.477 0.103 23.925 1.00 43.04 C ATOM 588 NE1 TRP A 37 -3.935 -0.149 21.750 1.00 41.41 N ATOM 589 CE2 TRP A 37 -4.961 -0.281 22.656 1.00 32.31 C ATOM 590 CE3 TRP A 37 -5.308 0.083 25.047 1.00 41.32 C ATOM 591 CZ2 TRP A 37 -6.281 -0.665 22.486 1.00 32.02 C ATOM 592 CZ3 TRP A 37 -6.650 -0.291 24.865 1.00 55.32 C ATOM 593 CH2 TRP A 37 -7.137 -0.635 23.595 1.00 61.44 C ATOM 0 H TRP A 37 -2.573 3.168 23.310 1.00 2.23 H new ATOM 0 HA TRP A 37 -3.763 2.323 25.776 1.00 34.20 H new ATOM 0 HB2 TRP A 37 -1.238 1.390 24.305 1.00 44.51 H new ATOM 0 HB3 TRP A 37 -2.039 0.525 25.602 1.00 44.51 H new ATOM 0 HD1 TRP A 37 -1.891 0.587 21.940 1.00 4.12 H new ATOM 0 HE1 TRP A 37 -3.982 -0.380 20.758 1.00 41.41 H new ATOM 0 HE3 TRP A 37 -4.931 0.347 26.024 1.00 41.32 H new ATOM 0 HZ2 TRP A 37 -6.643 -0.981 21.519 1.00 32.02 H new ATOM 0 HZ3 TRP A 37 -7.316 -0.314 25.715 1.00 55.32 H new ATOM 0 HH2 TRP A 37 -8.182 -0.879 23.471 1.00 61.44 H new ATOM 604 N LYS A 38 -1.246 4.318 25.911 1.00 62.33 N ATOM 605 CA LYS A 38 -0.374 5.062 26.811 1.00 3.41 C ATOM 606 C LYS A 38 -1.128 5.593 28.031 1.00 55.43 C ATOM 607 O LYS A 38 -2.182 6.221 27.919 1.00 3.01 O ATOM 608 CB LYS A 38 0.290 6.266 26.090 1.00 4.15 C ATOM 609 CG LYS A 38 1.308 7.088 26.910 1.00 61.33 C ATOM 610 CD LYS A 38 2.581 6.329 27.336 1.00 21.24 C ATOM 611 CE LYS A 38 3.482 5.928 26.166 1.00 4.22 C ATOM 612 NZ LYS A 38 4.718 5.303 26.681 1.00 51.23 N ATOM 0 H LYS A 38 -1.346 4.746 24.991 1.00 62.33 H new ATOM 0 HA LYS A 38 0.390 4.357 27.138 1.00 3.41 H new ATOM 0 HB2 LYS A 38 0.793 5.893 25.198 1.00 4.15 H new ATOM 0 HB3 LYS A 38 -0.499 6.939 25.754 1.00 4.15 H new ATOM 0 HG2 LYS A 38 1.603 7.958 26.324 1.00 61.33 H new ATOM 0 HG3 LYS A 38 0.811 7.461 27.806 1.00 61.33 H new ATOM 0 HD2 LYS A 38 3.151 6.953 28.024 1.00 21.24 H new ATOM 0 HD3 LYS A 38 2.292 5.432 27.884 1.00 21.24 H new ATOM 0 HE2 LYS A 38 2.957 5.232 25.512 1.00 4.22 H new ATOM 0 HE3 LYS A 38 3.729 6.805 25.567 1.00 4.22 H new ATOM 0 HZ1 LYS A 38 5.328 5.032 25.884 1.00 51.23 H new ATOM 0 HZ2 LYS A 38 5.222 5.980 27.288 1.00 51.23 H new ATOM 0 HZ3 LYS A 38 4.475 4.457 27.234 1.00 51.23 H new ATOM 626 N GLU A 39 -0.593 5.371 29.255 1.00 61.01 N ATOM 627 CA GLU A 39 -1.224 5.858 30.467 1.00 31.42 C ATOM 628 C GLU A 39 -1.181 7.379 30.548 1.00 25.41 C ATOM 629 O GLU A 39 -0.143 8.006 30.350 1.00 13.22 O ATOM 630 CB GLU A 39 -0.568 5.253 31.736 1.00 72.13 C ATOM 631 CG GLU A 39 -0.773 3.721 31.848 1.00 70.14 C ATOM 632 CD GLU A 39 -0.121 3.136 33.102 1.00 64.42 C ATOM 633 OE1 GLU A 39 0.810 2.305 32.945 1.00 13.24 O ATOM 634 OE2 GLU A 39 -0.560 3.509 34.220 1.00 44.12 O ATOM 0 H GLU A 39 0.274 4.856 29.411 1.00 61.01 H new ATOM 0 HA GLU A 39 -2.265 5.538 30.425 1.00 31.42 H new ATOM 0 HB2 GLU A 39 0.500 5.472 31.727 1.00 72.13 H new ATOM 0 HB3 GLU A 39 -0.985 5.736 32.620 1.00 72.13 H new ATOM 0 HG2 GLU A 39 -1.840 3.500 31.860 1.00 70.14 H new ATOM 0 HG3 GLU A 39 -0.357 3.236 30.965 1.00 70.14 H new ATOM 641 N GLY A 40 -2.346 8.005 30.832 1.00 24.05 N ATOM 642 CA GLY A 40 -2.486 9.454 30.880 1.00 52.03 C ATOM 643 C GLY A 40 -2.927 10.067 29.575 1.00 4.32 C ATOM 644 O GLY A 40 -3.302 11.236 29.546 1.00 23.53 O ATOM 0 H GLY A 40 -3.212 7.505 31.033 1.00 24.05 H new ATOM 0 HA2 GLY A 40 -3.207 9.714 31.655 1.00 52.03 H new ATOM 0 HA3 GLY A 40 -1.532 9.892 31.172 1.00 52.03 H new ATOM 648 N TYR A 41 -2.909 9.312 28.453 1.00 25.31 N ATOM 649 CA TYR A 41 -3.312 9.834 27.160 1.00 11.23 C ATOM 650 C TYR A 41 -4.797 9.717 26.915 1.00 4.10 C ATOM 651 O TYR A 41 -5.428 8.689 27.154 1.00 70.24 O ATOM 652 CB TYR A 41 -2.548 9.178 25.973 1.00 31.44 C ATOM 653 CG TYR A 41 -1.143 9.707 25.757 1.00 21.11 C ATOM 654 CD1 TYR A 41 -0.609 9.549 24.467 1.00 23.30 C ATOM 655 CD2 TYR A 41 -0.356 10.364 26.727 1.00 53.43 C ATOM 656 CE1 TYR A 41 0.654 10.052 24.136 1.00 11.14 C ATOM 657 CE2 TYR A 41 0.918 10.856 26.403 1.00 20.21 C ATOM 658 CZ TYR A 41 1.421 10.706 25.105 1.00 5.05 C ATOM 659 OH TYR A 41 2.694 11.214 24.773 1.00 25.44 O ATOM 0 H TYR A 41 -2.615 8.335 28.434 1.00 25.31 H new ATOM 0 HA TYR A 41 -3.047 10.891 27.202 1.00 11.23 H new ATOM 0 HB2 TYR A 41 -2.495 8.102 26.142 1.00 31.44 H new ATOM 0 HB3 TYR A 41 -3.123 9.329 25.060 1.00 31.44 H new ATOM 0 HD1 TYR A 41 -1.185 9.029 23.716 1.00 23.30 H new ATOM 0 HD2 TYR A 41 -0.738 10.490 27.729 1.00 53.43 H new ATOM 0 HE1 TYR A 41 1.036 9.935 23.133 1.00 11.14 H new ATOM 0 HE2 TYR A 41 1.512 11.352 27.157 1.00 20.21 H new ATOM 0 HH TYR A 41 3.092 11.640 25.561 1.00 25.44 H new ATOM 669 N GLN A 42 -5.389 10.814 26.391 1.00 1.34 N ATOM 670 CA GLN A 42 -6.721 10.803 25.857 1.00 64.12 C ATOM 671 C GLN A 42 -6.653 10.992 24.353 1.00 43.03 C ATOM 672 O GLN A 42 -6.158 11.984 23.822 1.00 23.41 O ATOM 673 CB GLN A 42 -7.661 11.836 26.540 1.00 62.34 C ATOM 674 CG GLN A 42 -7.236 13.320 26.481 1.00 52.31 C ATOM 675 CD GLN A 42 -6.359 13.866 27.623 1.00 42.41 C ATOM 676 OE1 GLN A 42 -6.154 15.081 27.697 1.00 42.35 O ATOM 677 NE2 GLN A 42 -5.834 12.995 28.519 1.00 31.23 N ATOM 0 H GLN A 42 -4.932 11.725 26.338 1.00 1.34 H new ATOM 0 HA GLN A 42 -7.169 9.834 26.076 1.00 64.12 H new ATOM 0 HB2 GLN A 42 -8.648 11.748 26.085 1.00 62.34 H new ATOM 0 HB3 GLN A 42 -7.767 11.556 27.588 1.00 62.34 H new ATOM 0 HG2 GLN A 42 -6.701 13.477 25.544 1.00 52.31 H new ATOM 0 HG3 GLN A 42 -8.141 13.925 26.436 1.00 52.31 H new ATOM 0 HE21 GLN A 42 -6.022 11.996 28.430 1.00 31.23 H new ATOM 0 HE22 GLN A 42 -5.251 13.338 29.282 1.00 31.23 H new ATOM 686 N ILE A 43 -7.160 9.987 23.622 1.00 20.12 N ATOM 687 CA ILE A 43 -7.341 10.021 22.189 1.00 73.12 C ATOM 688 C ILE A 43 -8.805 10.284 21.896 1.00 73.41 C ATOM 689 O ILE A 43 -9.695 9.567 22.347 1.00 44.23 O ATOM 690 CB ILE A 43 -6.909 8.714 21.578 1.00 14.35 C ATOM 691 CG1 ILE A 43 -5.423 8.414 21.877 1.00 43.34 C ATOM 692 CG2 ILE A 43 -7.202 8.649 20.062 1.00 43.02 C ATOM 693 CD1 ILE A 43 -4.398 9.388 21.284 1.00 73.31 C ATOM 0 H ILE A 43 -7.460 9.106 24.040 1.00 20.12 H new ATOM 0 HA ILE A 43 -6.730 10.813 21.756 1.00 73.12 H new ATOM 0 HB ILE A 43 -7.508 7.935 22.049 1.00 14.35 H new ATOM 0 HG12 ILE A 43 -5.289 8.394 22.959 1.00 43.34 H new ATOM 0 HG13 ILE A 43 -5.196 7.413 21.509 1.00 43.34 H new ATOM 0 HG21 ILE A 43 -6.872 7.687 19.669 1.00 43.02 H new ATOM 0 HG22 ILE A 43 -8.273 8.762 19.893 1.00 43.02 H new ATOM 0 HG23 ILE A 43 -6.668 9.452 19.553 1.00 43.02 H new ATOM 0 HD11 ILE A 43 -3.393 9.072 21.563 1.00 73.31 H new ATOM 0 HD12 ILE A 43 -4.488 9.395 20.198 1.00 73.31 H new ATOM 0 HD13 ILE A 43 -4.583 10.391 21.670 1.00 73.31 H new ATOM 705 N THR A 44 -9.072 11.361 21.132 1.00 53.05 N ATOM 706 CA THR A 44 -10.404 11.882 20.859 1.00 25.02 C ATOM 707 C THR A 44 -10.612 12.018 19.365 1.00 71.42 C ATOM 708 O THR A 44 -11.573 12.637 18.916 1.00 43.44 O ATOM 709 CB THR A 44 -10.670 13.221 21.549 1.00 21.44 C ATOM 710 OG1 THR A 44 -9.761 14.242 21.143 1.00 3.32 O ATOM 711 CG2 THR A 44 -10.534 13.047 23.077 1.00 31.02 C ATOM 0 H THR A 44 -8.336 11.902 20.679 1.00 53.05 H new ATOM 0 HA THR A 44 -11.116 11.166 21.269 1.00 25.02 H new ATOM 0 HB THR A 44 -11.677 13.526 21.265 1.00 21.44 H new ATOM 0 HG1 THR A 44 -9.975 15.076 21.611 1.00 3.32 H new ATOM 0 HG21 THR A 44 -10.723 14.001 23.570 1.00 31.02 H new ATOM 0 HG22 THR A 44 -11.257 12.309 23.425 1.00 31.02 H new ATOM 0 HG23 THR A 44 -9.526 12.709 23.316 1.00 31.02 H new ATOM 719 N ASN A 45 -9.692 11.457 18.547 1.00 51.13 N ATOM 720 CA ASN A 45 -9.709 11.565 17.110 1.00 72.23 C ATOM 721 C ASN A 45 -10.584 10.476 16.554 1.00 40.01 C ATOM 722 O ASN A 45 -10.366 9.296 16.808 1.00 33.33 O ATOM 723 CB ASN A 45 -8.282 11.464 16.516 1.00 62.31 C ATOM 724 CG ASN A 45 -8.276 11.784 15.020 1.00 1.53 C ATOM 725 OD1 ASN A 45 -9.124 12.519 14.510 1.00 44.32 O ATOM 726 ND2 ASN A 45 -7.304 11.188 14.291 1.00 41.31 N ATOM 0 H ASN A 45 -8.907 10.908 18.898 1.00 51.13 H new ATOM 0 HA ASN A 45 -10.106 12.542 16.834 1.00 72.23 H new ATOM 0 HB2 ASN A 45 -7.619 12.153 17.040 1.00 62.31 H new ATOM 0 HB3 ASN A 45 -7.890 10.460 16.676 1.00 62.31 H new ATOM 0 HD21 ASN A 45 -7.256 11.341 13.284 1.00 41.31 H new ATOM 0 HD22 ASN A 45 -6.620 10.586 14.749 1.00 41.31 H new ATOM 733 N ARG A 46 -11.558 10.867 15.716 1.00 20.32 N ATOM 734 CA ARG A 46 -12.595 10.033 15.156 1.00 24.54 C ATOM 735 C ARG A 46 -12.051 8.870 14.350 1.00 53.12 C ATOM 736 O ARG A 46 -12.581 7.763 14.393 1.00 23.31 O ATOM 737 CB ARG A 46 -13.506 10.940 14.298 1.00 54.03 C ATOM 738 CG ARG A 46 -12.793 11.600 13.100 1.00 10.12 C ATOM 739 CD ARG A 46 -13.646 12.703 12.473 1.00 42.15 C ATOM 740 NE ARG A 46 -12.893 13.299 11.322 1.00 1.41 N ATOM 741 CZ ARG A 46 -13.391 14.344 10.597 1.00 34.21 C ATOM 742 NH1 ARG A 46 -14.603 14.880 10.914 1.00 72.11 N ATOM 743 NH2 ARG A 46 -12.664 14.843 9.556 1.00 72.13 N ATOM 0 H ARG A 46 -11.633 11.835 15.402 1.00 20.32 H new ATOM 0 HA ARG A 46 -13.160 9.572 15.966 1.00 24.54 H new ATOM 0 HB2 ARG A 46 -14.343 10.349 13.927 1.00 54.03 H new ATOM 0 HB3 ARG A 46 -13.924 11.721 14.933 1.00 54.03 H new ATOM 0 HG2 ARG A 46 -11.841 12.018 13.428 1.00 10.12 H new ATOM 0 HG3 ARG A 46 -12.567 10.843 12.349 1.00 10.12 H new ATOM 0 HD2 ARG A 46 -14.598 12.296 12.131 1.00 42.15 H new ATOM 0 HD3 ARG A 46 -13.874 13.470 13.213 1.00 42.15 H new ATOM 0 HE ARG A 46 -11.982 12.913 11.073 1.00 1.41 H new ATOM 0 HH11 ARG A 46 -15.140 14.501 11.694 1.00 72.11 H new ATOM 0 HH12 ARG A 46 -14.973 15.660 10.371 1.00 72.11 H new ATOM 0 HH21 ARG A 46 -11.758 14.436 9.325 1.00 72.13 H new ATOM 0 HH22 ARG A 46 -13.027 15.623 9.008 1.00 72.13 H new ATOM 757 N GLU A 47 -10.917 9.071 13.648 1.00 73.44 N ATOM 758 CA GLU A 47 -10.202 8.031 12.986 1.00 1.03 C ATOM 759 C GLU A 47 -9.529 7.010 13.821 1.00 52.34 C ATOM 760 O GLU A 47 -9.307 5.914 13.318 1.00 25.23 O ATOM 761 CB GLU A 47 -9.128 8.523 12.056 1.00 11.54 C ATOM 762 CG GLU A 47 -9.601 9.070 10.708 1.00 51.24 C ATOM 763 CD GLU A 47 -10.757 8.399 9.964 1.00 64.33 C ATOM 764 OE1 GLU A 47 -10.530 7.308 9.385 1.00 62.45 O ATOM 765 OE2 GLU A 47 -11.855 9.011 9.929 1.00 11.14 O ATOM 0 H GLU A 47 -10.488 9.990 13.541 1.00 73.44 H new ATOM 0 HA GLU A 47 -11.043 7.568 12.469 1.00 1.03 H new ATOM 0 HB2 GLU A 47 -8.566 9.306 12.565 1.00 11.54 H new ATOM 0 HB3 GLU A 47 -8.435 7.703 11.869 1.00 11.54 H new ATOM 0 HG2 GLU A 47 -9.879 10.113 10.863 1.00 51.24 H new ATOM 0 HG3 GLU A 47 -8.741 9.066 10.038 1.00 51.24 H new ATOM 772 N ALA A 48 -9.180 7.306 15.085 1.00 10.02 N ATOM 773 CA ALA A 48 -8.672 6.272 15.981 1.00 53.41 C ATOM 774 C ALA A 48 -9.669 5.130 16.036 1.00 42.11 C ATOM 775 O ALA A 48 -9.324 3.968 15.899 1.00 33.31 O ATOM 776 CB ALA A 48 -8.439 6.786 17.421 1.00 5.04 C ATOM 0 H ALA A 48 -9.241 8.237 15.497 1.00 10.02 H new ATOM 0 HA ALA A 48 -7.710 5.948 15.583 1.00 53.41 H new ATOM 0 HB1 ALA A 48 -8.061 5.973 18.041 1.00 5.04 H new ATOM 0 HB2 ALA A 48 -7.712 7.598 17.404 1.00 5.04 H new ATOM 0 HB3 ALA A 48 -9.380 7.150 17.834 1.00 5.04 H new ATOM 782 N GLY A 49 -10.963 5.486 16.061 1.00 44.30 N ATOM 783 CA GLY A 49 -12.070 4.578 15.889 1.00 24.12 C ATOM 784 C GLY A 49 -12.121 3.904 14.559 1.00 52.42 C ATOM 785 O GLY A 49 -12.390 2.706 14.507 1.00 2.11 O ATOM 0 H GLY A 49 -11.260 6.451 16.208 1.00 44.30 H new ATOM 0 HA2 GLY A 49 -12.021 3.815 16.666 1.00 24.12 H new ATOM 0 HA3 GLY A 49 -13.000 5.127 16.039 1.00 24.12 H new ATOM 789 N CYS A 50 -11.880 4.634 13.435 1.00 32.12 N ATOM 790 CA CYS A 50 -11.964 4.032 12.124 1.00 65.11 C ATOM 791 C CYS A 50 -10.864 3.019 11.900 1.00 24.22 C ATOM 792 O CYS A 50 -11.097 1.982 11.285 1.00 73.41 O ATOM 793 CB CYS A 50 -11.932 5.095 11.016 1.00 24.30 C ATOM 794 SG CYS A 50 -13.372 6.226 11.025 1.00 21.52 S ATOM 0 H CYS A 50 -11.631 5.623 13.435 1.00 32.12 H new ATOM 0 HA CYS A 50 -12.921 3.511 12.079 1.00 65.11 H new ATOM 0 HB2 CYS A 50 -11.020 5.684 11.118 1.00 24.30 H new ATOM 0 HB3 CYS A 50 -11.882 4.595 10.049 1.00 24.30 H new ATOM 799 N VAL A 51 -9.627 3.274 12.405 1.00 61.21 N ATOM 800 CA VAL A 51 -8.594 2.249 12.356 1.00 54.11 C ATOM 801 C VAL A 51 -8.935 1.057 13.223 1.00 50.02 C ATOM 802 O VAL A 51 -8.809 -0.077 12.784 1.00 51.34 O ATOM 803 CB VAL A 51 -7.179 2.794 12.620 1.00 64.21 C ATOM 804 CG1 VAL A 51 -7.015 3.547 13.951 1.00 1.33 C ATOM 805 CG2 VAL A 51 -6.177 1.628 12.708 1.00 21.42 C ATOM 0 H VAL A 51 -9.344 4.155 12.833 1.00 61.21 H new ATOM 0 HA VAL A 51 -8.573 1.892 11.326 1.00 54.11 H new ATOM 0 HB VAL A 51 -7.000 3.480 11.792 1.00 64.21 H new ATOM 0 HG11 VAL A 51 -5.986 3.893 14.049 1.00 1.33 H new ATOM 0 HG12 VAL A 51 -7.689 4.403 13.970 1.00 1.33 H new ATOM 0 HG13 VAL A 51 -7.253 2.879 14.779 1.00 1.33 H new ATOM 0 HG21 VAL A 51 -5.177 2.021 12.895 1.00 21.42 H new ATOM 0 HG22 VAL A 51 -6.464 0.963 13.522 1.00 21.42 H new ATOM 0 HG23 VAL A 51 -6.180 1.074 11.769 1.00 21.42 H new ATOM 815 N ILE A 52 -9.477 1.261 14.437 1.00 63.35 N ATOM 816 CA ILE A 52 -9.749 0.187 15.391 1.00 23.11 C ATOM 817 C ILE A 52 -10.707 -0.850 14.847 1.00 44.00 C ATOM 818 O ILE A 52 -10.454 -2.052 14.901 1.00 43.22 O ATOM 819 CB ILE A 52 -10.271 0.790 16.699 1.00 3.31 C ATOM 820 CG1 ILE A 52 -9.127 1.474 17.463 1.00 4.44 C ATOM 821 CG2 ILE A 52 -11.012 -0.255 17.564 1.00 62.12 C ATOM 822 CD1 ILE A 52 -9.478 2.558 18.506 1.00 53.01 C ATOM 0 H ILE A 52 -9.738 2.185 14.780 1.00 63.35 H new ATOM 0 HA ILE A 52 -8.813 -0.339 15.579 1.00 23.11 H new ATOM 0 HB ILE A 52 -11.010 1.552 16.451 1.00 3.31 H new ATOM 0 HG12 ILE A 52 -8.558 0.696 17.973 1.00 4.44 H new ATOM 0 HG13 ILE A 52 -8.461 1.926 16.727 1.00 4.44 H new ATOM 0 HG21 ILE A 52 -11.365 0.216 18.481 1.00 62.12 H new ATOM 0 HG22 ILE A 52 -11.863 -0.650 17.008 1.00 62.12 H new ATOM 0 HG23 ILE A 52 -10.332 -1.069 17.813 1.00 62.12 H new ATOM 0 HD11 ILE A 52 -8.562 2.941 18.955 1.00 53.01 H new ATOM 0 HD12 ILE A 52 -10.011 3.374 18.018 1.00 53.01 H new ATOM 0 HD13 ILE A 52 -10.109 2.125 19.282 1.00 53.01 H new ATOM 834 N LEU A 53 -11.817 -0.402 14.245 1.00 64.41 N ATOM 835 CA LEU A 53 -12.810 -1.275 13.674 1.00 63.31 C ATOM 836 C LEU A 53 -12.359 -2.031 12.449 1.00 62.13 C ATOM 837 O LEU A 53 -12.814 -3.139 12.170 1.00 34.43 O ATOM 838 CB LEU A 53 -14.107 -0.467 13.490 1.00 44.21 C ATOM 839 CG LEU A 53 -14.149 0.715 12.504 1.00 5.01 C ATOM 840 CD1 LEU A 53 -13.991 0.327 11.031 1.00 11.43 C ATOM 841 CD2 LEU A 53 -15.496 1.421 12.707 1.00 5.05 C ATOM 0 H LEU A 53 -12.038 0.589 14.148 1.00 64.41 H new ATOM 0 HA LEU A 53 -12.999 -2.093 14.369 1.00 63.31 H new ATOM 0 HB2 LEU A 53 -14.885 -1.168 13.187 1.00 44.21 H new ATOM 0 HB3 LEU A 53 -14.389 -0.081 14.470 1.00 44.21 H new ATOM 0 HG LEU A 53 -13.294 1.356 12.720 1.00 5.01 H new ATOM 0 HD11 LEU A 53 -14.033 1.223 10.412 1.00 11.43 H new ATOM 0 HD12 LEU A 53 -13.031 -0.169 10.886 1.00 11.43 H new ATOM 0 HD13 LEU A 53 -14.796 -0.350 10.745 1.00 11.43 H new ATOM 0 HD21 LEU A 53 -15.569 2.269 12.026 1.00 5.05 H new ATOM 0 HD22 LEU A 53 -16.307 0.722 12.505 1.00 5.05 H new ATOM 0 HD23 LEU A 53 -15.570 1.775 13.735 1.00 5.05 H new ATOM 853 N CYS A 54 -11.398 -1.438 11.723 1.00 52.34 N ATOM 854 CA CYS A 54 -10.716 -2.043 10.601 1.00 75.52 C ATOM 855 C CYS A 54 -9.914 -3.262 11.014 1.00 52.02 C ATOM 856 O CYS A 54 -10.025 -4.291 10.347 1.00 53.21 O ATOM 857 CB CYS A 54 -9.840 -1.007 9.847 1.00 65.13 C ATOM 858 SG CYS A 54 -8.999 -1.650 8.365 1.00 30.03 S ATOM 0 H CYS A 54 -11.074 -0.491 11.920 1.00 52.34 H new ATOM 0 HA CYS A 54 -11.482 -2.391 9.908 1.00 75.52 H new ATOM 0 HB2 CYS A 54 -10.468 -0.166 9.554 1.00 65.13 H new ATOM 0 HB3 CYS A 54 -9.088 -0.619 10.534 1.00 65.13 H new ATOM 863 N LEU A 55 -9.128 -3.255 12.136 1.00 43.15 N ATOM 864 CA LEU A 55 -8.451 -4.448 12.554 1.00 63.22 C ATOM 865 C LEU A 55 -9.382 -5.558 12.919 1.00 45.23 C ATOM 866 O LEU A 55 -9.129 -6.706 12.599 1.00 61.25 O ATOM 867 CB LEU A 55 -7.588 -4.088 13.733 1.00 3.24 C ATOM 868 CG LEU A 55 -6.358 -3.257 13.336 1.00 10.34 C ATOM 869 CD1 LEU A 55 -5.332 -4.069 12.531 1.00 21.15 C ATOM 870 CD2 LEU A 55 -6.515 -1.851 12.766 1.00 3.02 C ATOM 0 H LEU A 55 -8.973 -2.440 12.730 1.00 43.15 H new ATOM 0 HA LEU A 55 -7.859 -4.821 11.718 1.00 63.22 H new ATOM 0 HB2 LEU A 55 -8.182 -3.528 14.455 1.00 3.24 H new ATOM 0 HB3 LEU A 55 -7.260 -5.001 14.230 1.00 3.24 H new ATOM 0 HG LEU A 55 -5.990 -3.026 14.336 1.00 10.34 H new ATOM 0 HD11 LEU A 55 -4.484 -3.433 12.277 1.00 21.15 H new ATOM 0 HD12 LEU A 55 -4.987 -4.913 13.128 1.00 21.15 H new ATOM 0 HD13 LEU A 55 -5.796 -4.437 11.616 1.00 21.15 H new ATOM 0 HD21 LEU A 55 -5.531 -1.434 12.550 1.00 3.02 H new ATOM 0 HD22 LEU A 55 -7.100 -1.894 11.848 1.00 3.02 H new ATOM 0 HD23 LEU A 55 -7.026 -1.219 13.492 1.00 3.02 H new ATOM 882 N ALA A 56 -10.503 -5.227 13.565 1.00 60.04 N ATOM 883 CA ALA A 56 -11.463 -6.156 14.105 1.00 1.02 C ATOM 884 C ALA A 56 -12.067 -7.119 13.105 1.00 65.24 C ATOM 885 O ALA A 56 -12.305 -8.299 13.381 1.00 63.23 O ATOM 886 CB ALA A 56 -12.537 -5.316 14.809 1.00 60.34 C ATOM 0 H ALA A 56 -10.766 -4.255 13.726 1.00 60.04 H new ATOM 0 HA ALA A 56 -10.945 -6.822 14.795 1.00 1.02 H new ATOM 0 HB1 ALA A 56 -13.292 -5.975 15.237 1.00 60.34 H new ATOM 0 HB2 ALA A 56 -12.076 -4.728 15.603 1.00 60.34 H new ATOM 0 HB3 ALA A 56 -13.007 -4.647 14.088 1.00 60.34 H new ATOM 892 N LYS A 57 -12.299 -6.621 11.883 1.00 11.10 N ATOM 893 CA LYS A 57 -12.616 -7.474 10.752 1.00 21.23 C ATOM 894 C LYS A 57 -11.399 -8.246 10.244 1.00 31.10 C ATOM 895 O LYS A 57 -11.470 -9.433 9.924 1.00 51.21 O ATOM 896 CB LYS A 57 -13.207 -6.641 9.588 1.00 64.14 C ATOM 897 CG LYS A 57 -14.578 -6.022 9.911 1.00 71.33 C ATOM 898 CD LYS A 57 -15.149 -5.215 8.733 1.00 54.32 C ATOM 899 CE LYS A 57 -16.542 -4.653 9.014 1.00 51.32 C ATOM 900 NZ LYS A 57 -17.046 -3.954 7.815 1.00 11.01 N ATOM 0 H LYS A 57 -12.271 -5.626 11.662 1.00 11.10 H new ATOM 0 HA LYS A 57 -13.352 -8.195 11.107 1.00 21.23 H new ATOM 0 HB2 LYS A 57 -12.509 -5.844 9.331 1.00 64.14 H new ATOM 0 HB3 LYS A 57 -13.303 -7.277 8.708 1.00 64.14 H new ATOM 0 HG2 LYS A 57 -15.277 -6.814 10.178 1.00 71.33 H new ATOM 0 HG3 LYS A 57 -14.484 -5.373 10.781 1.00 71.33 H new ATOM 0 HD2 LYS A 57 -14.472 -4.393 8.501 1.00 54.32 H new ATOM 0 HD3 LYS A 57 -15.192 -5.852 7.850 1.00 54.32 H new ATOM 0 HE2 LYS A 57 -17.222 -5.459 9.290 1.00 51.32 H new ATOM 0 HE3 LYS A 57 -16.504 -3.965 9.859 1.00 51.32 H new ATOM 0 HZ1 LYS A 57 -17.994 -3.572 8.008 1.00 11.01 H new ATOM 0 HZ2 LYS A 57 -16.402 -3.175 7.571 1.00 11.01 H new ATOM 0 HZ3 LYS A 57 -17.097 -4.622 7.020 1.00 11.01 H new ATOM 914 N LYS A 58 -10.227 -7.583 10.168 1.00 70.00 N ATOM 915 CA LYS A 58 -9.037 -8.083 9.512 1.00 53.43 C ATOM 916 C LYS A 58 -8.109 -8.859 10.444 1.00 14.52 C ATOM 917 O LYS A 58 -6.893 -8.693 10.444 1.00 34.20 O ATOM 918 CB LYS A 58 -8.290 -6.913 8.829 1.00 4.35 C ATOM 919 CG LYS A 58 -9.058 -6.295 7.648 1.00 14.53 C ATOM 920 CD LYS A 58 -8.214 -5.249 6.900 1.00 41.40 C ATOM 921 CE LYS A 58 -8.909 -4.598 5.701 1.00 1.24 C ATOM 922 NZ LYS A 58 -9.127 -5.585 4.624 1.00 51.11 N ATOM 0 H LYS A 58 -10.095 -6.659 10.579 1.00 70.00 H new ATOM 0 HA LYS A 58 -9.362 -8.801 8.759 1.00 53.43 H new ATOM 0 HB2 LYS A 58 -8.094 -6.137 9.569 1.00 4.35 H new ATOM 0 HB3 LYS A 58 -7.322 -7.268 8.476 1.00 4.35 H new ATOM 0 HG2 LYS A 58 -9.356 -7.083 6.956 1.00 14.53 H new ATOM 0 HG3 LYS A 58 -9.973 -5.829 8.014 1.00 14.53 H new ATOM 0 HD2 LYS A 58 -7.925 -4.467 7.602 1.00 41.40 H new ATOM 0 HD3 LYS A 58 -7.295 -5.724 6.555 1.00 41.40 H new ATOM 0 HE2 LYS A 58 -9.864 -4.176 6.013 1.00 1.24 H new ATOM 0 HE3 LYS A 58 -8.303 -3.773 5.327 1.00 1.24 H new ATOM 0 HZ1 LYS A 58 -9.553 -5.113 3.801 1.00 51.11 H new ATOM 0 HZ2 LYS A 58 -8.216 -6.005 4.349 1.00 51.11 H new ATOM 0 HZ3 LYS A 58 -9.765 -6.333 4.963 1.00 51.11 H new ATOM 936 N LEU A 59 -8.677 -9.808 11.220 1.00 15.44 N ATOM 937 CA LEU A 59 -7.937 -10.696 12.120 1.00 54.21 C ATOM 938 C LEU A 59 -7.637 -11.981 11.401 1.00 71.11 C ATOM 939 O LEU A 59 -6.852 -12.821 11.813 1.00 1.44 O ATOM 940 CB LEU A 59 -8.706 -11.116 13.385 1.00 64.45 C ATOM 941 CG LEU A 59 -9.150 -9.936 14.253 1.00 64.00 C ATOM 942 CD1 LEU A 59 -9.912 -10.419 15.491 1.00 13.35 C ATOM 943 CD2 LEU A 59 -8.158 -8.807 14.510 1.00 14.31 C ATOM 0 H LEU A 59 -9.683 -9.975 11.233 1.00 15.44 H new ATOM 0 HA LEU A 59 -7.057 -10.125 12.416 1.00 54.21 H new ATOM 0 HB2 LEU A 59 -9.584 -11.691 13.092 1.00 64.45 H new ATOM 0 HB3 LEU A 59 -8.076 -11.777 13.980 1.00 64.45 H new ATOM 0 HG LEU A 59 -9.845 -9.394 13.611 1.00 64.00 H new ATOM 0 HD11 LEU A 59 -10.215 -9.560 16.090 1.00 13.35 H new ATOM 0 HD12 LEU A 59 -10.796 -10.975 15.180 1.00 13.35 H new ATOM 0 HD13 LEU A 59 -9.267 -11.066 16.086 1.00 13.35 H new ATOM 0 HD21 LEU A 59 -8.624 -8.050 15.140 1.00 14.31 H new ATOM 0 HD22 LEU A 59 -7.276 -9.205 15.012 1.00 14.31 H new ATOM 0 HD23 LEU A 59 -7.864 -8.358 13.561 1.00 14.31 H new ATOM 955 N GLU A 60 -8.283 -12.107 10.244 1.00 43.14 N ATOM 956 CA GLU A 60 -8.178 -13.182 9.269 1.00 41.22 C ATOM 957 C GLU A 60 -6.774 -13.227 8.709 1.00 13.43 C ATOM 958 O GLU A 60 -6.234 -14.261 8.331 1.00 44.15 O ATOM 959 CB GLU A 60 -9.171 -12.969 8.101 1.00 61.33 C ATOM 960 CG GLU A 60 -10.630 -12.977 8.598 1.00 2.55 C ATOM 961 CD GLU A 60 -11.650 -13.006 7.460 1.00 0.14 C ATOM 962 OE1 GLU A 60 -11.651 -12.050 6.643 1.00 3.21 O ATOM 963 OE2 GLU A 60 -12.438 -13.986 7.410 1.00 60.10 O ATOM 0 H GLU A 60 -8.950 -11.397 9.942 1.00 43.14 H new ATOM 0 HA GLU A 60 -8.416 -14.119 9.772 1.00 41.22 H new ATOM 0 HB2 GLU A 60 -8.958 -12.021 7.608 1.00 61.33 H new ATOM 0 HB3 GLU A 60 -9.034 -13.753 7.357 1.00 61.33 H new ATOM 0 HG2 GLU A 60 -10.785 -13.845 9.239 1.00 2.55 H new ATOM 0 HG3 GLU A 60 -10.804 -12.093 9.211 1.00 2.55 H new ATOM 970 N LEU A 61 -6.209 -12.013 8.641 1.00 14.43 N ATOM 971 CA LEU A 61 -4.905 -11.638 8.141 1.00 44.53 C ATOM 972 C LEU A 61 -3.790 -12.147 9.049 1.00 14.52 C ATOM 973 O LEU A 61 -2.655 -12.354 8.622 1.00 33.33 O ATOM 974 CB LEU A 61 -4.748 -10.110 8.005 1.00 62.44 C ATOM 975 CG LEU A 61 -5.747 -9.350 7.102 1.00 2.20 C ATOM 976 CD1 LEU A 61 -5.049 -8.262 6.281 1.00 73.35 C ATOM 977 CD2 LEU A 61 -6.895 -10.087 6.385 1.00 51.55 C ATOM 0 H LEU A 61 -6.718 -11.194 8.973 1.00 14.43 H new ATOM 0 HA LEU A 61 -4.825 -12.098 7.156 1.00 44.53 H new ATOM 0 HB2 LEU A 61 -4.808 -9.679 9.004 1.00 62.44 H new ATOM 0 HB3 LEU A 61 -3.744 -9.910 7.632 1.00 62.44 H new ATOM 0 HG LEU A 61 -6.388 -8.885 7.851 1.00 2.20 H new ATOM 0 HD11 LEU A 61 -5.782 -7.749 5.659 1.00 73.35 H new ATOM 0 HD12 LEU A 61 -4.578 -7.545 6.953 1.00 73.35 H new ATOM 0 HD13 LEU A 61 -4.289 -8.717 5.646 1.00 73.35 H new ATOM 0 HD21 LEU A 61 -7.479 -9.373 5.804 1.00 51.55 H new ATOM 0 HD22 LEU A 61 -6.481 -10.845 5.720 1.00 51.55 H new ATOM 0 HD23 LEU A 61 -7.538 -10.565 7.124 1.00 51.55 H new ATOM 989 N LEU A 62 -4.111 -12.299 10.351 1.00 45.11 N ATOM 990 CA LEU A 62 -3.227 -12.668 11.438 1.00 53.43 C ATOM 991 C LEU A 62 -2.820 -14.124 11.357 1.00 64.10 C ATOM 992 O LEU A 62 -3.441 -14.957 10.702 1.00 11.53 O ATOM 993 CB LEU A 62 -3.885 -12.419 12.823 1.00 73.32 C ATOM 994 CG LEU A 62 -4.284 -10.945 13.033 1.00 11.50 C ATOM 995 CD1 LEU A 62 -5.113 -10.702 14.305 1.00 4.53 C ATOM 996 CD2 LEU A 62 -3.080 -9.989 13.018 1.00 2.24 C ATOM 0 H LEU A 62 -5.067 -12.153 10.676 1.00 45.11 H new ATOM 0 HA LEU A 62 -2.344 -12.037 11.337 1.00 53.43 H new ATOM 0 HB2 LEU A 62 -4.770 -13.048 12.919 1.00 73.32 H new ATOM 0 HB3 LEU A 62 -3.193 -12.720 13.609 1.00 73.32 H new ATOM 0 HG LEU A 62 -4.918 -10.723 12.174 1.00 11.50 H new ATOM 0 HD11 LEU A 62 -5.356 -9.642 14.384 1.00 4.53 H new ATOM 0 HD12 LEU A 62 -6.034 -11.282 14.255 1.00 4.53 H new ATOM 0 HD13 LEU A 62 -4.538 -11.009 15.178 1.00 4.53 H new ATOM 0 HD21 LEU A 62 -3.425 -8.967 13.171 1.00 2.24 H new ATOM 0 HD22 LEU A 62 -2.389 -10.262 13.816 1.00 2.24 H new ATOM 0 HD23 LEU A 62 -2.571 -10.060 12.057 1.00 2.24 H new ATOM 1008 N ASP A 63 -1.697 -14.463 12.017 1.00 51.12 N ATOM 1009 CA ASP A 63 -1.139 -15.794 11.930 1.00 44.50 C ATOM 1010 C ASP A 63 -1.862 -16.736 12.886 1.00 5.34 C ATOM 1011 O ASP A 63 -2.276 -16.358 13.979 1.00 53.33 O ATOM 1012 CB ASP A 63 0.383 -15.792 12.248 1.00 3.24 C ATOM 1013 CG ASP A 63 1.031 -17.126 11.885 1.00 13.32 C ATOM 1014 OD1 ASP A 63 1.028 -17.476 10.679 1.00 31.22 O ATOM 1015 OD2 ASP A 63 1.448 -17.842 12.833 1.00 33.44 O ATOM 0 H ASP A 63 -1.170 -13.823 12.612 1.00 51.12 H new ATOM 0 HA ASP A 63 -1.275 -16.143 10.906 1.00 44.50 H new ATOM 0 HB2 ASP A 63 0.870 -14.988 11.697 1.00 3.24 H new ATOM 0 HB3 ASP A 63 0.534 -15.589 13.308 1.00 3.24 H new ATOM 1020 N GLN A 64 -1.954 -18.027 12.510 1.00 71.02 N ATOM 1021 CA GLN A 64 -2.556 -19.061 13.320 1.00 52.40 C ATOM 1022 C GLN A 64 -1.867 -19.288 14.666 1.00 71.14 C ATOM 1023 O GLN A 64 -2.526 -19.615 15.651 1.00 14.13 O ATOM 1024 CB GLN A 64 -2.660 -20.374 12.502 1.00 35.02 C ATOM 1025 CG GLN A 64 -3.366 -21.535 13.238 1.00 72.13 C ATOM 1026 CD GLN A 64 -4.794 -21.155 13.652 1.00 60.44 C ATOM 1027 OE1 GLN A 64 -5.674 -20.878 12.832 1.00 51.54 O ATOM 1028 NE2 GLN A 64 -5.030 -21.100 14.988 1.00 14.31 N ATOM 0 H GLN A 64 -1.601 -18.368 11.616 1.00 71.02 H new ATOM 0 HA GLN A 64 -3.555 -18.712 13.580 1.00 52.40 H new ATOM 0 HB2 GLN A 64 -3.197 -20.168 11.576 1.00 35.02 H new ATOM 0 HB3 GLN A 64 -1.656 -20.694 12.224 1.00 35.02 H new ATOM 0 HG2 GLN A 64 -3.395 -22.412 12.592 1.00 72.13 H new ATOM 0 HG3 GLN A 64 -2.791 -21.809 14.122 1.00 72.13 H new ATOM 0 HE21 GLN A 64 -4.287 -21.333 15.647 1.00 14.31 H new ATOM 0 HE22 GLN A 64 -5.950 -20.825 15.333 1.00 14.31 H new ATOM 1037 N ASP A 65 -0.531 -19.087 14.765 1.00 72.35 N ATOM 1038 CA ASP A 65 0.235 -19.289 15.990 1.00 31.35 C ATOM 1039 C ASP A 65 -0.209 -18.414 17.162 1.00 62.11 C ATOM 1040 O ASP A 65 -0.058 -18.822 18.308 1.00 71.41 O ATOM 1041 CB ASP A 65 1.757 -19.037 15.782 1.00 5.21 C ATOM 1042 CG ASP A 65 2.443 -20.127 14.961 1.00 61.34 C ATOM 1043 OD1 ASP A 65 3.639 -19.916 14.629 1.00 3.11 O ATOM 1044 OD2 ASP A 65 1.801 -21.167 14.663 1.00 11.12 O ATOM 0 H ASP A 65 0.040 -18.776 13.979 1.00 72.35 H new ATOM 0 HA ASP A 65 0.041 -20.333 16.237 1.00 31.35 H new ATOM 0 HB2 ASP A 65 1.895 -18.077 15.285 1.00 5.21 H new ATOM 0 HB3 ASP A 65 2.243 -18.965 16.755 1.00 5.21 H new ATOM 1049 N MET A 66 -0.757 -17.196 16.922 1.00 22.35 N ATOM 1050 CA MET A 66 -1.268 -16.369 18.009 1.00 72.42 C ATOM 1051 C MET A 66 -2.696 -16.730 18.388 1.00 62.12 C ATOM 1052 O MET A 66 -3.219 -16.224 19.379 1.00 3.12 O ATOM 1053 CB MET A 66 -1.179 -14.847 17.703 1.00 55.45 C ATOM 1054 CG MET A 66 -2.111 -14.279 16.614 1.00 65.22 C ATOM 1055 SD MET A 66 -2.004 -12.474 16.391 1.00 41.21 S ATOM 1056 CE MET A 66 -0.357 -12.396 15.629 1.00 74.23 C ATOM 0 H MET A 66 -0.849 -16.782 15.994 1.00 22.35 H new ATOM 0 HA MET A 66 -0.618 -16.582 18.857 1.00 72.42 H new ATOM 0 HB2 MET A 66 -1.377 -14.307 18.629 1.00 55.45 H new ATOM 0 HB3 MET A 66 -0.152 -14.622 17.416 1.00 55.45 H new ATOM 0 HG2 MET A 66 -1.878 -14.764 15.666 1.00 65.22 H new ATOM 0 HG3 MET A 66 -3.140 -14.541 16.862 1.00 65.22 H new ATOM 0 HE1 MET A 66 -0.199 -11.404 15.206 1.00 74.23 H new ATOM 0 HE2 MET A 66 0.403 -12.594 16.385 1.00 74.23 H new ATOM 0 HE3 MET A 66 -0.286 -13.143 14.839 1.00 74.23 H new ATOM 1066 N ASN A 67 -3.332 -17.632 17.600 1.00 21.45 N ATOM 1067 CA ASN A 67 -4.671 -18.179 17.740 1.00 13.14 C ATOM 1068 C ASN A 67 -5.820 -17.192 17.573 1.00 52.10 C ATOM 1069 O ASN A 67 -6.946 -17.509 17.954 1.00 43.34 O ATOM 1070 CB ASN A 67 -4.846 -18.918 19.108 1.00 41.42 C ATOM 1071 CG ASN A 67 -3.862 -20.079 19.273 1.00 32.03 C ATOM 1072 OD1 ASN A 67 -3.036 -20.084 20.187 1.00 32.52 O ATOM 1073 ND2 ASN A 67 -3.972 -21.108 18.395 1.00 74.10 N ATOM 0 H ASN A 67 -2.863 -18.019 16.781 1.00 21.45 H new ATOM 0 HA ASN A 67 -4.741 -18.872 16.901 1.00 13.14 H new ATOM 0 HB2 ASN A 67 -4.705 -18.207 19.923 1.00 41.42 H new ATOM 0 HB3 ASN A 67 -5.866 -19.295 19.186 1.00 41.42 H new ATOM 0 HD21 ASN A 67 -3.359 -21.919 18.480 1.00 74.10 H new ATOM 0 HD22 ASN A 67 -4.668 -21.070 17.650 1.00 74.10 H new ATOM 1080 N LEU A 68 -5.618 -15.984 16.984 1.00 31.53 N ATOM 1081 CA LEU A 68 -6.701 -15.017 16.903 1.00 43.43 C ATOM 1082 C LEU A 68 -7.563 -15.271 15.689 1.00 14.23 C ATOM 1083 O LEU A 68 -7.093 -15.240 14.554 1.00 44.25 O ATOM 1084 CB LEU A 68 -6.203 -13.549 16.831 1.00 70.30 C ATOM 1085 CG LEU A 68 -7.160 -12.475 17.421 1.00 31.22 C ATOM 1086 CD1 LEU A 68 -6.834 -11.038 17.026 1.00 72.51 C ATOM 1087 CD2 LEU A 68 -8.638 -12.822 17.670 1.00 44.32 C ATOM 0 H LEU A 68 -4.735 -15.679 16.574 1.00 31.53 H new ATOM 0 HA LEU A 68 -7.273 -15.147 17.821 1.00 43.43 H new ATOM 0 HB2 LEU A 68 -5.249 -13.484 17.354 1.00 70.30 H new ATOM 0 HB3 LEU A 68 -6.011 -13.302 15.787 1.00 70.30 H new ATOM 0 HG LEU A 68 -6.870 -12.531 18.470 1.00 31.22 H new ATOM 0 HD11 LEU A 68 -7.555 -10.362 17.485 1.00 72.51 H new ATOM 0 HD12 LEU A 68 -5.831 -10.785 17.369 1.00 72.51 H new ATOM 0 HD13 LEU A 68 -6.883 -10.939 15.942 1.00 72.51 H new ATOM 0 HD21 LEU A 68 -9.151 -11.953 18.083 1.00 44.32 H new ATOM 0 HD22 LEU A 68 -9.108 -13.108 16.729 1.00 44.32 H new ATOM 0 HD23 LEU A 68 -8.703 -13.651 18.375 1.00 44.32 H new ATOM 1099 N HIS A 69 -8.873 -15.481 15.911 1.00 30.13 N ATOM 1100 CA HIS A 69 -9.843 -15.433 14.852 1.00 21.41 C ATOM 1101 C HIS A 69 -11.057 -14.751 15.414 1.00 31.33 C ATOM 1102 O HIS A 69 -11.308 -14.774 16.620 1.00 72.52 O ATOM 1103 CB HIS A 69 -10.220 -16.837 14.309 1.00 74.33 C ATOM 1104 CG HIS A 69 -9.098 -17.573 13.616 1.00 54.52 C ATOM 1105 ND1 HIS A 69 -8.853 -17.410 12.280 1.00 15.20 N ATOM 1106 CD2 HIS A 69 -8.215 -18.498 14.064 1.00 21.41 C ATOM 1107 CE1 HIS A 69 -7.878 -18.225 11.922 1.00 24.42 C ATOM 1108 NE2 HIS A 69 -7.478 -18.902 12.981 1.00 5.22 N ATOM 0 H HIS A 69 -9.266 -15.686 16.830 1.00 30.13 H new ATOM 0 HA HIS A 69 -9.423 -14.893 14.003 1.00 21.41 H new ATOM 0 HB2 HIS A 69 -10.578 -17.447 15.138 1.00 74.33 H new ATOM 0 HB3 HIS A 69 -11.050 -16.730 13.611 1.00 74.33 H new ATOM 0 HD2 HIS A 69 -8.112 -18.850 15.080 1.00 21.41 H new ATOM 0 HE1 HIS A 69 -7.474 -18.322 10.925 1.00 24.42 H new ATOM 0 HE2 HIS A 69 -6.743 -19.609 12.992 1.00 5.22 H new ATOM 1117 N HIS A 70 -11.821 -14.073 14.538 1.00 52.01 N ATOM 1118 CA HIS A 70 -12.979 -13.289 14.907 1.00 51.04 C ATOM 1119 C HIS A 70 -14.086 -14.177 15.464 1.00 11.23 C ATOM 1120 O HIS A 70 -14.394 -15.238 14.925 1.00 32.31 O ATOM 1121 CB HIS A 70 -13.462 -12.503 13.672 1.00 73.50 C ATOM 1122 CG HIS A 70 -14.566 -11.505 13.868 1.00 5.20 C ATOM 1123 ND1 HIS A 70 -14.371 -10.151 13.791 1.00 60.01 N ATOM 1124 CD2 HIS A 70 -15.894 -11.705 14.031 1.00 72.04 C ATOM 1125 CE1 HIS A 70 -15.546 -9.557 13.887 1.00 41.45 C ATOM 1126 NE2 HIS A 70 -16.482 -10.471 14.045 1.00 24.22 N ATOM 0 H HIS A 70 -11.633 -14.065 13.535 1.00 52.01 H new ATOM 0 HA HIS A 70 -12.706 -12.588 15.696 1.00 51.04 H new ATOM 0 HB2 HIS A 70 -12.604 -11.976 13.253 1.00 73.50 H new ATOM 0 HB3 HIS A 70 -13.790 -13.224 12.923 1.00 73.50 H new ATOM 0 HD1 HIS A 70 -13.472 -9.682 13.679 1.00 60.01 H new ATOM 0 HD2 HIS A 70 -16.394 -12.657 14.131 1.00 72.04 H new ATOM 0 HE1 HIS A 70 -15.714 -8.491 13.843 1.00 41.45 H new ATOM 1135 N GLY A 71 -14.672 -13.770 16.607 1.00 32.04 N ATOM 1136 CA GLY A 71 -15.712 -14.517 17.307 1.00 24.03 C ATOM 1137 C GLY A 71 -15.201 -15.524 18.312 1.00 20.51 C ATOM 1138 O GLY A 71 -15.955 -15.999 19.155 1.00 63.21 O ATOM 0 H GLY A 71 -14.425 -12.896 17.070 1.00 32.04 H new ATOM 0 HA2 GLY A 71 -16.364 -13.811 17.821 1.00 24.03 H new ATOM 0 HA3 GLY A 71 -16.324 -15.038 16.571 1.00 24.03 H new ATOM 1142 N LYS A 72 -13.897 -15.870 18.271 1.00 20.13 N ATOM 1143 CA LYS A 72 -13.306 -16.985 18.981 1.00 61.11 C ATOM 1144 C LYS A 72 -12.589 -16.525 20.233 1.00 52.32 C ATOM 1145 O LYS A 72 -11.701 -17.204 20.753 1.00 72.43 O ATOM 1146 CB LYS A 72 -12.312 -17.744 18.067 1.00 33.14 C ATOM 1147 CG LYS A 72 -12.952 -18.297 16.778 1.00 31.11 C ATOM 1148 CD LYS A 72 -14.131 -19.261 17.006 1.00 70.20 C ATOM 1149 CE LYS A 72 -13.772 -20.468 17.872 1.00 21.31 C ATOM 1150 NZ LYS A 72 -14.881 -21.441 17.881 1.00 44.04 N ATOM 0 H LYS A 72 -13.216 -15.351 17.717 1.00 20.13 H new ATOM 0 HA LYS A 72 -14.116 -17.654 19.272 1.00 61.11 H new ATOM 0 HB2 LYS A 72 -11.496 -17.074 17.798 1.00 33.14 H new ATOM 0 HB3 LYS A 72 -11.875 -18.570 18.628 1.00 33.14 H new ATOM 0 HG2 LYS A 72 -13.298 -17.459 16.172 1.00 31.11 H new ATOM 0 HG3 LYS A 72 -12.185 -18.813 16.201 1.00 31.11 H new ATOM 0 HD2 LYS A 72 -14.950 -18.717 17.477 1.00 70.20 H new ATOM 0 HD3 LYS A 72 -14.495 -19.612 16.040 1.00 70.20 H new ATOM 0 HE2 LYS A 72 -12.867 -20.941 17.491 1.00 21.31 H new ATOM 0 HE3 LYS A 72 -13.557 -20.143 18.890 1.00 21.31 H new ATOM 0 HZ1 LYS A 72 -14.623 -22.256 18.473 1.00 44.04 H new ATOM 0 HZ2 LYS A 72 -15.735 -20.990 18.266 1.00 44.04 H new ATOM 0 HZ3 LYS A 72 -15.067 -21.764 16.910 1.00 44.04 H new ATOM 1164 N ALA A 73 -12.986 -15.348 20.770 1.00 71.51 N ATOM 1165 CA ALA A 73 -12.336 -14.657 21.862 1.00 44.42 C ATOM 1166 C ALA A 73 -12.208 -15.470 23.110 1.00 13.20 C ATOM 1167 O ALA A 73 -11.150 -15.456 23.721 1.00 55.44 O ATOM 1168 CB ALA A 73 -13.097 -13.394 22.255 1.00 61.22 C ATOM 0 H ALA A 73 -13.806 -14.848 20.425 1.00 71.51 H new ATOM 0 HA ALA A 73 -11.342 -14.434 21.473 1.00 44.42 H new ATOM 0 HB1 ALA A 73 -12.581 -12.900 23.078 1.00 61.22 H new ATOM 0 HB2 ALA A 73 -13.147 -12.719 21.401 1.00 61.22 H new ATOM 0 HB3 ALA A 73 -14.107 -13.660 22.567 1.00 61.22 H new ATOM 1174 N MET A 74 -13.248 -16.227 23.501 1.00 71.14 N ATOM 1175 CA MET A 74 -13.201 -17.006 24.729 1.00 31.10 C ATOM 1176 C MET A 74 -12.082 -18.048 24.716 1.00 53.04 C ATOM 1177 O MET A 74 -11.400 -18.256 25.717 1.00 52.50 O ATOM 1178 CB MET A 74 -14.545 -17.723 25.011 1.00 64.30 C ATOM 1179 CG MET A 74 -15.698 -16.759 25.349 1.00 33.55 C ATOM 1180 SD MET A 74 -17.258 -17.614 25.724 1.00 31.31 S ATOM 1181 CE MET A 74 -18.185 -16.104 26.121 1.00 61.03 C ATOM 0 H MET A 74 -14.122 -16.309 22.981 1.00 71.14 H new ATOM 0 HA MET A 74 -13.002 -16.285 25.522 1.00 31.10 H new ATOM 0 HB2 MET A 74 -14.821 -18.315 24.139 1.00 64.30 H new ATOM 0 HB3 MET A 74 -14.409 -18.419 25.839 1.00 64.30 H new ATOM 0 HG2 MET A 74 -15.412 -16.146 26.204 1.00 33.55 H new ATOM 0 HG3 MET A 74 -15.855 -16.082 24.510 1.00 33.55 H new ATOM 0 HE1 MET A 74 -19.208 -16.366 26.393 1.00 61.03 H new ATOM 0 HE2 MET A 74 -17.707 -15.593 26.957 1.00 61.03 H new ATOM 0 HE3 MET A 74 -18.197 -15.446 25.252 1.00 61.03 H new ATOM 1191 N GLU A 75 -11.859 -18.709 23.557 1.00 33.41 N ATOM 1192 CA GLU A 75 -10.783 -19.674 23.375 1.00 32.42 C ATOM 1193 C GLU A 75 -9.416 -19.017 23.229 1.00 43.50 C ATOM 1194 O GLU A 75 -8.440 -19.428 23.854 1.00 31.00 O ATOM 1195 CB GLU A 75 -11.041 -20.557 22.126 1.00 3.10 C ATOM 1196 CG GLU A 75 -12.276 -21.484 22.270 1.00 24.21 C ATOM 1197 CD GLU A 75 -12.529 -22.360 21.039 1.00 74.32 C ATOM 1198 OE1 GLU A 75 -11.593 -22.539 20.219 1.00 33.34 O ATOM 1199 OE2 GLU A 75 -13.677 -22.865 20.921 1.00 54.55 O ATOM 0 H GLU A 75 -12.432 -18.577 22.724 1.00 33.41 H new ATOM 0 HA GLU A 75 -10.774 -20.284 24.278 1.00 32.42 H new ATOM 0 HB2 GLU A 75 -11.179 -19.913 21.257 1.00 3.10 H new ATOM 0 HB3 GLU A 75 -10.159 -21.167 21.933 1.00 3.10 H new ATOM 0 HG2 GLU A 75 -12.139 -22.125 23.141 1.00 24.21 H new ATOM 0 HG3 GLU A 75 -13.159 -20.873 22.459 1.00 24.21 H new ATOM 1206 N PHE A 76 -9.346 -17.941 22.417 1.00 14.14 N ATOM 1207 CA PHE A 76 -8.184 -17.104 22.170 1.00 20.04 C ATOM 1208 C PHE A 76 -7.649 -16.441 23.422 1.00 64.15 C ATOM 1209 O PHE A 76 -6.455 -16.489 23.703 1.00 13.34 O ATOM 1210 CB PHE A 76 -8.574 -16.049 21.088 1.00 43.23 C ATOM 1211 CG PHE A 76 -7.577 -14.932 20.923 1.00 52.13 C ATOM 1212 CD1 PHE A 76 -6.322 -15.110 20.328 1.00 11.04 C ATOM 1213 CD2 PHE A 76 -7.887 -13.685 21.487 1.00 24.34 C ATOM 1214 CE1 PHE A 76 -5.418 -14.043 20.245 1.00 43.34 C ATOM 1215 CE2 PHE A 76 -6.946 -12.656 21.497 1.00 24.42 C ATOM 1216 CZ PHE A 76 -5.720 -12.821 20.849 1.00 32.12 C ATOM 0 H PHE A 76 -10.160 -17.625 21.889 1.00 14.14 H new ATOM 0 HA PHE A 76 -7.369 -17.734 21.815 1.00 20.04 H new ATOM 0 HB2 PHE A 76 -8.696 -16.556 20.131 1.00 43.23 H new ATOM 0 HB3 PHE A 76 -9.542 -15.621 21.347 1.00 43.23 H new ATOM 0 HD1 PHE A 76 -6.049 -16.076 19.930 1.00 11.04 H new ATOM 0 HD2 PHE A 76 -8.864 -13.521 21.917 1.00 24.34 H new ATOM 0 HE1 PHE A 76 -4.486 -14.166 19.713 1.00 43.34 H new ATOM 0 HE2 PHE A 76 -7.166 -11.730 22.007 1.00 24.42 H new ATOM 0 HZ PHE A 76 -5.010 -12.008 20.815 1.00 32.12 H new ATOM 1226 N ALA A 77 -8.528 -15.827 24.230 1.00 31.22 N ATOM 1227 CA ALA A 77 -8.156 -15.108 25.418 1.00 62.42 C ATOM 1228 C ALA A 77 -7.462 -15.983 26.448 1.00 65.25 C ATOM 1229 O ALA A 77 -6.459 -15.588 27.043 1.00 1.34 O ATOM 1230 CB ALA A 77 -9.432 -14.495 25.983 1.00 2.22 C ATOM 0 H ALA A 77 -9.533 -15.828 24.056 1.00 31.22 H new ATOM 0 HA ALA A 77 -7.427 -14.339 25.164 1.00 62.42 H new ATOM 0 HB1 ALA A 77 -9.197 -13.937 26.890 1.00 2.22 H new ATOM 0 HB2 ALA A 77 -9.870 -13.822 25.246 1.00 2.22 H new ATOM 0 HB3 ALA A 77 -10.143 -15.287 26.218 1.00 2.22 H new ATOM 1236 N MET A 78 -7.967 -17.225 26.633 1.00 12.24 N ATOM 1237 CA MET A 78 -7.371 -18.227 27.496 1.00 41.25 C ATOM 1238 C MET A 78 -5.988 -18.674 27.046 1.00 43.45 C ATOM 1239 O MET A 78 -5.100 -18.873 27.875 1.00 63.15 O ATOM 1240 CB MET A 78 -8.328 -19.429 27.686 1.00 12.44 C ATOM 1241 CG MET A 78 -9.567 -19.044 28.529 1.00 72.01 C ATOM 1242 SD MET A 78 -10.766 -20.389 28.787 1.00 71.44 S ATOM 1243 CE MET A 78 -9.740 -21.402 29.892 1.00 42.41 C ATOM 0 H MET A 78 -8.817 -17.548 26.170 1.00 12.24 H new ATOM 0 HA MET A 78 -7.220 -17.749 28.464 1.00 41.25 H new ATOM 0 HB2 MET A 78 -8.650 -19.796 26.711 1.00 12.44 H new ATOM 0 HB3 MET A 78 -7.795 -20.245 28.173 1.00 12.44 H new ATOM 0 HG2 MET A 78 -9.230 -18.686 29.502 1.00 72.01 H new ATOM 0 HG3 MET A 78 -10.076 -18.212 28.042 1.00 72.01 H new ATOM 0 HE1 MET A 78 -10.364 -22.145 30.389 1.00 42.41 H new ATOM 0 HE2 MET A 78 -8.968 -21.907 29.311 1.00 42.41 H new ATOM 0 HE3 MET A 78 -9.271 -20.763 30.640 1.00 42.41 H new ATOM 1253 N LYS A 79 -5.735 -18.780 25.717 1.00 42.10 N ATOM 1254 CA LYS A 79 -4.405 -19.050 25.171 1.00 32.14 C ATOM 1255 C LYS A 79 -3.392 -17.955 25.520 1.00 73.23 C ATOM 1256 O LYS A 79 -2.197 -18.213 25.649 1.00 42.44 O ATOM 1257 CB LYS A 79 -4.445 -19.206 23.626 1.00 61.23 C ATOM 1258 CG LYS A 79 -5.185 -20.462 23.126 1.00 41.22 C ATOM 1259 CD LYS A 79 -4.415 -21.772 23.371 1.00 44.13 C ATOM 1260 CE LYS A 79 -5.084 -23.013 22.771 1.00 15.33 C ATOM 1261 NZ LYS A 79 -6.341 -23.313 23.484 1.00 33.11 N ATOM 0 H LYS A 79 -6.457 -18.679 25.003 1.00 42.10 H new ATOM 0 HA LYS A 79 -4.085 -19.985 25.631 1.00 32.14 H new ATOM 0 HB2 LYS A 79 -4.922 -18.325 23.197 1.00 61.23 H new ATOM 0 HB3 LYS A 79 -3.422 -19.229 23.250 1.00 61.23 H new ATOM 0 HG2 LYS A 79 -6.154 -20.523 23.621 1.00 41.22 H new ATOM 0 HG3 LYS A 79 -5.378 -20.358 22.058 1.00 41.22 H new ATOM 0 HD2 LYS A 79 -3.413 -21.675 22.954 1.00 44.13 H new ATOM 0 HD3 LYS A 79 -4.300 -21.918 24.445 1.00 44.13 H new ATOM 0 HE2 LYS A 79 -5.288 -22.849 21.713 1.00 15.33 H new ATOM 0 HE3 LYS A 79 -4.409 -23.866 22.836 1.00 15.33 H new ATOM 0 HZ1 LYS A 79 -6.784 -24.157 23.067 1.00 33.11 H new ATOM 0 HZ2 LYS A 79 -6.137 -23.490 24.488 1.00 33.11 H new ATOM 0 HZ3 LYS A 79 -6.989 -22.504 23.400 1.00 33.11 H new ATOM 1275 N HIS A 80 -3.868 -16.705 25.710 1.00 4.44 N ATOM 1276 CA HIS A 80 -3.077 -15.542 26.066 1.00 42.41 C ATOM 1277 C HIS A 80 -3.015 -15.247 27.549 1.00 54.34 C ATOM 1278 O HIS A 80 -2.549 -14.185 27.957 1.00 12.42 O ATOM 1279 CB HIS A 80 -3.578 -14.316 25.285 1.00 21.32 C ATOM 1280 CG HIS A 80 -3.169 -14.430 23.841 1.00 20.03 C ATOM 1281 ND1 HIS A 80 -1.886 -14.153 23.453 1.00 32.00 N ATOM 1282 CD2 HIS A 80 -3.773 -15.026 22.790 1.00 13.35 C ATOM 1283 CE1 HIS A 80 -1.717 -14.563 22.209 1.00 74.44 C ATOM 1284 NE2 HIS A 80 -2.844 -15.102 21.787 1.00 31.14 N ATOM 0 H HIS A 80 -4.859 -16.486 25.611 1.00 4.44 H new ATOM 0 HA HIS A 80 -2.050 -15.778 25.786 1.00 42.41 H new ATOM 0 HB2 HIS A 80 -4.663 -14.244 25.361 1.00 21.32 H new ATOM 0 HB3 HIS A 80 -3.167 -13.404 25.718 1.00 21.32 H new ATOM 0 HD2 HIS A 80 -4.794 -15.376 22.749 1.00 13.35 H new ATOM 0 HE1 HIS A 80 -0.808 -14.472 21.633 1.00 74.44 H new ATOM 0 HE2 HIS A 80 -2.998 -15.509 20.865 1.00 31.14 H new ATOM 1293 N GLY A 81 -3.431 -16.201 28.410 1.00 41.00 N ATOM 1294 CA GLY A 81 -3.166 -16.114 29.838 1.00 50.41 C ATOM 1295 C GLY A 81 -4.275 -15.503 30.635 1.00 74.25 C ATOM 1296 O GLY A 81 -4.170 -15.393 31.854 1.00 32.13 O ATOM 0 H GLY A 81 -3.949 -17.033 28.129 1.00 41.00 H new ATOM 0 HA2 GLY A 81 -2.969 -17.115 30.220 1.00 50.41 H new ATOM 0 HA3 GLY A 81 -2.259 -15.529 29.992 1.00 50.41 H new ATOM 1300 N ALA A 82 -5.398 -15.124 29.990 1.00 53.02 N ATOM 1301 CA ALA A 82 -6.628 -14.870 30.723 1.00 60.11 C ATOM 1302 C ALA A 82 -7.181 -16.162 31.332 1.00 14.25 C ATOM 1303 O ALA A 82 -7.148 -17.224 30.717 1.00 14.44 O ATOM 1304 CB ALA A 82 -7.704 -14.251 29.806 1.00 3.04 C ATOM 0 H ALA A 82 -5.466 -14.992 28.981 1.00 53.02 H new ATOM 0 HA ALA A 82 -6.386 -14.167 31.521 1.00 60.11 H new ATOM 0 HB1 ALA A 82 -8.613 -14.072 30.381 1.00 3.04 H new ATOM 0 HB2 ALA A 82 -7.338 -13.307 29.402 1.00 3.04 H new ATOM 0 HB3 ALA A 82 -7.922 -14.936 28.987 1.00 3.04 H new ATOM 1310 N ASP A 83 -7.728 -16.119 32.570 1.00 24.32 N ATOM 1311 CA ASP A 83 -8.454 -17.261 33.099 1.00 43.30 C ATOM 1312 C ASP A 83 -9.878 -17.214 32.565 1.00 21.13 C ATOM 1313 O ASP A 83 -10.286 -16.241 31.935 1.00 53.34 O ATOM 1314 CB ASP A 83 -8.455 -17.313 34.646 1.00 71.52 C ATOM 1315 CG ASP A 83 -7.032 -17.463 35.173 1.00 34.32 C ATOM 1316 OD1 ASP A 83 -6.573 -16.535 35.887 1.00 53.43 O ATOM 1317 OD2 ASP A 83 -6.416 -18.523 34.894 1.00 73.03 O ATOM 0 H ASP A 83 -7.674 -15.317 33.197 1.00 24.32 H new ATOM 0 HA ASP A 83 -7.948 -18.168 32.770 1.00 43.30 H new ATOM 0 HB2 ASP A 83 -8.904 -16.404 35.047 1.00 71.52 H new ATOM 0 HB3 ASP A 83 -9.066 -18.148 34.988 1.00 71.52 H new ATOM 1322 N GLU A 84 -10.688 -18.273 32.788 1.00 24.01 N ATOM 1323 CA GLU A 84 -12.004 -18.392 32.170 1.00 42.34 C ATOM 1324 C GLU A 84 -12.974 -17.315 32.631 1.00 24.43 C ATOM 1325 O GLU A 84 -13.812 -16.835 31.871 1.00 45.12 O ATOM 1326 CB GLU A 84 -12.607 -19.811 32.380 1.00 21.42 C ATOM 1327 CG GLU A 84 -12.915 -20.204 33.845 1.00 5.13 C ATOM 1328 CD GLU A 84 -13.446 -21.636 33.963 1.00 53.51 C ATOM 1329 OE1 GLU A 84 -14.608 -21.795 34.417 1.00 44.32 O ATOM 1330 OE2 GLU A 84 -12.680 -22.572 33.616 1.00 50.50 O ATOM 0 H GLU A 84 -10.441 -19.054 33.396 1.00 24.01 H new ATOM 0 HA GLU A 84 -11.851 -18.240 31.101 1.00 42.34 H new ATOM 0 HB2 GLU A 84 -13.529 -19.882 31.804 1.00 21.42 H new ATOM 0 HB3 GLU A 84 -11.915 -20.544 31.965 1.00 21.42 H new ATOM 0 HG2 GLU A 84 -12.010 -20.104 34.444 1.00 5.13 H new ATOM 0 HG3 GLU A 84 -13.648 -19.512 34.258 1.00 5.13 H new ATOM 1337 N ALA A 85 -12.824 -16.886 33.902 1.00 2.12 N ATOM 1338 CA ALA A 85 -13.550 -15.799 34.518 1.00 72.42 C ATOM 1339 C ALA A 85 -13.184 -14.448 33.918 1.00 0.03 C ATOM 1340 O ALA A 85 -14.036 -13.636 33.569 1.00 21.01 O ATOM 1341 CB ALA A 85 -13.261 -15.820 36.030 1.00 54.34 C ATOM 0 H ALA A 85 -12.158 -17.320 34.541 1.00 2.12 H new ATOM 0 HA ALA A 85 -14.615 -15.938 34.333 1.00 72.42 H new ATOM 0 HB1 ALA A 85 -13.800 -15.006 36.515 1.00 54.34 H new ATOM 0 HB2 ALA A 85 -13.587 -16.772 36.450 1.00 54.34 H new ATOM 0 HB3 ALA A 85 -12.191 -15.697 36.198 1.00 54.34 H new ATOM 1347 N MET A 86 -11.870 -14.202 33.743 1.00 3.32 N ATOM 1348 CA MET A 86 -11.293 -13.037 33.122 1.00 64.13 C ATOM 1349 C MET A 86 -11.644 -12.902 31.655 1.00 42.25 C ATOM 1350 O MET A 86 -11.912 -11.809 31.161 1.00 44.22 O ATOM 1351 CB MET A 86 -9.766 -13.066 33.244 1.00 43.34 C ATOM 1352 CG MET A 86 -9.192 -12.853 34.661 1.00 43.35 C ATOM 1353 SD MET A 86 -9.619 -14.009 35.996 1.00 41.42 S ATOM 1354 CE MET A 86 -8.641 -13.120 37.241 1.00 32.34 C ATOM 0 H MET A 86 -11.158 -14.862 34.057 1.00 3.32 H new ATOM 0 HA MET A 86 -11.715 -12.183 33.652 1.00 64.13 H new ATOM 0 HB2 MET A 86 -9.411 -14.027 32.871 1.00 43.34 H new ATOM 0 HB3 MET A 86 -9.355 -12.298 32.589 1.00 43.34 H new ATOM 0 HG2 MET A 86 -8.106 -12.846 34.573 1.00 43.35 H new ATOM 0 HG3 MET A 86 -9.492 -11.857 34.986 1.00 43.35 H new ATOM 0 HE1 MET A 86 -8.723 -13.630 38.201 1.00 32.34 H new ATOM 0 HE2 MET A 86 -7.596 -13.094 36.932 1.00 32.34 H new ATOM 0 HE3 MET A 86 -9.016 -12.101 37.338 1.00 32.34 H new ATOM 1364 N ALA A 87 -11.633 -14.031 30.921 1.00 73.44 N ATOM 1365 CA ALA A 87 -11.982 -14.083 29.517 1.00 13.23 C ATOM 1366 C ALA A 87 -13.411 -13.626 29.245 1.00 74.51 C ATOM 1367 O ALA A 87 -13.671 -12.776 28.396 1.00 23.03 O ATOM 1368 CB ALA A 87 -11.794 -15.526 29.002 1.00 63.13 C ATOM 0 H ALA A 87 -11.375 -14.939 31.307 1.00 73.44 H new ATOM 0 HA ALA A 87 -11.322 -13.394 28.991 1.00 13.23 H new ATOM 0 HB1 ALA A 87 -12.055 -15.572 27.945 1.00 63.13 H new ATOM 0 HB2 ALA A 87 -10.754 -15.826 29.132 1.00 63.13 H new ATOM 0 HB3 ALA A 87 -12.440 -16.200 29.565 1.00 63.13 H new ATOM 1374 N LYS A 88 -14.384 -14.128 30.034 1.00 43.24 N ATOM 1375 CA LYS A 88 -15.766 -13.702 29.935 1.00 51.32 C ATOM 1376 C LYS A 88 -15.972 -12.311 30.496 1.00 61.35 C ATOM 1377 O LYS A 88 -16.834 -11.574 30.031 1.00 22.32 O ATOM 1378 CB LYS A 88 -16.760 -14.730 30.553 1.00 4.13 C ATOM 1379 CG LYS A 88 -16.688 -15.019 32.067 1.00 42.22 C ATOM 1380 CD LYS A 88 -17.453 -14.060 33.007 1.00 74.20 C ATOM 1381 CE LYS A 88 -18.937 -13.898 32.680 1.00 41.34 C ATOM 1382 NZ LYS A 88 -19.612 -13.154 33.762 1.00 43.05 N ATOM 0 H LYS A 88 -14.219 -14.836 30.749 1.00 43.24 H new ATOM 0 HA LYS A 88 -15.994 -13.657 28.870 1.00 51.32 H new ATOM 0 HB2 LYS A 88 -17.770 -14.386 30.331 1.00 4.13 H new ATOM 0 HB3 LYS A 88 -16.623 -15.676 30.030 1.00 4.13 H new ATOM 0 HG2 LYS A 88 -17.063 -16.028 32.236 1.00 42.22 H new ATOM 0 HG3 LYS A 88 -15.639 -15.015 32.362 1.00 42.22 H new ATOM 0 HD2 LYS A 88 -17.357 -14.423 34.030 1.00 74.20 H new ATOM 0 HD3 LYS A 88 -16.977 -13.080 32.970 1.00 74.20 H new ATOM 0 HE2 LYS A 88 -19.054 -13.368 31.735 1.00 41.34 H new ATOM 0 HE3 LYS A 88 -19.400 -14.877 32.556 1.00 41.34 H new ATOM 0 HZ1 LYS A 88 -20.621 -13.047 33.533 1.00 43.05 H new ATOM 0 HZ2 LYS A 88 -19.513 -13.676 34.656 1.00 43.05 H new ATOM 0 HZ3 LYS A 88 -19.178 -12.214 33.860 1.00 43.05 H new ATOM 1396 N GLN A 89 -15.133 -11.881 31.465 1.00 55.30 N ATOM 1397 CA GLN A 89 -15.085 -10.523 31.957 1.00 23.44 C ATOM 1398 C GLN A 89 -14.734 -9.473 30.931 1.00 74.41 C ATOM 1399 O GLN A 89 -15.406 -8.448 30.899 1.00 30.31 O ATOM 1400 CB GLN A 89 -14.148 -10.386 33.180 1.00 35.01 C ATOM 1401 CG GLN A 89 -13.999 -8.943 33.700 1.00 43.23 C ATOM 1402 CD GLN A 89 -13.445 -8.868 35.121 1.00 34.42 C ATOM 1403 OE1 GLN A 89 -14.083 -8.341 36.034 1.00 61.12 O ATOM 1404 NE2 GLN A 89 -12.216 -9.403 35.319 1.00 75.22 N ATOM 0 H GLN A 89 -14.463 -12.498 31.925 1.00 55.30 H new ATOM 0 HA GLN A 89 -16.116 -10.324 32.251 1.00 23.44 H new ATOM 0 HB2 GLN A 89 -14.527 -11.014 33.986 1.00 35.01 H new ATOM 0 HB3 GLN A 89 -13.163 -10.768 32.914 1.00 35.01 H new ATOM 0 HG2 GLN A 89 -13.341 -8.389 33.031 1.00 43.23 H new ATOM 0 HG3 GLN A 89 -14.971 -8.451 33.670 1.00 43.23 H new ATOM 0 HE21 GLN A 89 -11.715 -9.832 34.541 1.00 75.22 H new ATOM 0 HE22 GLN A 89 -11.792 -9.377 36.246 1.00 75.22 H new ATOM 1413 N LEU A 90 -13.742 -9.660 30.026 1.00 34.54 N ATOM 1414 CA LEU A 90 -13.470 -8.686 29.006 1.00 14.44 C ATOM 1415 C LEU A 90 -14.645 -8.512 28.048 1.00 21.02 C ATOM 1416 O LEU A 90 -15.033 -7.400 27.690 1.00 61.11 O ATOM 1417 CB LEU A 90 -12.189 -9.094 28.256 1.00 52.20 C ATOM 1418 CG LEU A 90 -10.838 -9.042 29.020 1.00 21.30 C ATOM 1419 CD1 LEU A 90 -9.669 -9.423 28.084 1.00 74.42 C ATOM 1420 CD2 LEU A 90 -10.521 -7.711 29.726 1.00 31.15 C ATOM 0 H LEU A 90 -13.135 -10.479 30.003 1.00 34.54 H new ATOM 0 HA LEU A 90 -13.321 -7.716 29.480 1.00 14.44 H new ATOM 0 HB2 LEU A 90 -12.327 -10.113 27.894 1.00 52.20 H new ATOM 0 HB3 LEU A 90 -12.099 -8.453 27.379 1.00 52.20 H new ATOM 0 HG LEU A 90 -10.954 -9.773 29.820 1.00 21.30 H new ATOM 0 HD11 LEU A 90 -8.731 -9.381 28.638 1.00 74.42 H new ATOM 0 HD12 LEU A 90 -9.821 -10.433 27.705 1.00 74.42 H new ATOM 0 HD13 LEU A 90 -9.629 -8.724 27.249 1.00 74.42 H new ATOM 0 HD21 LEU A 90 -9.556 -7.786 30.227 1.00 31.15 H new ATOM 0 HD22 LEU A 90 -10.486 -6.908 28.990 1.00 31.15 H new ATOM 0 HD23 LEU A 90 -11.296 -7.496 30.462 1.00 31.15 H new ATOM 1432 N LEU A 91 -15.292 -9.627 27.666 1.00 42.52 N ATOM 1433 CA LEU A 91 -16.520 -9.611 26.895 1.00 34.50 C ATOM 1434 C LEU A 91 -17.679 -8.960 27.670 1.00 24.23 C ATOM 1435 O LEU A 91 -18.451 -8.179 27.116 1.00 71.22 O ATOM 1436 CB LEU A 91 -16.826 -11.064 26.452 1.00 24.43 C ATOM 1437 CG LEU A 91 -15.810 -11.609 25.414 1.00 71.25 C ATOM 1438 CD1 LEU A 91 -15.647 -13.128 25.504 1.00 44.01 C ATOM 1439 CD2 LEU A 91 -16.229 -11.253 23.987 1.00 61.51 C ATOM 0 H LEU A 91 -14.964 -10.566 27.892 1.00 42.52 H new ATOM 0 HA LEU A 91 -16.397 -8.989 26.008 1.00 34.50 H new ATOM 0 HB2 LEU A 91 -16.825 -11.713 27.328 1.00 24.43 H new ATOM 0 HB3 LEU A 91 -17.829 -11.105 26.026 1.00 24.43 H new ATOM 0 HG LEU A 91 -14.857 -11.136 25.652 1.00 71.25 H new ATOM 0 HD11 LEU A 91 -14.926 -13.461 24.758 1.00 44.01 H new ATOM 0 HD12 LEU A 91 -15.291 -13.397 26.498 1.00 44.01 H new ATOM 0 HD13 LEU A 91 -16.608 -13.609 25.320 1.00 44.01 H new ATOM 0 HD21 LEU A 91 -15.497 -11.649 23.283 1.00 61.51 H new ATOM 0 HD22 LEU A 91 -17.206 -11.687 23.776 1.00 61.51 H new ATOM 0 HD23 LEU A 91 -16.283 -10.169 23.883 1.00 61.51 H new ATOM 1451 N ASP A 92 -17.806 -9.232 28.993 1.00 13.11 N ATOM 1452 CA ASP A 92 -18.786 -8.629 29.880 1.00 40.23 C ATOM 1453 C ASP A 92 -18.599 -7.124 30.077 1.00 52.34 C ATOM 1454 O ASP A 92 -19.562 -6.367 30.107 1.00 33.33 O ATOM 1455 CB ASP A 92 -18.805 -9.374 31.230 1.00 21.11 C ATOM 1456 CG ASP A 92 -19.903 -8.946 32.204 1.00 65.15 C ATOM 1457 OD1 ASP A 92 -21.106 -9.035 31.838 1.00 70.31 O ATOM 1458 OD2 ASP A 92 -19.540 -8.547 33.341 1.00 63.05 O ATOM 0 H ASP A 92 -17.201 -9.901 29.470 1.00 13.11 H new ATOM 0 HA ASP A 92 -19.756 -8.735 29.393 1.00 40.23 H new ATOM 0 HB2 ASP A 92 -18.913 -10.441 31.035 1.00 21.11 H new ATOM 0 HB3 ASP A 92 -17.839 -9.235 31.715 1.00 21.11 H new ATOM 1463 N ILE A 93 -17.344 -6.645 30.206 1.00 53.13 N ATOM 1464 CA ILE A 93 -17.025 -5.220 30.284 1.00 23.52 C ATOM 1465 C ILE A 93 -17.499 -4.507 29.049 1.00 44.25 C ATOM 1466 O ILE A 93 -18.100 -3.440 29.157 1.00 30.05 O ATOM 1467 CB ILE A 93 -15.528 -4.909 30.381 1.00 70.54 C ATOM 1468 CG1 ILE A 93 -14.910 -5.332 31.729 1.00 1.42 C ATOM 1469 CG2 ILE A 93 -15.221 -3.410 30.136 1.00 42.53 C ATOM 1470 CD1 ILE A 93 -13.369 -5.344 31.750 1.00 61.02 C ATOM 0 H ILE A 93 -16.523 -7.248 30.259 1.00 53.13 H new ATOM 0 HA ILE A 93 -17.523 -4.887 31.195 1.00 23.52 H new ATOM 0 HB ILE A 93 -15.070 -5.503 29.590 1.00 70.54 H new ATOM 0 HG12 ILE A 93 -15.266 -4.655 32.506 1.00 1.42 H new ATOM 0 HG13 ILE A 93 -15.272 -6.328 31.984 1.00 1.42 H new ATOM 0 HG21 ILE A 93 -14.147 -3.241 30.216 1.00 42.53 H new ATOM 0 HG22 ILE A 93 -15.560 -3.127 29.139 1.00 42.53 H new ATOM 0 HG23 ILE A 93 -15.740 -2.806 30.881 1.00 42.53 H new ATOM 0 HD11 ILE A 93 -13.021 -5.653 32.736 1.00 61.02 H new ATOM 0 HD12 ILE A 93 -13.000 -6.043 30.999 1.00 61.02 H new ATOM 0 HD13 ILE A 93 -12.994 -4.344 31.530 1.00 61.02 H new ATOM 1482 N LYS A 94 -17.246 -5.056 27.829 1.00 31.23 N ATOM 1483 CA LYS A 94 -17.537 -4.275 26.644 1.00 53.30 C ATOM 1484 C LYS A 94 -19.013 -4.082 26.539 1.00 12.15 C ATOM 1485 O LYS A 94 -19.482 -2.978 26.344 1.00 25.21 O ATOM 1486 CB LYS A 94 -17.095 -4.860 25.279 1.00 63.33 C ATOM 1487 CG LYS A 94 -17.917 -5.956 24.577 1.00 60.24 C ATOM 1488 CD LYS A 94 -17.409 -6.302 23.167 1.00 32.52 C ATOM 1489 CE LYS A 94 -17.898 -5.284 22.136 1.00 31.25 C ATOM 1490 NZ LYS A 94 -17.248 -5.493 20.831 1.00 4.42 N ATOM 0 H LYS A 94 -16.862 -5.987 27.666 1.00 31.23 H new ATOM 0 HA LYS A 94 -16.956 -3.366 26.798 1.00 53.30 H new ATOM 0 HB2 LYS A 94 -17.020 -4.024 24.584 1.00 63.33 H new ATOM 0 HB3 LYS A 94 -16.088 -5.254 25.413 1.00 63.33 H new ATOM 0 HG2 LYS A 94 -17.903 -6.857 25.190 1.00 60.24 H new ATOM 0 HG3 LYS A 94 -18.956 -5.632 24.510 1.00 60.24 H new ATOM 0 HD2 LYS A 94 -16.319 -6.328 23.167 1.00 32.52 H new ATOM 0 HD3 LYS A 94 -17.752 -7.298 22.889 1.00 32.52 H new ATOM 0 HE2 LYS A 94 -18.979 -5.367 22.024 1.00 31.25 H new ATOM 0 HE3 LYS A 94 -17.690 -4.275 22.491 1.00 31.25 H new ATOM 0 HZ1 LYS A 94 -17.521 -4.728 20.181 1.00 4.42 H new ATOM 0 HZ2 LYS A 94 -16.215 -5.491 20.953 1.00 4.42 H new ATOM 0 HZ3 LYS A 94 -17.548 -6.407 20.436 1.00 4.42 H new ATOM 1504 N HIS A 95 -19.792 -5.159 26.764 1.00 51.25 N ATOM 1505 CA HIS A 95 -21.234 -5.158 26.520 1.00 31.43 C ATOM 1506 C HIS A 95 -21.876 -4.175 27.467 1.00 63.15 C ATOM 1507 O HIS A 95 -22.833 -3.471 27.149 1.00 62.45 O ATOM 1508 CB HIS A 95 -21.954 -6.518 26.715 1.00 12.20 C ATOM 1509 CG HIS A 95 -22.529 -6.873 28.042 1.00 34.23 C ATOM 1510 ND1 HIS A 95 -23.785 -6.615 28.517 1.00 42.42 N ATOM 1511 CD2 HIS A 95 -21.871 -7.508 28.998 1.00 31.31 C ATOM 1512 CE1 HIS A 95 -23.874 -7.107 29.743 1.00 31.15 C ATOM 1513 NE2 HIS A 95 -22.714 -7.659 30.056 1.00 71.15 N ATOM 0 H HIS A 95 -19.434 -6.046 27.118 1.00 51.25 H new ATOM 0 HA HIS A 95 -21.344 -4.900 25.467 1.00 31.43 H new ATOM 0 HB2 HIS A 95 -22.765 -6.563 25.988 1.00 12.20 H new ATOM 0 HB3 HIS A 95 -21.244 -7.301 26.449 1.00 12.20 H new ATOM 0 HD2 HIS A 95 -20.847 -7.847 28.948 1.00 31.31 H new ATOM 0 HE1 HIS A 95 -24.746 -7.065 30.379 1.00 31.15 H new ATOM 0 HE2 HIS A 95 -22.489 -8.119 30.938 1.00 71.15 H new ATOM 1522 N SER A 96 -21.271 -4.121 28.673 1.00 42.34 N ATOM 1523 CA SER A 96 -21.637 -3.220 29.751 1.00 4.01 C ATOM 1524 C SER A 96 -21.373 -1.776 29.403 1.00 30.13 C ATOM 1525 O SER A 96 -22.132 -0.865 29.716 1.00 1.54 O ATOM 1526 CB SER A 96 -20.882 -3.592 31.048 1.00 31.14 C ATOM 1527 OG SER A 96 -21.333 -2.862 32.189 1.00 14.34 O ATOM 0 H SER A 96 -20.490 -4.730 28.916 1.00 42.34 H new ATOM 0 HA SER A 96 -22.710 -3.332 29.908 1.00 4.01 H new ATOM 0 HB2 SER A 96 -21.001 -4.659 31.237 1.00 31.14 H new ATOM 0 HB3 SER A 96 -19.817 -3.410 30.906 1.00 31.14 H new ATOM 0 HG SER A 96 -20.822 -3.140 32.978 1.00 14.34 H new ATOM 1533 N CYS A 97 -20.244 -1.537 28.731 1.00 4.23 N ATOM 1534 CA CYS A 97 -19.923 -0.280 28.120 1.00 4.12 C ATOM 1535 C CYS A 97 -20.772 0.058 26.910 1.00 73.03 C ATOM 1536 O CYS A 97 -21.122 1.220 26.724 1.00 12.14 O ATOM 1537 CB CYS A 97 -18.428 -0.199 27.810 1.00 43.12 C ATOM 1538 SG CYS A 97 -17.412 0.156 29.266 1.00 72.42 S ATOM 0 H CYS A 97 -19.519 -2.243 28.603 1.00 4.23 H new ATOM 0 HA CYS A 97 -20.171 0.487 28.854 1.00 4.12 H new ATOM 0 HB2 CYS A 97 -18.104 -1.142 27.371 1.00 43.12 H new ATOM 0 HB3 CYS A 97 -18.261 0.575 27.061 1.00 43.12 H new ATOM 1543 N GLU A 98 -21.152 -0.926 26.053 1.00 11.20 N ATOM 1544 CA GLU A 98 -21.825 -0.675 24.777 1.00 21.13 C ATOM 1545 C GLU A 98 -23.149 0.036 24.961 1.00 22.25 C ATOM 1546 O GLU A 98 -23.592 0.805 24.115 1.00 34.31 O ATOM 1547 CB GLU A 98 -22.155 -1.960 23.968 1.00 33.15 C ATOM 1548 CG GLU A 98 -20.922 -2.753 23.490 1.00 13.34 C ATOM 1549 CD GLU A 98 -21.319 -3.877 22.534 1.00 4.44 C ATOM 1550 OE1 GLU A 98 -21.051 -3.729 21.313 1.00 51.33 O ATOM 1551 OE2 GLU A 98 -21.896 -4.885 23.018 1.00 12.12 O ATOM 0 H GLU A 98 -20.994 -1.916 26.241 1.00 11.20 H new ATOM 0 HA GLU A 98 -21.103 -0.066 24.233 1.00 21.13 H new ATOM 0 HB2 GLU A 98 -22.774 -2.612 24.584 1.00 33.15 H new ATOM 0 HB3 GLU A 98 -22.752 -1.683 23.099 1.00 33.15 H new ATOM 0 HG2 GLU A 98 -20.225 -2.079 22.992 1.00 13.34 H new ATOM 0 HG3 GLU A 98 -20.401 -3.172 24.351 1.00 13.34 H new ATOM 1558 N LYS A 99 -23.814 -0.259 26.087 1.00 20.53 N ATOM 1559 CA LYS A 99 -25.124 0.248 26.423 1.00 33.11 C ATOM 1560 C LYS A 99 -25.050 1.635 27.041 1.00 42.11 C ATOM 1561 O LYS A 99 -26.046 2.356 27.047 1.00 4.24 O ATOM 1562 CB LYS A 99 -25.845 -0.767 27.352 1.00 1.40 C ATOM 1563 CG LYS A 99 -25.242 -0.875 28.762 1.00 24.12 C ATOM 1564 CD LYS A 99 -25.500 -2.204 29.500 1.00 64.13 C ATOM 1565 CE LYS A 99 -26.963 -2.630 29.643 1.00 54.12 C ATOM 1566 NZ LYS A 99 -27.697 -1.667 30.487 1.00 11.44 N ATOM 0 H LYS A 99 -23.431 -0.877 26.802 1.00 20.53 H new ATOM 0 HA LYS A 99 -25.707 0.357 25.508 1.00 33.11 H new ATOM 0 HB2 LYS A 99 -26.893 -0.481 27.439 1.00 1.40 H new ATOM 0 HB3 LYS A 99 -25.821 -1.751 26.883 1.00 1.40 H new ATOM 0 HG2 LYS A 99 -24.165 -0.724 28.689 1.00 24.12 H new ATOM 0 HG3 LYS A 99 -25.637 -0.061 29.369 1.00 24.12 H new ATOM 0 HD2 LYS A 99 -24.963 -2.995 28.976 1.00 64.13 H new ATOM 0 HD3 LYS A 99 -25.066 -2.131 30.497 1.00 64.13 H new ATOM 0 HE2 LYS A 99 -27.429 -2.691 28.659 1.00 54.12 H new ATOM 0 HE3 LYS A 99 -27.018 -3.625 30.084 1.00 54.12 H new ATOM 0 HZ1 LYS A 99 -28.688 -1.968 30.576 1.00 11.44 H new ATOM 0 HZ2 LYS A 99 -27.261 -1.629 31.430 1.00 11.44 H new ATOM 0 HZ3 LYS A 99 -27.660 -0.724 30.050 1.00 11.44 H new ATOM 1580 N VAL A 100 -23.869 2.048 27.581 1.00 44.21 N ATOM 1581 CA VAL A 100 -23.712 3.328 28.242 1.00 41.23 C ATOM 1582 C VAL A 100 -23.048 4.338 27.331 1.00 31.20 C ATOM 1583 O VAL A 100 -23.329 5.533 27.409 1.00 54.15 O ATOM 1584 CB VAL A 100 -22.937 3.250 29.559 1.00 12.12 C ATOM 1585 CG1 VAL A 100 -23.697 2.297 30.490 1.00 0.45 C ATOM 1586 CG2 VAL A 100 -21.480 2.791 29.411 1.00 3.40 C ATOM 0 H VAL A 100 -23.016 1.489 27.558 1.00 44.21 H new ATOM 0 HA VAL A 100 -24.725 3.651 28.481 1.00 41.23 H new ATOM 0 HB VAL A 100 -22.876 4.259 29.966 1.00 12.12 H new ATOM 0 HG11 VAL A 100 -23.169 2.219 31.440 1.00 0.45 H new ATOM 0 HG12 VAL A 100 -24.702 2.682 30.663 1.00 0.45 H new ATOM 0 HG13 VAL A 100 -23.761 1.312 30.029 1.00 0.45 H new ATOM 0 HG21 VAL A 100 -21.006 2.764 30.392 1.00 3.40 H new ATOM 0 HG22 VAL A 100 -21.455 1.795 28.969 1.00 3.40 H new ATOM 0 HG23 VAL A 100 -20.943 3.487 28.767 1.00 3.40 H new ATOM 1596 N ILE A 101 -22.146 3.881 26.434 1.00 53.31 N ATOM 1597 CA ILE A 101 -21.497 4.745 25.460 1.00 64.12 C ATOM 1598 C ILE A 101 -22.417 5.259 24.368 1.00 13.24 C ATOM 1599 O ILE A 101 -23.419 4.649 23.999 1.00 65.00 O ATOM 1600 CB ILE A 101 -20.289 4.119 24.777 1.00 32.35 C ATOM 1601 CG1 ILE A 101 -20.626 2.830 23.996 1.00 30.01 C ATOM 1602 CG2 ILE A 101 -19.167 3.891 25.809 1.00 0.32 C ATOM 1603 CD1 ILE A 101 -20.037 2.827 22.589 1.00 35.05 C ATOM 0 H ILE A 101 -21.858 2.904 26.376 1.00 53.31 H new ATOM 0 HA ILE A 101 -21.173 5.578 26.084 1.00 64.12 H new ATOM 0 HB ILE A 101 -19.939 4.823 24.022 1.00 32.35 H new ATOM 0 HG12 ILE A 101 -20.249 1.967 24.546 1.00 30.01 H new ATOM 0 HG13 ILE A 101 -21.709 2.720 23.933 1.00 30.01 H new ATOM 0 HG21 ILE A 101 -18.305 3.443 25.316 1.00 0.32 H new ATOM 0 HG22 ILE A 101 -18.878 4.845 26.249 1.00 0.32 H new ATOM 0 HG23 ILE A 101 -19.524 3.223 26.593 1.00 0.32 H new ATOM 0 HD11 ILE A 101 -20.304 1.898 22.085 1.00 35.05 H new ATOM 0 HD12 ILE A 101 -20.434 3.672 22.027 1.00 35.05 H new ATOM 0 HD13 ILE A 101 -18.952 2.908 22.649 1.00 35.05 H new ATOM 1615 N THR A 102 -22.061 6.428 23.786 1.00 5.04 N ATOM 1616 CA THR A 102 -22.662 6.884 22.543 1.00 54.11 C ATOM 1617 C THR A 102 -22.296 5.995 21.374 1.00 35.31 C ATOM 1618 O THR A 102 -21.126 5.765 21.068 1.00 41.15 O ATOM 1619 CB THR A 102 -22.330 8.334 22.196 1.00 20.35 C ATOM 1620 OG1 THR A 102 -22.820 9.209 23.200 1.00 35.11 O ATOM 1621 CG2 THR A 102 -22.889 8.776 20.827 1.00 32.50 C ATOM 0 H THR A 102 -21.359 7.062 24.169 1.00 5.04 H new ATOM 0 HA THR A 102 -23.736 6.825 22.721 1.00 54.11 H new ATOM 0 HB THR A 102 -21.243 8.388 22.140 1.00 20.35 H new ATOM 0 HG1 THR A 102 -22.598 10.134 22.964 1.00 35.11 H new ATOM 0 HG21 THR A 102 -22.618 9.815 20.642 1.00 32.50 H new ATOM 0 HG22 THR A 102 -22.470 8.146 20.042 1.00 32.50 H new ATOM 0 HG23 THR A 102 -23.975 8.679 20.829 1.00 32.50 H new ATOM 1629 N ILE A 103 -23.350 5.527 20.680 1.00 62.02 N ATOM 1630 CA ILE A 103 -23.371 4.728 19.496 1.00 44.30 C ATOM 1631 C ILE A 103 -23.900 5.655 18.468 1.00 74.13 C ATOM 1632 O ILE A 103 -24.892 6.351 18.685 1.00 31.33 O ATOM 1633 CB ILE A 103 -24.287 3.521 19.550 1.00 2.11 C ATOM 1634 CG1 ILE A 103 -23.798 2.576 20.663 1.00 44.32 C ATOM 1635 CG2 ILE A 103 -24.456 2.847 18.157 1.00 13.21 C ATOM 1636 CD1 ILE A 103 -24.677 1.345 20.822 1.00 31.43 C ATOM 0 H ILE A 103 -24.299 5.737 20.991 1.00 62.02 H new ATOM 0 HA ILE A 103 -22.377 4.319 19.317 1.00 44.30 H new ATOM 0 HB ILE A 103 -25.299 3.833 19.808 1.00 2.11 H new ATOM 0 HG12 ILE A 103 -22.778 2.262 20.444 1.00 44.32 H new ATOM 0 HG13 ILE A 103 -23.768 3.120 21.607 1.00 44.32 H new ATOM 0 HG21 ILE A 103 -25.120 1.988 18.247 1.00 13.21 H new ATOM 0 HG22 ILE A 103 -24.883 3.564 17.455 1.00 13.21 H new ATOM 0 HG23 ILE A 103 -23.483 2.517 17.792 1.00 13.21 H new ATOM 0 HD11 ILE A 103 -24.283 0.717 21.621 1.00 31.43 H new ATOM 0 HD12 ILE A 103 -25.693 1.653 21.070 1.00 31.43 H new ATOM 0 HD13 ILE A 103 -24.687 0.782 19.889 1.00 31.43 H new ATOM 1648 N VAL A 104 -23.226 5.691 17.321 1.00 61.05 N ATOM 1649 CA VAL A 104 -23.649 6.533 16.251 1.00 11.34 C ATOM 1650 C VAL A 104 -24.039 5.608 15.126 1.00 34.35 C ATOM 1651 O VAL A 104 -23.267 4.752 14.699 1.00 43.23 O ATOM 1652 CB VAL A 104 -22.555 7.408 15.754 1.00 34.53 C ATOM 1653 CG1 VAL A 104 -23.044 8.397 14.735 1.00 10.12 C ATOM 1654 CG2 VAL A 104 -21.756 8.109 16.847 1.00 50.23 C ATOM 0 H VAL A 104 -22.389 5.141 17.127 1.00 61.05 H new ATOM 0 HA VAL A 104 -24.458 7.176 16.596 1.00 11.34 H new ATOM 0 HB VAL A 104 -21.859 6.722 15.271 1.00 34.53 H new ATOM 0 HG11 VAL A 104 -22.211 9.015 14.399 1.00 10.12 H new ATOM 0 HG12 VAL A 104 -23.466 7.863 13.883 1.00 10.12 H new ATOM 0 HG13 VAL A 104 -23.810 9.031 15.182 1.00 10.12 H new ATOM 0 HG21 VAL A 104 -20.980 8.725 16.392 1.00 50.23 H new ATOM 0 HG22 VAL A 104 -22.421 8.740 17.436 1.00 50.23 H new ATOM 0 HG23 VAL A 104 -21.294 7.364 17.495 1.00 50.23 H new ATOM 1664 N ALA A 105 -25.252 5.791 14.593 1.00 73.34 N ATOM 1665 CA ALA A 105 -25.712 5.117 13.400 1.00 64.10 C ATOM 1666 C ALA A 105 -24.919 5.451 12.143 1.00 24.33 C ATOM 1667 O ALA A 105 -24.535 4.577 11.371 1.00 11.53 O ATOM 1668 CB ALA A 105 -27.191 5.452 13.148 1.00 43.35 C ATOM 0 H ALA A 105 -25.944 6.424 14.994 1.00 73.34 H new ATOM 0 HA ALA A 105 -25.567 4.054 13.593 1.00 64.10 H new ATOM 0 HB1 ALA A 105 -27.531 4.941 12.247 1.00 43.35 H new ATOM 0 HB2 ALA A 105 -27.788 5.125 13.999 1.00 43.35 H new ATOM 0 HB3 ALA A 105 -27.303 6.528 13.019 1.00 43.35 H new ATOM 1674 N ASP A 106 -24.645 6.755 11.936 1.00 62.40 N ATOM 1675 CA ASP A 106 -23.834 7.284 10.859 1.00 3.50 C ATOM 1676 C ASP A 106 -22.369 6.866 10.913 1.00 22.34 C ATOM 1677 O ASP A 106 -21.735 6.677 9.879 1.00 71.14 O ATOM 1678 CB ASP A 106 -23.927 8.831 10.827 1.00 40.33 C ATOM 1679 CG ASP A 106 -25.336 9.266 10.443 1.00 54.24 C ATOM 1680 OD1 ASP A 106 -25.751 8.987 9.290 1.00 40.52 O ATOM 1681 OD2 ASP A 106 -26.008 9.872 11.318 1.00 44.44 O ATOM 0 H ASP A 106 -25.005 7.486 12.549 1.00 62.40 H new ATOM 0 HA ASP A 106 -24.245 6.852 9.946 1.00 3.50 H new ATOM 0 HB2 ASP A 106 -23.666 9.238 11.804 1.00 40.33 H new ATOM 0 HB3 ASP A 106 -23.208 9.231 10.112 1.00 40.33 H new ATOM 1686 N ASP A 107 -21.783 6.791 12.127 1.00 34.23 N ATOM 1687 CA ASP A 107 -20.347 6.757 12.301 1.00 64.31 C ATOM 1688 C ASP A 107 -19.967 5.574 13.193 1.00 55.55 C ATOM 1689 O ASP A 107 -19.895 5.765 14.408 1.00 24.15 O ATOM 1690 CB ASP A 107 -19.857 8.081 12.963 1.00 60.12 C ATOM 1691 CG ASP A 107 -18.343 8.250 12.921 1.00 32.35 C ATOM 1692 OD1 ASP A 107 -17.672 7.409 12.270 1.00 1.11 O ATOM 1693 OD2 ASP A 107 -17.844 9.211 13.560 1.00 62.12 O ATOM 0 H ASP A 107 -22.306 6.753 13.002 1.00 34.23 H new ATOM 0 HA ASP A 107 -19.874 6.648 11.325 1.00 64.31 H new ATOM 0 HB2 ASP A 107 -20.324 8.926 12.458 1.00 60.12 H new ATOM 0 HB3 ASP A 107 -20.190 8.106 14.001 1.00 60.12 H new ATOM 1698 N PRO A 108 -19.651 4.376 12.716 1.00 35.03 N ATOM 1699 CA PRO A 108 -19.293 3.253 13.580 1.00 52.42 C ATOM 1700 C PRO A 108 -17.965 3.462 14.294 1.00 75.23 C ATOM 1701 O PRO A 108 -17.654 2.708 15.217 1.00 52.01 O ATOM 1702 CB PRO A 108 -19.242 2.062 12.608 1.00 20.23 C ATOM 1703 CG PRO A 108 -18.878 2.686 11.258 1.00 3.55 C ATOM 1704 CD PRO A 108 -19.634 4.014 11.295 1.00 25.45 C ATOM 0 HA PRO A 108 -20.005 3.111 14.393 1.00 52.42 H new ATOM 0 HB2 PRO A 108 -18.499 1.327 12.919 1.00 20.23 H new ATOM 0 HB3 PRO A 108 -20.201 1.546 12.561 1.00 20.23 H new ATOM 0 HG2 PRO A 108 -17.803 2.833 11.155 1.00 3.55 H new ATOM 0 HG3 PRO A 108 -19.195 2.061 10.423 1.00 3.55 H new ATOM 0 HD2 PRO A 108 -19.133 4.775 10.696 1.00 25.45 H new ATOM 0 HD3 PRO A 108 -20.644 3.909 10.898 1.00 25.45 H new ATOM 1712 N CYS A 109 -17.157 4.460 13.867 1.00 70.05 N ATOM 1713 CA CYS A 109 -15.844 4.749 14.394 1.00 23.33 C ATOM 1714 C CYS A 109 -15.938 5.260 15.822 1.00 0.22 C ATOM 1715 O CYS A 109 -15.217 4.807 16.708 1.00 11.13 O ATOM 1716 CB CYS A 109 -15.129 5.784 13.494 1.00 33.44 C ATOM 1717 SG CYS A 109 -14.945 5.181 11.779 1.00 64.53 S ATOM 0 H CYS A 109 -17.430 5.097 13.119 1.00 70.05 H new ATOM 0 HA CYS A 109 -15.262 3.828 14.402 1.00 23.33 H new ATOM 0 HB2 CYS A 109 -15.694 6.716 13.493 1.00 33.44 H new ATOM 0 HB3 CYS A 109 -14.146 6.008 13.908 1.00 33.44 H new ATOM 1722 N GLN A 110 -16.897 6.182 16.092 1.00 14.12 N ATOM 1723 CA GLN A 110 -17.219 6.672 17.422 1.00 52.23 C ATOM 1724 C GLN A 110 -17.725 5.562 18.301 1.00 22.03 C ATOM 1725 O GLN A 110 -17.261 5.421 19.425 1.00 41.20 O ATOM 1726 CB GLN A 110 -18.293 7.792 17.394 1.00 42.04 C ATOM 1727 CG GLN A 110 -17.865 9.119 18.066 1.00 52.20 C ATOM 1728 CD GLN A 110 -17.149 10.029 17.072 1.00 41.55 C ATOM 1729 OE1 GLN A 110 -17.461 11.214 16.942 1.00 31.11 O ATOM 1730 NE2 GLN A 110 -16.210 9.427 16.304 1.00 61.04 N ATOM 0 H GLN A 110 -17.471 6.604 15.362 1.00 14.12 H new ATOM 0 HA GLN A 110 -16.291 7.079 17.823 1.00 52.23 H new ATOM 0 HB2 GLN A 110 -18.558 7.996 16.357 1.00 42.04 H new ATOM 0 HB3 GLN A 110 -19.193 7.425 17.887 1.00 42.04 H new ATOM 0 HG2 GLN A 110 -18.742 9.629 18.464 1.00 52.20 H new ATOM 0 HG3 GLN A 110 -17.208 8.908 18.910 1.00 52.20 H new ATOM 0 HE21 GLN A 110 -15.986 8.443 16.450 1.00 61.04 H new ATOM 0 HE22 GLN A 110 -15.726 9.958 15.580 1.00 61.04 H new ATOM 1739 N THR A 111 -18.635 4.706 17.776 1.00 41.45 N ATOM 1740 CA THR A 111 -19.131 3.552 18.534 1.00 55.34 C ATOM 1741 C THR A 111 -18.005 2.629 19.007 1.00 55.23 C ATOM 1742 O THR A 111 -17.952 2.285 20.185 1.00 74.52 O ATOM 1743 CB THR A 111 -20.102 2.689 17.742 1.00 71.51 C ATOM 1744 OG1 THR A 111 -21.203 3.466 17.293 1.00 11.35 O ATOM 1745 CG2 THR A 111 -20.637 1.521 18.610 1.00 52.14 C ATOM 0 H THR A 111 -19.031 4.798 16.841 1.00 41.45 H new ATOM 0 HA THR A 111 -19.641 4.001 19.386 1.00 55.34 H new ATOM 0 HB THR A 111 -19.562 2.285 16.886 1.00 71.51 H new ATOM 0 HG1 THR A 111 -21.640 3.012 16.543 1.00 11.35 H new ATOM 0 HG21 THR A 111 -21.329 0.918 18.022 1.00 52.14 H new ATOM 0 HG22 THR A 111 -19.803 0.900 18.938 1.00 52.14 H new ATOM 0 HG23 THR A 111 -21.155 1.923 19.481 1.00 52.14 H new ATOM 1753 N MET A 112 -17.030 2.254 18.141 1.00 4.34 N ATOM 1754 CA MET A 112 -15.844 1.541 18.588 1.00 61.01 C ATOM 1755 C MET A 112 -14.893 2.305 19.504 1.00 62.22 C ATOM 1756 O MET A 112 -14.490 1.782 20.537 1.00 61.45 O ATOM 1757 CB MET A 112 -15.050 0.957 17.388 1.00 25.10 C ATOM 1758 CG MET A 112 -15.124 -0.583 17.324 1.00 74.30 C ATOM 1759 SD MET A 112 -14.350 -1.396 18.763 1.00 71.21 S ATOM 1760 CE MET A 112 -14.465 -3.086 18.120 1.00 12.41 C ATOM 0 H MET A 112 -17.057 2.440 17.138 1.00 4.34 H new ATOM 0 HA MET A 112 -16.257 0.746 19.208 1.00 61.01 H new ATOM 0 HB2 MET A 112 -15.440 1.375 16.460 1.00 25.10 H new ATOM 0 HB3 MET A 112 -14.007 1.265 17.462 1.00 25.10 H new ATOM 0 HG2 MET A 112 -16.168 -0.888 17.260 1.00 74.30 H new ATOM 0 HG3 MET A 112 -14.635 -0.927 16.413 1.00 74.30 H new ATOM 0 HE1 MET A 112 -14.043 -3.781 18.846 1.00 12.41 H new ATOM 0 HE2 MET A 112 -15.511 -3.337 17.943 1.00 12.41 H new ATOM 0 HE3 MET A 112 -13.911 -3.158 17.184 1.00 12.41 H new ATOM 1770 N LEU A 113 -14.529 3.568 19.188 1.00 44.42 N ATOM 1771 CA LEU A 113 -13.610 4.377 19.990 1.00 1.11 C ATOM 1772 C LEU A 113 -14.157 4.701 21.364 1.00 4.12 C ATOM 1773 O LEU A 113 -13.474 4.522 22.373 1.00 31.14 O ATOM 1774 CB LEU A 113 -13.296 5.654 19.184 1.00 1.32 C ATOM 1775 CG LEU A 113 -12.084 6.573 19.499 1.00 61.32 C ATOM 1776 CD1 LEU A 113 -12.321 8.034 19.046 1.00 72.52 C ATOM 1777 CD2 LEU A 113 -11.408 6.467 20.865 1.00 23.04 C ATOM 0 H LEU A 113 -14.874 4.051 18.358 1.00 44.42 H new ATOM 0 HA LEU A 113 -12.699 3.810 20.179 1.00 1.11 H new ATOM 0 HB2 LEU A 113 -13.189 5.346 18.144 1.00 1.32 H new ATOM 0 HB3 LEU A 113 -14.185 6.283 19.241 1.00 1.32 H new ATOM 0 HG LEU A 113 -11.312 6.128 18.872 1.00 61.32 H new ATOM 0 HD11 LEU A 113 -11.446 8.637 19.288 1.00 72.52 H new ATOM 0 HD12 LEU A 113 -12.492 8.058 17.970 1.00 72.52 H new ATOM 0 HD13 LEU A 113 -13.193 8.438 19.561 1.00 72.52 H new ATOM 0 HD21 LEU A 113 -10.582 7.177 20.918 1.00 23.04 H new ATOM 0 HD22 LEU A 113 -12.132 6.693 21.648 1.00 23.04 H new ATOM 0 HD23 LEU A 113 -11.027 5.456 21.005 1.00 23.04 H new ATOM 1789 N ASN A 114 -15.447 5.111 21.438 1.00 41.15 N ATOM 1790 CA ASN A 114 -16.134 5.420 22.686 1.00 53.22 C ATOM 1791 C ASN A 114 -16.223 4.176 23.545 1.00 32.04 C ATOM 1792 O ASN A 114 -15.994 4.221 24.753 1.00 73.11 O ATOM 1793 CB ASN A 114 -17.592 5.928 22.519 1.00 20.21 C ATOM 1794 CG ASN A 114 -17.648 7.311 21.876 1.00 41.12 C ATOM 1795 OD1 ASN A 114 -16.711 8.110 21.913 1.00 32.33 O ATOM 1796 ND2 ASN A 114 -18.825 7.605 21.263 1.00 25.23 N ATOM 0 H ASN A 114 -16.035 5.233 20.613 1.00 41.15 H new ATOM 0 HA ASN A 114 -15.540 6.217 23.133 1.00 53.22 H new ATOM 0 HB2 ASN A 114 -18.154 5.222 21.908 1.00 20.21 H new ATOM 0 HB3 ASN A 114 -18.077 5.962 23.494 1.00 20.21 H new ATOM 0 HD21 ASN A 114 -18.954 8.512 20.814 1.00 25.23 H new ATOM 0 HD22 ASN A 114 -19.580 6.919 21.252 1.00 25.23 H new ATOM 1803 N LEU A 115 -16.532 3.012 22.923 1.00 62.24 N ATOM 1804 CA LEU A 115 -16.554 1.741 23.610 1.00 51.11 C ATOM 1805 C LEU A 115 -15.209 1.363 24.139 1.00 25.20 C ATOM 1806 O LEU A 115 -15.073 0.964 25.289 1.00 55.13 O ATOM 1807 CB LEU A 115 -17.014 0.596 22.685 1.00 45.41 C ATOM 1808 CG LEU A 115 -17.053 -0.796 23.348 1.00 52.50 C ATOM 1809 CD1 LEU A 115 -15.732 -1.583 23.341 1.00 3.50 C ATOM 1810 CD2 LEU A 115 -17.765 -0.776 24.694 1.00 43.41 C ATOM 0 H LEU A 115 -16.769 2.951 21.933 1.00 62.24 H new ATOM 0 HA LEU A 115 -17.258 1.873 24.432 1.00 51.11 H new ATOM 0 HB2 LEU A 115 -18.009 0.831 22.307 1.00 45.41 H new ATOM 0 HB3 LEU A 115 -16.348 0.554 21.823 1.00 45.41 H new ATOM 0 HG LEU A 115 -17.672 -1.396 22.681 1.00 52.50 H new ATOM 0 HD11 LEU A 115 -15.879 -2.545 23.833 1.00 3.50 H new ATOM 0 HD12 LEU A 115 -15.412 -1.747 22.312 1.00 3.50 H new ATOM 0 HD13 LEU A 115 -14.968 -1.016 23.873 1.00 3.50 H new ATOM 0 HD21 LEU A 115 -17.766 -1.779 25.120 1.00 43.41 H new ATOM 0 HD22 LEU A 115 -17.247 -0.095 25.370 1.00 43.41 H new ATOM 0 HD23 LEU A 115 -18.793 -0.439 24.557 1.00 43.41 H new ATOM 1822 N ALA A 116 -14.177 1.499 23.293 1.00 2.32 N ATOM 1823 CA ALA A 116 -12.824 1.067 23.563 1.00 2.53 C ATOM 1824 C ALA A 116 -12.252 1.829 24.731 1.00 4.50 C ATOM 1825 O ALA A 116 -11.601 1.263 25.609 1.00 53.21 O ATOM 1826 CB ALA A 116 -11.914 1.254 22.334 1.00 12.11 C ATOM 0 H ALA A 116 -14.279 1.929 22.374 1.00 2.32 H new ATOM 0 HA ALA A 116 -12.863 0.005 23.804 1.00 2.53 H new ATOM 0 HB1 ALA A 116 -10.905 0.919 22.574 1.00 12.11 H new ATOM 0 HB2 ALA A 116 -12.303 0.668 21.501 1.00 12.11 H new ATOM 0 HB3 ALA A 116 -11.890 2.308 22.056 1.00 12.11 H new ATOM 1832 N MET A 117 -12.519 3.158 24.766 1.00 62.23 N ATOM 1833 CA MET A 117 -12.052 4.005 25.832 1.00 75.41 C ATOM 1834 C MET A 117 -12.858 3.760 27.114 1.00 33.34 C ATOM 1835 O MET A 117 -12.311 3.888 28.204 1.00 73.04 O ATOM 1836 CB MET A 117 -12.018 5.498 25.360 1.00 40.10 C ATOM 1837 CG MET A 117 -13.366 6.226 25.255 1.00 53.41 C ATOM 1838 SD MET A 117 -13.192 7.949 24.694 1.00 4.23 S ATOM 1839 CE MET A 117 -14.874 8.475 25.127 1.00 3.13 C ATOM 0 H MET A 117 -13.061 3.645 24.052 1.00 62.23 H new ATOM 0 HA MET A 117 -11.024 3.750 26.088 1.00 75.41 H new ATOM 0 HB2 MET A 117 -11.384 6.057 26.048 1.00 40.10 H new ATOM 0 HB3 MET A 117 -11.537 5.534 24.383 1.00 40.10 H new ATOM 0 HG2 MET A 117 -14.013 5.686 24.563 1.00 53.41 H new ATOM 0 HG3 MET A 117 -13.858 6.213 26.227 1.00 53.41 H new ATOM 0 HE1 MET A 117 -15.169 9.311 24.492 1.00 3.13 H new ATOM 0 HE2 MET A 117 -15.565 7.645 24.978 1.00 3.13 H new ATOM 0 HE3 MET A 117 -14.901 8.786 26.171 1.00 3.13 H new ATOM 1849 N CYS A 118 -14.158 3.339 27.030 1.00 32.10 N ATOM 1850 CA CYS A 118 -14.909 2.818 28.186 1.00 0.41 C ATOM 1851 C CYS A 118 -14.425 1.448 28.657 1.00 40.32 C ATOM 1852 O CYS A 118 -14.193 1.238 29.846 1.00 63.00 O ATOM 1853 CB CYS A 118 -16.443 2.754 27.915 1.00 62.23 C ATOM 1854 SG CYS A 118 -17.499 2.197 29.314 1.00 74.34 S ATOM 0 H CYS A 118 -14.697 3.356 26.164 1.00 32.10 H new ATOM 0 HA CYS A 118 -14.716 3.535 28.984 1.00 0.41 H new ATOM 0 HB2 CYS A 118 -16.777 3.745 27.608 1.00 62.23 H new ATOM 0 HB3 CYS A 118 -16.613 2.085 27.071 1.00 62.23 H new ATOM 1859 N PHE A 119 -14.203 0.482 27.733 1.00 52.02 N ATOM 1860 CA PHE A 119 -13.609 -0.811 28.035 1.00 74.43 C ATOM 1861 C PHE A 119 -12.266 -0.758 28.727 1.00 73.23 C ATOM 1862 O PHE A 119 -12.052 -1.427 29.740 1.00 31.42 O ATOM 1863 CB PHE A 119 -13.468 -1.566 26.695 1.00 2.53 C ATOM 1864 CG PHE A 119 -12.723 -2.877 26.760 1.00 12.11 C ATOM 1865 CD1 PHE A 119 -11.346 -2.872 26.459 1.00 74.40 C ATOM 1866 CD2 PHE A 119 -13.327 -4.076 27.159 1.00 13.25 C ATOM 1867 CE1 PHE A 119 -10.593 -4.046 26.531 1.00 53.13 C ATOM 1868 CE2 PHE A 119 -12.564 -5.245 27.256 1.00 11.11 C ATOM 1869 CZ PHE A 119 -11.203 -5.235 26.938 1.00 1.02 C ATOM 0 H PHE A 119 -14.440 0.596 26.748 1.00 52.02 H new ATOM 0 HA PHE A 119 -14.267 -1.312 28.746 1.00 74.43 H new ATOM 0 HB2 PHE A 119 -14.466 -1.755 26.298 1.00 2.53 H new ATOM 0 HB3 PHE A 119 -12.960 -0.915 25.983 1.00 2.53 H new ATOM 0 HD1 PHE A 119 -10.867 -1.948 26.169 1.00 74.40 H new ATOM 0 HD2 PHE A 119 -14.381 -4.098 27.392 1.00 13.25 H new ATOM 0 HE1 PHE A 119 -9.544 -4.035 26.273 1.00 53.13 H new ATOM 0 HE2 PHE A 119 -13.031 -6.163 27.580 1.00 11.11 H new ATOM 0 HZ PHE A 119 -10.624 -6.144 27.007 1.00 1.02 H new ATOM 1879 N LYS A 120 -11.339 0.076 28.214 1.00 42.33 N ATOM 1880 CA LYS A 120 -10.038 0.272 28.781 1.00 21.31 C ATOM 1881 C LYS A 120 -10.138 0.833 30.188 1.00 61.15 C ATOM 1882 O LYS A 120 -9.328 0.541 31.067 1.00 12.31 O ATOM 1883 CB LYS A 120 -9.190 1.228 27.896 1.00 44.32 C ATOM 1884 CG LYS A 120 -7.754 1.428 28.407 1.00 53.10 C ATOM 1885 CD LYS A 120 -6.904 2.448 27.626 1.00 20.50 C ATOM 1886 CE LYS A 120 -7.421 3.885 27.757 1.00 52.43 C ATOM 1887 NZ LYS A 120 -6.347 4.852 27.458 1.00 4.11 N ATOM 0 H LYS A 120 -11.502 0.633 27.375 1.00 42.33 H new ATOM 0 HA LYS A 120 -9.547 -0.700 28.825 1.00 21.31 H new ATOM 0 HB2 LYS A 120 -9.154 0.833 26.881 1.00 44.32 H new ATOM 0 HB3 LYS A 120 -9.686 2.197 27.844 1.00 44.32 H new ATOM 0 HG2 LYS A 120 -7.799 1.743 29.450 1.00 53.10 H new ATOM 0 HG3 LYS A 120 -7.243 0.465 28.387 1.00 53.10 H new ATOM 0 HD2 LYS A 120 -5.875 2.404 27.983 1.00 20.50 H new ATOM 0 HD3 LYS A 120 -6.888 2.168 26.573 1.00 20.50 H new ATOM 0 HE2 LYS A 120 -8.257 4.040 27.076 1.00 52.43 H new ATOM 0 HE3 LYS A 120 -7.797 4.051 28.766 1.00 52.43 H new ATOM 0 HZ1 LYS A 120 -6.757 5.800 27.335 1.00 4.11 H new ATOM 0 HZ2 LYS A 120 -5.666 4.869 28.244 1.00 4.11 H new ATOM 0 HZ3 LYS A 120 -5.859 4.570 26.584 1.00 4.11 H new ATOM 1901 N ALA A 121 -11.175 1.662 30.422 1.00 12.22 N ATOM 1902 CA ALA A 121 -11.407 2.323 31.691 1.00 33.51 C ATOM 1903 C ALA A 121 -11.641 1.329 32.821 1.00 34.21 C ATOM 1904 O ALA A 121 -11.130 1.459 33.930 1.00 64.02 O ATOM 1905 CB ALA A 121 -12.621 3.265 31.571 1.00 21.01 C ATOM 0 H ALA A 121 -11.876 1.884 29.715 1.00 12.22 H new ATOM 0 HA ALA A 121 -10.511 2.894 31.934 1.00 33.51 H new ATOM 0 HB1 ALA A 121 -12.793 3.760 32.527 1.00 21.01 H new ATOM 0 HB2 ALA A 121 -12.426 4.014 30.804 1.00 21.01 H new ATOM 0 HB3 ALA A 121 -13.504 2.687 31.298 1.00 21.01 H new ATOM 1911 N GLU A 122 -12.437 0.285 32.527 1.00 44.53 N ATOM 1912 CA GLU A 122 -12.711 -0.821 33.408 1.00 22.33 C ATOM 1913 C GLU A 122 -11.513 -1.744 33.660 1.00 34.20 C ATOM 1914 O GLU A 122 -11.205 -2.034 34.807 1.00 42.01 O ATOM 1915 CB GLU A 122 -13.935 -1.566 32.824 1.00 34.02 C ATOM 1916 CG GLU A 122 -15.254 -0.741 32.890 1.00 30.32 C ATOM 1917 CD GLU A 122 -15.722 -0.429 34.313 1.00 33.12 C ATOM 1918 OE1 GLU A 122 -15.772 0.779 34.663 1.00 71.25 O ATOM 1919 OE2 GLU A 122 -16.052 -1.392 35.054 1.00 12.45 O ATOM 0 H GLU A 122 -12.916 0.203 31.630 1.00 44.53 H new ATOM 0 HA GLU A 122 -12.929 -0.439 34.405 1.00 22.33 H new ATOM 0 HB2 GLU A 122 -13.730 -1.826 31.786 1.00 34.02 H new ATOM 0 HB3 GLU A 122 -14.073 -2.502 33.366 1.00 34.02 H new ATOM 0 HG2 GLU A 122 -15.112 0.196 32.352 1.00 30.32 H new ATOM 0 HG3 GLU A 122 -16.040 -1.290 32.372 1.00 30.32 H new ATOM 1926 N ILE A 123 -10.734 -2.176 32.638 1.00 35.43 N ATOM 1927 CA ILE A 123 -9.514 -2.962 32.820 1.00 43.32 C ATOM 1928 C ILE A 123 -8.388 -2.216 33.514 1.00 22.44 C ATOM 1929 O ILE A 123 -7.529 -2.838 34.132 1.00 72.50 O ATOM 1930 CB ILE A 123 -8.994 -3.601 31.531 1.00 63.41 C ATOM 1931 CG1 ILE A 123 -8.529 -2.559 30.502 1.00 42.53 C ATOM 1932 CG2 ILE A 123 -10.075 -4.531 30.941 1.00 54.51 C ATOM 1933 CD1 ILE A 123 -8.073 -3.120 29.152 1.00 24.44 C ATOM 0 H ILE A 123 -10.947 -1.981 31.660 1.00 35.43 H new ATOM 0 HA ILE A 123 -9.837 -3.761 33.487 1.00 43.32 H new ATOM 0 HB ILE A 123 -8.112 -4.191 31.781 1.00 63.41 H new ATOM 0 HG12 ILE A 123 -9.345 -1.858 30.327 1.00 42.53 H new ATOM 0 HG13 ILE A 123 -7.707 -1.989 30.935 1.00 42.53 H new ATOM 0 HG21 ILE A 123 -9.703 -4.985 30.023 1.00 54.51 H new ATOM 0 HG22 ILE A 123 -10.315 -5.313 31.661 1.00 54.51 H new ATOM 0 HG23 ILE A 123 -10.972 -3.952 30.722 1.00 54.51 H new ATOM 0 HD11 ILE A 123 -7.766 -2.300 28.502 1.00 24.44 H new ATOM 0 HD12 ILE A 123 -7.232 -3.796 29.304 1.00 24.44 H new ATOM 0 HD13 ILE A 123 -8.896 -3.663 28.687 1.00 24.44 H new ATOM 1945 N HIS A 124 -8.394 -0.862 33.481 1.00 51.21 N ATOM 1946 CA HIS A 124 -7.521 -0.011 34.273 1.00 3.43 C ATOM 1947 C HIS A 124 -7.749 -0.206 35.768 1.00 23.32 C ATOM 1948 O HIS A 124 -6.806 -0.217 36.555 1.00 60.44 O ATOM 1949 CB HIS A 124 -7.721 1.489 33.923 1.00 30.03 C ATOM 1950 CG HIS A 124 -6.794 2.428 34.646 1.00 54.54 C ATOM 1951 ND1 HIS A 124 -5.457 2.497 34.367 1.00 2.41 N ATOM 1952 CD2 HIS A 124 -7.029 3.287 35.663 1.00 23.15 C ATOM 1953 CE1 HIS A 124 -4.897 3.369 35.186 1.00 11.53 C ATOM 1954 NE2 HIS A 124 -5.829 3.862 35.981 1.00 13.25 N ATOM 0 H HIS A 124 -9.028 -0.333 32.882 1.00 51.21 H new ATOM 0 HA HIS A 124 -6.500 -0.304 34.029 1.00 3.43 H new ATOM 0 HB2 HIS A 124 -7.585 1.620 32.849 1.00 30.03 H new ATOM 0 HB3 HIS A 124 -8.750 1.768 34.150 1.00 30.03 H new ATOM 0 HD2 HIS A 124 -7.981 3.482 36.134 1.00 23.15 H new ATOM 0 HE1 HIS A 124 -3.850 3.635 35.203 1.00 11.53 H new ATOM 0 HE2 HIS A 124 -5.679 4.557 36.712 1.00 13.25 H new ATOM 1963 N LYS A 125 -9.030 -0.338 36.193 1.00 23.15 N ATOM 1964 CA LYS A 125 -9.417 -0.422 37.595 1.00 50.15 C ATOM 1965 C LYS A 125 -9.039 -1.753 38.246 1.00 11.23 C ATOM 1966 O LYS A 125 -8.858 -1.849 39.459 1.00 43.02 O ATOM 1967 CB LYS A 125 -10.946 -0.145 37.757 1.00 42.52 C ATOM 1968 CG LYS A 125 -11.890 -1.359 37.872 1.00 1.10 C ATOM 1969 CD LYS A 125 -13.380 -0.982 37.864 1.00 61.10 C ATOM 1970 CE LYS A 125 -14.282 -2.199 38.071 1.00 13.35 C ATOM 1971 NZ LYS A 125 -15.697 -1.811 37.914 1.00 31.13 N ATOM 0 H LYS A 125 -9.822 -0.388 35.552 1.00 23.15 H new ATOM 0 HA LYS A 125 -8.852 0.348 38.120 1.00 50.15 H new ATOM 0 HB2 LYS A 125 -11.082 0.470 38.646 1.00 42.52 H new ATOM 0 HB3 LYS A 125 -11.270 0.451 36.904 1.00 42.52 H new ATOM 0 HG2 LYS A 125 -11.692 -2.042 37.046 1.00 1.10 H new ATOM 0 HG3 LYS A 125 -11.665 -1.898 38.792 1.00 1.10 H new ATOM 0 HD2 LYS A 125 -13.573 -0.251 38.649 1.00 61.10 H new ATOM 0 HD3 LYS A 125 -13.628 -0.505 36.916 1.00 61.10 H new ATOM 0 HE2 LYS A 125 -14.028 -2.977 37.351 1.00 13.35 H new ATOM 0 HE3 LYS A 125 -14.119 -2.618 39.064 1.00 13.35 H new ATOM 0 HZ1 LYS A 125 -16.308 -2.575 38.267 1.00 31.13 H new ATOM 0 HZ2 LYS A 125 -15.881 -0.942 38.455 1.00 31.13 H new ATOM 0 HZ3 LYS A 125 -15.901 -1.642 36.908 1.00 31.13 H new ATOM 1985 N LEU A 126 -8.961 -2.822 37.423 1.00 21.34 N ATOM 1986 CA LEU A 126 -8.783 -4.210 37.807 1.00 0.44 C ATOM 1987 C LEU A 126 -7.429 -4.552 38.404 1.00 21.40 C ATOM 1988 O LEU A 126 -6.399 -3.939 38.141 1.00 75.22 O ATOM 1989 CB LEU A 126 -9.061 -5.154 36.604 1.00 43.41 C ATOM 1990 CG LEU A 126 -10.532 -5.119 36.129 1.00 52.50 C ATOM 1991 CD1 LEU A 126 -10.708 -5.701 34.721 1.00 43.03 C ATOM 1992 CD2 LEU A 126 -11.477 -5.832 37.108 1.00 70.34 C ATOM 0 H LEU A 126 -9.027 -2.714 36.411 1.00 21.34 H new ATOM 0 HA LEU A 126 -9.511 -4.363 38.604 1.00 0.44 H new ATOM 0 HB2 LEU A 126 -8.411 -4.875 35.774 1.00 43.41 H new ATOM 0 HB3 LEU A 126 -8.801 -6.175 36.884 1.00 43.41 H new ATOM 0 HG LEU A 126 -10.802 -4.063 36.097 1.00 52.50 H new ATOM 0 HD11 LEU A 126 -11.759 -5.652 34.436 1.00 43.03 H new ATOM 0 HD12 LEU A 126 -10.113 -5.125 34.012 1.00 43.03 H new ATOM 0 HD13 LEU A 126 -10.377 -6.740 34.713 1.00 43.03 H new ATOM 0 HD21 LEU A 126 -12.498 -5.780 36.731 1.00 70.34 H new ATOM 0 HD22 LEU A 126 -11.179 -6.876 37.207 1.00 70.34 H new ATOM 0 HD23 LEU A 126 -11.425 -5.346 38.082 1.00 70.34 H new ATOM 2004 N ASP A 127 -7.434 -5.592 39.267 1.00 60.42 N ATOM 2005 CA ASP A 127 -6.286 -6.040 40.033 1.00 63.21 C ATOM 2006 C ASP A 127 -5.438 -7.046 39.249 1.00 62.53 C ATOM 2007 O ASP A 127 -4.433 -7.541 39.750 1.00 3.12 O ATOM 2008 CB ASP A 127 -6.801 -6.629 41.382 1.00 20.15 C ATOM 2009 CG ASP A 127 -5.694 -6.892 42.403 1.00 2.40 C ATOM 2010 OD1 ASP A 127 -5.576 -8.063 42.849 1.00 60.13 O ATOM 2011 OD2 ASP A 127 -4.995 -5.914 42.772 1.00 21.44 O ATOM 0 H ASP A 127 -8.270 -6.149 39.444 1.00 60.42 H new ATOM 0 HA ASP A 127 -5.626 -5.197 40.236 1.00 63.21 H new ATOM 0 HB2 ASP A 127 -7.526 -5.940 41.815 1.00 20.15 H new ATOM 0 HB3 ASP A 127 -7.328 -7.562 41.183 1.00 20.15 H new ATOM 2016 N TRP A 128 -5.824 -7.365 37.996 1.00 11.21 N ATOM 2017 CA TRP A 128 -5.078 -8.251 37.121 1.00 24.02 C ATOM 2018 C TRP A 128 -4.942 -7.532 35.794 1.00 22.15 C ATOM 2019 O TRP A 128 -5.760 -6.672 35.469 1.00 44.14 O ATOM 2020 CB TRP A 128 -5.775 -9.635 36.917 1.00 12.10 C ATOM 2021 CG TRP A 128 -7.123 -9.539 36.227 1.00 21.15 C ATOM 2022 CD1 TRP A 128 -8.270 -9.021 36.744 1.00 23.34 C ATOM 2023 CD2 TRP A 128 -7.370 -9.780 34.831 1.00 75.24 C ATOM 2024 NE1 TRP A 128 -9.203 -8.845 35.748 1.00 53.04 N ATOM 2025 CE2 TRP A 128 -8.671 -9.306 34.562 1.00 33.42 C ATOM 2026 CE3 TRP A 128 -6.573 -10.317 33.823 1.00 72.33 C ATOM 2027 CZ2 TRP A 128 -9.192 -9.344 33.273 1.00 51.13 C ATOM 2028 CZ3 TRP A 128 -7.113 -10.389 32.531 1.00 21.21 C ATOM 2029 CH2 TRP A 128 -8.396 -9.891 32.254 1.00 60.44 C ATOM 0 H TRP A 128 -6.677 -7.001 37.571 1.00 11.21 H new ATOM 0 HA TRP A 128 -4.110 -8.473 37.570 1.00 24.02 H new ATOM 0 HB2 TRP A 128 -5.120 -10.279 36.330 1.00 12.10 H new ATOM 0 HB3 TRP A 128 -5.906 -10.113 37.888 1.00 12.10 H new ATOM 0 HD1 TRP A 128 -8.426 -8.782 37.786 1.00 23.34 H new ATOM 0 HE1 TRP A 128 -10.132 -8.441 35.867 1.00 53.04 H new ATOM 0 HE3 TRP A 128 -5.572 -10.666 34.030 1.00 72.33 H new ATOM 0 HZ2 TRP A 128 -10.181 -8.964 33.062 1.00 51.13 H new ATOM 0 HZ3 TRP A 128 -6.533 -10.835 31.736 1.00 21.21 H new ATOM 0 HH2 TRP A 128 -8.776 -9.929 31.244 1.00 60.44 H new ATOM 2040 N ALA A 129 -3.904 -7.858 34.997 1.00 62.02 N ATOM 2041 CA ALA A 129 -3.686 -7.214 33.722 1.00 41.13 C ATOM 2042 C ALA A 129 -3.876 -8.185 32.561 1.00 62.45 C ATOM 2043 O ALA A 129 -3.125 -9.160 32.479 1.00 15.22 O ATOM 2044 CB ALA A 129 -2.269 -6.621 33.653 1.00 0.34 C ATOM 0 H ALA A 129 -3.211 -8.569 35.231 1.00 62.02 H new ATOM 0 HA ALA A 129 -4.425 -6.417 33.635 1.00 41.13 H new ATOM 0 HB1 ALA A 129 -2.123 -6.140 32.686 1.00 0.34 H new ATOM 0 HB2 ALA A 129 -2.144 -5.885 34.447 1.00 0.34 H new ATOM 0 HB3 ALA A 129 -1.535 -7.417 33.777 1.00 0.34 H new ATOM 2050 N PRO A 130 -4.812 -8.000 31.626 1.00 1.40 N ATOM 2051 CA PRO A 130 -4.700 -8.561 30.280 1.00 51.44 C ATOM 2052 C PRO A 130 -3.602 -7.821 29.530 1.00 12.51 C ATOM 2053 O PRO A 130 -3.308 -6.665 29.833 1.00 52.14 O ATOM 2054 CB PRO A 130 -6.085 -8.293 29.672 1.00 12.24 C ATOM 2055 CG PRO A 130 -6.571 -7.015 30.365 1.00 25.42 C ATOM 2056 CD PRO A 130 -5.976 -7.114 31.768 1.00 2.13 C ATOM 0 HA PRO A 130 -4.440 -9.619 30.248 1.00 51.44 H new ATOM 0 HB2 PRO A 130 -6.025 -8.160 28.592 1.00 12.24 H new ATOM 0 HB3 PRO A 130 -6.765 -9.125 29.853 1.00 12.24 H new ATOM 0 HG2 PRO A 130 -6.225 -6.122 29.846 1.00 25.42 H new ATOM 0 HG3 PRO A 130 -7.659 -6.965 30.394 1.00 25.42 H new ATOM 0 HD2 PRO A 130 -5.682 -6.133 32.142 1.00 2.13 H new ATOM 0 HD3 PRO A 130 -6.698 -7.522 32.475 1.00 2.13 H new ATOM 2064 N THR A 131 -2.970 -8.471 28.533 1.00 5.41 N ATOM 2065 CA THR A 131 -2.030 -7.819 27.634 1.00 22.21 C ATOM 2066 C THR A 131 -2.860 -7.179 26.545 1.00 42.32 C ATOM 2067 O THR A 131 -4.045 -7.485 26.404 1.00 34.21 O ATOM 2068 CB THR A 131 -0.980 -8.752 27.009 1.00 70.31 C ATOM 2069 OG1 THR A 131 -1.467 -9.636 26.004 1.00 71.03 O ATOM 2070 CG2 THR A 131 -0.457 -9.669 28.121 1.00 74.40 C ATOM 0 H THR A 131 -3.105 -9.463 28.338 1.00 5.41 H new ATOM 0 HA THR A 131 -1.448 -7.101 28.212 1.00 22.21 H new ATOM 0 HB THR A 131 -0.243 -8.093 26.550 1.00 70.31 H new ATOM 0 HG1 THR A 131 -0.729 -10.186 25.666 1.00 71.03 H new ATOM 0 HG21 THR A 131 0.292 -10.346 27.712 1.00 74.40 H new ATOM 0 HG22 THR A 131 -0.008 -9.065 28.910 1.00 74.40 H new ATOM 0 HG23 THR A 131 -1.283 -10.248 28.534 1.00 74.40 H new ATOM 2078 N LEU A 132 -2.279 -6.301 25.699 1.00 63.40 N ATOM 2079 CA LEU A 132 -3.025 -5.700 24.606 1.00 2.31 C ATOM 2080 C LEU A 132 -3.527 -6.730 23.611 1.00 61.53 C ATOM 2081 O LEU A 132 -4.624 -6.581 23.088 1.00 54.33 O ATOM 2082 CB LEU A 132 -2.244 -4.594 23.843 1.00 62.22 C ATOM 2083 CG LEU A 132 -2.008 -3.275 24.627 1.00 63.12 C ATOM 2084 CD1 LEU A 132 -3.306 -2.703 25.225 1.00 61.41 C ATOM 2085 CD2 LEU A 132 -0.905 -3.362 25.695 1.00 44.21 C ATOM 0 H LEU A 132 -1.305 -6.004 25.762 1.00 63.40 H new ATOM 0 HA LEU A 132 -3.876 -5.227 25.096 1.00 2.31 H new ATOM 0 HB2 LEU A 132 -1.276 -4.997 23.547 1.00 62.22 H new ATOM 0 HB3 LEU A 132 -2.785 -4.359 22.927 1.00 62.22 H new ATOM 0 HG LEU A 132 -1.645 -2.577 23.872 1.00 63.12 H new ATOM 0 HD11 LEU A 132 -3.084 -1.781 25.762 1.00 61.41 H new ATOM 0 HD12 LEU A 132 -4.015 -2.494 24.424 1.00 61.41 H new ATOM 0 HD13 LEU A 132 -3.740 -3.428 25.913 1.00 61.41 H new ATOM 0 HD21 LEU A 132 -0.806 -2.398 26.195 1.00 44.21 H new ATOM 0 HD22 LEU A 132 -1.167 -4.125 26.428 1.00 44.21 H new ATOM 0 HD23 LEU A 132 0.041 -3.624 25.221 1.00 44.21 H new ATOM 2097 N ASP A 133 -2.777 -7.834 23.377 1.00 55.33 N ATOM 2098 CA ASP A 133 -3.160 -8.882 22.440 1.00 54.41 C ATOM 2099 C ASP A 133 -4.488 -9.541 22.818 1.00 34.32 C ATOM 2100 O ASP A 133 -5.312 -9.814 21.957 1.00 30.20 O ATOM 2101 CB ASP A 133 -2.072 -9.986 22.368 1.00 51.32 C ATOM 2102 CG ASP A 133 -0.792 -9.439 21.754 1.00 14.11 C ATOM 2103 OD1 ASP A 133 0.231 -9.412 22.488 1.00 3.41 O ATOM 2104 OD2 ASP A 133 -0.821 -9.051 20.559 1.00 53.42 O ATOM 0 H ASP A 133 -1.887 -8.010 23.843 1.00 55.33 H new ATOM 0 HA ASP A 133 -3.270 -8.396 21.471 1.00 54.41 H new ATOM 0 HB2 ASP A 133 -1.867 -10.368 23.368 1.00 51.32 H new ATOM 0 HB3 ASP A 133 -2.436 -10.825 21.775 1.00 51.32 H new ATOM 2109 N VAL A 134 -4.713 -9.790 24.121 1.00 63.42 N ATOM 2110 CA VAL A 134 -5.934 -10.351 24.696 1.00 33.51 C ATOM 2111 C VAL A 134 -6.984 -9.304 24.980 1.00 41.24 C ATOM 2112 O VAL A 134 -8.147 -9.490 24.617 1.00 1.22 O ATOM 2113 CB VAL A 134 -5.698 -11.259 25.897 1.00 24.21 C ATOM 2114 CG1 VAL A 134 -4.577 -10.752 26.779 1.00 54.41 C ATOM 2115 CG2 VAL A 134 -6.972 -11.612 26.695 1.00 44.04 C ATOM 0 H VAL A 134 -4.008 -9.593 24.831 1.00 63.42 H new ATOM 0 HA VAL A 134 -6.330 -10.998 23.913 1.00 33.51 H new ATOM 0 HB VAL A 134 -5.374 -12.210 25.475 1.00 24.21 H new ATOM 0 HG11 VAL A 134 -4.443 -11.429 27.623 1.00 54.41 H new ATOM 0 HG12 VAL A 134 -3.653 -10.704 26.202 1.00 54.41 H new ATOM 0 HG13 VAL A 134 -4.826 -9.757 27.148 1.00 54.41 H new ATOM 0 HG21 VAL A 134 -6.710 -12.261 27.531 1.00 44.04 H new ATOM 0 HG22 VAL A 134 -7.428 -10.698 27.075 1.00 44.04 H new ATOM 0 HG23 VAL A 134 -7.678 -12.127 26.044 1.00 44.04 H new ATOM 2125 N ALA A 135 -6.609 -8.150 25.588 1.00 11.54 N ATOM 2126 CA ALA A 135 -7.536 -7.080 25.900 1.00 10.22 C ATOM 2127 C ALA A 135 -8.176 -6.482 24.678 1.00 31.40 C ATOM 2128 O ALA A 135 -9.396 -6.343 24.623 1.00 24.53 O ATOM 2129 CB ALA A 135 -6.837 -5.947 26.671 1.00 34.33 C ATOM 0 H ALA A 135 -5.648 -7.954 25.868 1.00 11.54 H new ATOM 0 HA ALA A 135 -8.312 -7.540 26.512 1.00 10.22 H new ATOM 0 HB1 ALA A 135 -7.557 -5.159 26.891 1.00 34.33 H new ATOM 0 HB2 ALA A 135 -6.431 -6.338 27.604 1.00 34.33 H new ATOM 0 HB3 ALA A 135 -6.027 -5.540 26.065 1.00 34.33 H new ATOM 2135 N VAL A 136 -7.388 -6.159 23.627 1.00 20.44 N ATOM 2136 CA VAL A 136 -8.004 -5.691 22.407 1.00 32.04 C ATOM 2137 C VAL A 136 -8.505 -6.874 21.639 1.00 54.35 C ATOM 2138 O VAL A 136 -9.480 -6.759 20.909 1.00 11.05 O ATOM 2139 CB VAL A 136 -7.131 -4.855 21.480 1.00 15.01 C ATOM 2140 CG1 VAL A 136 -6.352 -3.827 22.314 1.00 31.24 C ATOM 2141 CG2 VAL A 136 -6.270 -5.610 20.452 1.00 53.40 C ATOM 0 H VAL A 136 -6.370 -6.216 23.614 1.00 20.44 H new ATOM 0 HA VAL A 136 -8.795 -5.018 22.737 1.00 32.04 H new ATOM 0 HB VAL A 136 -7.817 -4.340 20.808 1.00 15.01 H new ATOM 0 HG11 VAL A 136 -5.725 -3.225 21.656 1.00 31.24 H new ATOM 0 HG12 VAL A 136 -7.053 -3.179 22.840 1.00 31.24 H new ATOM 0 HG13 VAL A 136 -5.725 -4.346 23.038 1.00 31.24 H new ATOM 0 HG21 VAL A 136 -5.700 -4.895 19.859 1.00 53.40 H new ATOM 0 HG22 VAL A 136 -5.584 -6.278 20.973 1.00 53.40 H new ATOM 0 HG23 VAL A 136 -6.915 -6.193 19.795 1.00 53.40 H new ATOM 2151 N GLY A 137 -7.852 -8.055 21.769 1.00 0.32 N ATOM 2152 CA GLY A 137 -8.208 -9.201 20.949 1.00 24.42 C ATOM 2153 C GLY A 137 -9.606 -9.691 21.160 1.00 11.04 C ATOM 2154 O GLY A 137 -10.289 -10.010 20.194 1.00 31.52 O ATOM 0 H GLY A 137 -7.091 -8.221 22.427 1.00 0.32 H new ATOM 0 HA2 GLY A 137 -8.081 -8.937 19.899 1.00 24.42 H new ATOM 0 HA3 GLY A 137 -7.513 -10.014 21.159 1.00 24.42 H new ATOM 2158 N GLU A 138 -10.094 -9.735 22.424 1.00 70.53 N ATOM 2159 CA GLU A 138 -11.483 -10.079 22.682 1.00 74.20 C ATOM 2160 C GLU A 138 -12.470 -9.065 22.110 1.00 22.11 C ATOM 2161 O GLU A 138 -13.518 -9.445 21.587 1.00 30.11 O ATOM 2162 CB GLU A 138 -11.796 -10.292 24.183 1.00 21.52 C ATOM 2163 CG GLU A 138 -10.922 -11.428 24.755 1.00 72.44 C ATOM 2164 CD GLU A 138 -11.578 -12.146 25.925 1.00 35.21 C ATOM 2165 OE1 GLU A 138 -11.055 -12.029 27.059 1.00 0.21 O ATOM 2166 OE2 GLU A 138 -12.555 -12.889 25.657 1.00 22.45 O ATOM 0 H GLU A 138 -9.543 -9.537 23.259 1.00 70.53 H new ATOM 0 HA GLU A 138 -11.615 -11.028 22.163 1.00 74.20 H new ATOM 0 HB2 GLU A 138 -11.613 -9.370 24.734 1.00 21.52 H new ATOM 0 HB3 GLU A 138 -12.851 -10.536 24.311 1.00 21.52 H new ATOM 0 HG2 GLU A 138 -10.709 -12.149 23.966 1.00 72.44 H new ATOM 0 HG3 GLU A 138 -9.965 -11.017 25.077 1.00 72.44 H new ATOM 2173 N LEU A 139 -12.146 -7.749 22.172 1.00 61.45 N ATOM 2174 CA LEU A 139 -12.917 -6.687 21.563 1.00 1.43 C ATOM 2175 C LEU A 139 -12.951 -6.761 20.088 1.00 45.12 C ATOM 2176 O LEU A 139 -14.009 -6.688 19.467 1.00 51.33 O ATOM 2177 CB LEU A 139 -12.315 -5.283 21.781 1.00 60.43 C ATOM 2178 CG LEU A 139 -12.469 -4.699 23.165 1.00 31.55 C ATOM 2179 CD1 LEU A 139 -11.816 -3.308 23.178 1.00 74.00 C ATOM 2180 CD2 LEU A 139 -13.970 -4.630 23.454 1.00 45.31 C ATOM 0 H LEU A 139 -11.318 -7.411 22.663 1.00 61.45 H new ATOM 0 HA LEU A 139 -13.890 -6.823 22.035 1.00 1.43 H new ATOM 0 HB2 LEU A 139 -11.252 -5.325 21.543 1.00 60.43 H new ATOM 0 HB3 LEU A 139 -12.774 -4.599 21.067 1.00 60.43 H new ATOM 0 HG LEU A 139 -11.984 -5.301 23.933 1.00 31.55 H new ATOM 0 HD11 LEU A 139 -11.916 -2.868 24.170 1.00 74.00 H new ATOM 0 HD12 LEU A 139 -10.759 -3.400 22.927 1.00 74.00 H new ATOM 0 HD13 LEU A 139 -12.308 -2.668 22.446 1.00 74.00 H new ATOM 0 HD21 LEU A 139 -14.130 -4.212 24.448 1.00 45.31 H new ATOM 0 HD22 LEU A 139 -14.455 -3.996 22.712 1.00 45.31 H new ATOM 0 HD23 LEU A 139 -14.396 -5.632 23.409 1.00 45.31 H new ATOM 2192 N LEU A 140 -11.749 -6.892 19.499 1.00 50.30 N ATOM 2193 CA LEU A 140 -11.647 -6.927 18.071 1.00 0.40 C ATOM 2194 C LEU A 140 -12.266 -8.187 17.494 1.00 62.22 C ATOM 2195 O LEU A 140 -12.970 -8.136 16.490 1.00 22.23 O ATOM 2196 CB LEU A 140 -10.184 -6.714 17.590 1.00 44.21 C ATOM 2197 CG LEU A 140 -9.583 -5.311 17.886 1.00 62.24 C ATOM 2198 CD1 LEU A 140 -8.189 -5.186 17.241 1.00 4.05 C ATOM 2199 CD2 LEU A 140 -10.442 -4.104 17.478 1.00 11.41 C ATOM 0 H LEU A 140 -10.863 -6.972 19.998 1.00 50.30 H new ATOM 0 HA LEU A 140 -12.226 -6.088 17.685 1.00 0.40 H new ATOM 0 HB2 LEU A 140 -9.552 -7.468 18.059 1.00 44.21 H new ATOM 0 HB3 LEU A 140 -10.144 -6.888 16.515 1.00 44.21 H new ATOM 0 HG LEU A 140 -9.532 -5.266 18.974 1.00 62.24 H new ATOM 0 HD11 LEU A 140 -7.777 -4.200 17.454 1.00 4.05 H new ATOM 0 HD12 LEU A 140 -7.529 -5.951 17.650 1.00 4.05 H new ATOM 0 HD13 LEU A 140 -8.274 -5.318 16.162 1.00 4.05 H new ATOM 0 HD21 LEU A 140 -9.919 -3.182 17.734 1.00 11.41 H new ATOM 0 HD22 LEU A 140 -10.622 -4.132 16.403 1.00 11.41 H new ATOM 0 HD23 LEU A 140 -11.394 -4.140 18.007 1.00 11.41 H new ATOM 2211 N ALA A 141 -12.083 -9.353 18.154 1.00 23.11 N ATOM 2212 CA ALA A 141 -12.776 -10.563 17.789 1.00 63.45 C ATOM 2213 C ALA A 141 -14.291 -10.490 17.922 1.00 33.13 C ATOM 2214 O ALA A 141 -14.997 -11.033 17.081 1.00 11.14 O ATOM 2215 CB ALA A 141 -12.264 -11.754 18.620 1.00 72.12 C ATOM 0 H ALA A 141 -11.450 -9.459 18.947 1.00 23.11 H new ATOM 0 HA ALA A 141 -12.557 -10.700 16.730 1.00 63.45 H new ATOM 0 HB1 ALA A 141 -12.800 -12.658 18.329 1.00 72.12 H new ATOM 0 HB2 ALA A 141 -11.198 -11.891 18.441 1.00 72.12 H new ATOM 0 HB3 ALA A 141 -12.432 -11.558 19.679 1.00 72.12 H new ATOM 2221 N ASP A 142 -14.845 -9.853 18.979 1.00 62.20 N ATOM 2222 CA ASP A 142 -16.281 -9.757 19.165 1.00 54.32 C ATOM 2223 C ASP A 142 -16.837 -8.415 18.678 1.00 72.13 C ATOM 2224 O ASP A 142 -17.748 -7.864 19.292 1.00 12.41 O ATOM 2225 CB ASP A 142 -16.604 -10.002 20.669 1.00 62.43 C ATOM 2226 CG ASP A 142 -18.082 -10.277 20.950 1.00 60.11 C ATOM 2227 OD1 ASP A 142 -18.639 -9.632 21.875 1.00 64.05 O ATOM 2228 OD2 ASP A 142 -18.646 -11.173 20.269 1.00 72.52 O ATOM 0 H ASP A 142 -14.300 -9.400 19.713 1.00 62.20 H new ATOM 0 HA ASP A 142 -16.771 -10.519 18.558 1.00 54.32 H new ATOM 0 HB2 ASP A 142 -16.014 -10.847 21.024 1.00 62.43 H new ATOM 0 HB3 ASP A 142 -16.291 -9.130 21.244 1.00 62.43 H new ATOM 2233 N THR A 143 -16.343 -7.838 17.555 1.00 52.22 N ATOM 2234 CA THR A 143 -16.960 -6.615 17.020 1.00 71.13 C ATOM 2235 C THR A 143 -18.318 -6.883 16.307 1.00 5.33 C ATOM 2236 O THR A 143 -18.411 -7.873 15.528 1.00 0.00 O ATOM 2237 CB THR A 143 -16.050 -5.798 16.094 1.00 74.14 C ATOM 2238 OG1 THR A 143 -16.657 -4.554 15.772 1.00 11.35 O ATOM 2239 CG2 THR A 143 -15.710 -6.507 14.778 1.00 11.12 C ATOM 2240 OXT THR A 143 -19.283 -6.115 16.567 1.00 0.00 O ATOM 0 H THR A 143 -15.547 -8.190 17.023 1.00 52.22 H new ATOM 0 HA THR A 143 -17.140 -6.013 17.911 1.00 71.13 H new ATOM 0 HB THR A 143 -15.124 -5.659 16.652 1.00 74.14 H new ATOM 0 HG1 THR A 143 -16.064 -4.044 15.182 1.00 11.35 H new ATOM 0 HG21 THR A 143 -15.064 -5.868 14.177 1.00 11.12 H new ATOM 0 HG22 THR A 143 -15.196 -7.444 14.992 1.00 11.12 H new ATOM 0 HG23 THR A 143 -16.628 -6.714 14.228 1.00 11.12 H new TER 2248 THR A 143