USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1077 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: B 117 SER OG : rot 160:sc= 0.416 USER MOD Set 1.2: B 119 HIS : no HD1:sc= 0 X(o=0.42,f=0.39) USER MOD Set 2.1: B 97 ASN : amide:sc= 0.858 K(o=1.8,f=-0.34) USER MOD Set 2.2: B 104 TYR OH : rot -175:sc= 0.986 USER MOD Set 3.1: A 25 GLN : amide:sc= 0.0324 K(o=0.017,f=-4.2!) USER MOD Set 3.2: A 65 MET CE :methyl 180:sc= -0.0158 (180deg=-0.0158) USER MOD Set 4.1: A 54 THR OG1 : rot -170:sc= -0.0697 USER MOD Set 4.2: A 57 THR OG1 : rot -170:sc= 0.356 USER MOD Set 5.1: A 15 CYS SG : rot -119:sc= 1.52 USER MOD Set 5.2: A 17 SER OG : rot -152:sc= 1.22 USER MOD Set 5.3: A 18 CYS SG : rot 97:sc= -9.58! USER MOD Set 5.4: A 21 THR OG1 : rot 83:sc= 0.548 USER MOD Set 5.5: B 84 THR OG1 : rot 180:sc= 0.951 USER MOD Set 5.6: B 85 CYS SG : rot -98:sc= -7! USER MOD Set 5.7: B 88 CYS SG : rot 61:sc= 0.713 USER MOD Set 5.8: B 133 LYS NZ :NH3+ -135:sc= 0.616 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0036 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -154:sc= -0.128 (180deg=-1.47) USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.134 USER MOD Single : A 16 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 HIS : no HE2:sc= 0.29 K(o=0.29,f=-1) USER MOD Single : A 34 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc=-0.00593 (180deg=-0.13) USER MOD Single : A 43 ASN : amide:sc= 0.787 K(o=0.79,f=-0.049) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0.88 (180deg=0.827) USER MOD Single : A 53 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.15 K(o=0.15,f=-3.3) USER MOD Single : A 72 HIS : no HE2:sc= -0.186 X(o=-0.19,f=-0.23) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl -174:sc= 0 (180deg=-0.0929) USER MOD Single : B 76 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0.977) USER MOD Single : B 77 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-0.88) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 93 SER OG : rot 79:sc= 1.29 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.802) USER MOD Single : B 114 CYS SG : rot -140:sc= -0.115 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl -169:sc= 0 (180deg=-0.0526) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot -140:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot -90:sc= 1.25 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 13:sc= 0.00405 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -7.002 -7.811 26.736 1.00 0.00 N ATOM 21 CA GLY A 2 -5.859 -6.992 26.317 1.00 0.00 C ATOM 22 C GLY A 2 -5.131 -7.484 25.066 1.00 0.00 C ATOM 23 O GLY A 2 -4.364 -6.698 24.513 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.207 -5.975 26.139 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.145 -6.945 27.139 1.00 0.00 H new ATOM 27 N VAL A 3 -5.379 -8.718 24.606 1.00 0.00 N ATOM 28 CA VAL A 3 -4.895 -9.236 23.311 1.00 0.00 C ATOM 29 C VAL A 3 -5.939 -10.119 22.622 1.00 0.00 C ATOM 30 O VAL A 3 -6.496 -11.036 23.227 1.00 0.00 O ATOM 31 CB VAL A 3 -3.567 -10.032 23.396 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.348 -9.104 23.485 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.485 -11.081 24.515 1.00 0.00 C ATOM 0 H VAL A 3 -5.930 -9.398 25.129 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.708 -8.336 22.724 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.556 -10.589 22.459 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.439 -9.702 23.543 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.309 -8.469 22.600 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.429 -8.481 24.375 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.514 -11.575 24.480 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.608 -10.592 25.482 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.274 -11.821 24.379 1.00 0.00 H new ATOM 43 N ASN A 4 -6.153 -9.864 21.329 1.00 0.00 N ATOM 44 CA ASN A 4 -7.008 -10.662 20.452 1.00 0.00 C ATOM 45 C ASN A 4 -6.250 -11.054 19.172 1.00 0.00 C ATOM 46 O ASN A 4 -5.905 -10.201 18.356 1.00 0.00 O ATOM 47 CB ASN A 4 -8.270 -9.856 20.112 1.00 0.00 C ATOM 48 CG ASN A 4 -9.207 -9.705 21.302 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.000 -8.882 22.183 1.00 0.00 O ATOM 50 ND2 ASN A 4 -10.263 -10.491 21.378 1.00 0.00 N ATOM 0 H ASN A 4 -5.722 -9.073 20.851 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.296 -11.581 20.963 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.980 -8.868 19.755 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.801 -10.347 19.296 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.902 -10.411 22.169 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.440 -11.179 20.646 1.00 0.00 H new ATOM 57 N SER A 5 -5.979 -12.347 18.976 1.00 0.00 N ATOM 58 CA SER A 5 -5.349 -12.858 17.746 1.00 0.00 C ATOM 59 C SER A 5 -6.381 -13.063 16.628 1.00 0.00 C ATOM 60 O SER A 5 -7.391 -13.739 16.847 1.00 0.00 O ATOM 61 CB SER A 5 -4.642 -14.199 17.995 1.00 0.00 C ATOM 62 OG SER A 5 -3.589 -14.079 18.931 1.00 0.00 O ATOM 0 H SER A 5 -6.188 -13.072 19.662 1.00 0.00 H new ATOM 0 HA SER A 5 -4.621 -12.107 17.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.367 -14.929 18.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.248 -14.581 17.053 1.00 0.00 H new ATOM 0 HG SER A 5 -3.167 -14.954 19.062 1.00 0.00 H new ATOM 68 N VAL A 6 -6.122 -12.537 15.426 1.00 0.00 N ATOM 69 CA VAL A 6 -6.938 -12.779 14.221 1.00 0.00 C ATOM 70 C VAL A 6 -6.039 -13.058 13.015 1.00 0.00 C ATOM 71 O VAL A 6 -4.937 -12.513 12.905 1.00 0.00 O ATOM 72 CB VAL A 6 -7.924 -11.612 13.958 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.229 -10.274 13.664 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.908 -11.911 12.814 1.00 0.00 C ATOM 0 H VAL A 6 -5.328 -11.920 15.255 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.548 -13.666 14.392 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.473 -11.519 14.895 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.981 -9.504 13.490 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.610 -9.991 14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.603 -10.376 12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.574 -11.059 12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.352 -12.091 11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.496 -12.795 13.062 1.00 0.00 H new ATOM 84 N THR A 7 -6.520 -13.923 12.117 1.00 0.00 N ATOM 85 CA THR A 7 -5.862 -14.271 10.852 1.00 0.00 C ATOM 86 C THR A 7 -6.670 -13.727 9.682 1.00 0.00 C ATOM 87 O THR A 7 -7.892 -13.840 9.622 1.00 0.00 O ATOM 88 CB THR A 7 -5.661 -15.784 10.692 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.170 -16.357 11.878 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.626 -16.103 9.608 1.00 0.00 C ATOM 0 H THR A 7 -7.403 -14.415 12.253 1.00 0.00 H new ATOM 0 HA THR A 7 -4.872 -13.814 10.865 1.00 0.00 H new ATOM 0 HB THR A 7 -6.638 -16.189 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.052 -17.322 11.751 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.510 -17.183 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.962 -15.698 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.669 -15.655 9.876 1.00 0.00 H new ATOM 98 N ILE A 8 -5.971 -13.153 8.714 1.00 0.00 N ATOM 99 CA ILE A 8 -6.504 -12.602 7.471 1.00 0.00 C ATOM 100 C ILE A 8 -5.776 -13.274 6.304 1.00 0.00 C ATOM 101 O ILE A 8 -4.565 -13.148 6.124 1.00 0.00 O ATOM 102 CB ILE A 8 -6.380 -11.055 7.471 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.077 -10.465 8.722 1.00 0.00 C ATOM 104 CG2 ILE A 8 -6.956 -10.445 6.180 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.207 -8.938 8.743 1.00 0.00 C ATOM 0 H ILE A 8 -4.958 -13.052 8.776 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.569 -12.811 7.368 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.321 -10.798 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.074 -10.899 8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.523 -10.778 9.607 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.853 -9.360 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.413 -10.835 5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.010 -10.707 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.708 -8.628 9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.215 -8.488 8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.790 -8.611 7.882 1.00 0.00 H new ATOM 117 N SER A 9 -6.511 -13.987 5.467 1.00 0.00 N ATOM 118 CA SER A 9 -6.049 -14.459 4.165 1.00 0.00 C ATOM 119 C SER A 9 -5.816 -13.247 3.251 1.00 0.00 C ATOM 120 O SER A 9 -6.696 -12.868 2.482 1.00 0.00 O ATOM 121 CB SER A 9 -7.082 -15.424 3.565 1.00 0.00 C ATOM 122 OG SER A 9 -7.359 -16.491 4.457 1.00 0.00 O ATOM 0 H SER A 9 -7.471 -14.263 5.676 1.00 0.00 H new ATOM 0 HA SER A 9 -5.110 -15.002 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.002 -14.884 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.708 -15.822 2.621 1.00 0.00 H new ATOM 0 HG SER A 9 -8.021 -17.091 4.054 1.00 0.00 H new ATOM 128 N VAL A 10 -4.663 -12.587 3.398 1.00 0.00 N ATOM 129 CA VAL A 10 -4.124 -11.611 2.436 1.00 0.00 C ATOM 130 C VAL A 10 -3.588 -12.389 1.224 1.00 0.00 C ATOM 131 O VAL A 10 -2.438 -12.829 1.200 1.00 0.00 O ATOM 132 CB VAL A 10 -3.053 -10.681 3.053 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.500 -9.685 2.016 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.636 -9.861 4.215 1.00 0.00 C ATOM 0 H VAL A 10 -4.060 -12.718 4.210 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.923 -10.939 2.124 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.253 -11.331 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.750 -9.049 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.045 -10.234 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.313 -9.067 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.861 -9.216 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.461 -9.249 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.000 -10.536 4.990 1.00 0.00 H new ATOM 144 N GLU A 11 -4.472 -12.602 0.249 1.00 0.00 N ATOM 145 CA GLU A 11 -4.272 -13.527 -0.877 1.00 0.00 C ATOM 146 C GLU A 11 -3.198 -13.051 -1.876 1.00 0.00 C ATOM 147 O GLU A 11 -2.482 -13.872 -2.449 1.00 0.00 O ATOM 148 CB GLU A 11 -5.609 -13.764 -1.616 1.00 0.00 C ATOM 149 CG GLU A 11 -6.654 -14.522 -0.776 1.00 0.00 C ATOM 150 CD GLU A 11 -7.913 -14.880 -1.578 1.00 0.00 C ATOM 151 OE1 GLU A 11 -7.812 -15.628 -2.583 1.00 0.00 O ATOM 152 OE2 GLU A 11 -9.024 -14.425 -1.223 1.00 0.00 O ATOM 0 H GLU A 11 -5.373 -12.125 0.216 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.909 -14.461 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.025 -12.802 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.414 -14.325 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.206 -15.435 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.936 -13.912 0.082 1.00 0.00 H new ATOM 159 N GLY A 12 -3.046 -11.735 -2.079 1.00 0.00 N ATOM 160 CA GLY A 12 -2.246 -11.171 -3.182 1.00 0.00 C ATOM 161 C GLY A 12 -0.724 -11.146 -2.980 1.00 0.00 C ATOM 162 O GLY A 12 -0.007 -10.711 -3.880 1.00 0.00 O ATOM 0 H GLY A 12 -3.475 -11.027 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.461 -11.741 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.583 -10.150 -3.361 1.00 0.00 H new ATOM 166 N MET A 13 -0.202 -11.578 -1.826 1.00 0.00 N ATOM 167 CA MET A 13 1.243 -11.539 -1.527 1.00 0.00 C ATOM 168 C MET A 13 2.042 -12.633 -2.254 1.00 0.00 C ATOM 169 O MET A 13 1.603 -13.784 -2.316 1.00 0.00 O ATOM 170 CB MET A 13 1.508 -11.573 -0.023 1.00 0.00 C ATOM 171 CG MET A 13 1.115 -10.230 0.606 1.00 0.00 C ATOM 172 SD MET A 13 1.515 -10.052 2.361 1.00 0.00 S ATOM 173 CE MET A 13 0.741 -11.564 2.967 1.00 0.00 C ATOM 0 H MET A 13 -0.766 -11.966 -1.070 1.00 0.00 H new ATOM 0 HA MET A 13 1.601 -10.585 -1.915 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.939 -12.381 0.437 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.562 -11.778 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.610 -9.431 0.055 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.042 -10.088 0.479 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.465 -11.437 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.152 -11.776 2.380 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.442 -12.394 2.874 1.00 0.00 H new ATOM 183 N THR A 14 3.211 -12.246 -2.782 1.00 0.00 N ATOM 184 CA THR A 14 4.188 -13.026 -3.575 1.00 0.00 C ATOM 185 C THR A 14 5.411 -12.131 -3.833 1.00 0.00 C ATOM 186 O THR A 14 5.821 -11.882 -4.970 1.00 0.00 O ATOM 187 CB THR A 14 3.553 -13.715 -4.788 1.00 0.00 C ATOM 188 OG1 THR A 14 4.535 -14.385 -5.537 1.00 0.00 O ATOM 189 CG2 THR A 14 2.821 -12.737 -5.687 1.00 0.00 C ATOM 0 H THR A 14 3.533 -11.287 -2.656 1.00 0.00 H new ATOM 0 HA THR A 14 4.553 -13.890 -3.020 1.00 0.00 H new ATOM 0 HB THR A 14 2.825 -14.428 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.269 -13.768 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.389 -13.273 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.027 -12.248 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.521 -11.986 -6.054 1.00 0.00 H new ATOM 197 N CYS A 15 5.902 -11.550 -2.735 1.00 0.00 N ATOM 198 CA CYS A 15 6.422 -10.189 -2.676 1.00 0.00 C ATOM 199 C CYS A 15 7.835 -10.065 -2.028 1.00 0.00 C ATOM 200 O CYS A 15 8.502 -11.063 -1.737 1.00 0.00 O ATOM 201 CB CYS A 15 5.324 -9.409 -1.918 1.00 0.00 C ATOM 202 SG CYS A 15 3.855 -9.164 -2.956 1.00 0.00 S ATOM 0 H CYS A 15 5.948 -12.032 -1.837 1.00 0.00 H new ATOM 0 HA CYS A 15 6.607 -9.787 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.047 -9.952 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.714 -8.442 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 15 3.641 -7.891 -3.111 1.00 0.00 H new ATOM 207 N ASN A 16 8.273 -8.821 -1.799 1.00 0.00 N ATOM 208 CA ASN A 16 9.563 -8.447 -1.197 1.00 0.00 C ATOM 209 C ASN A 16 9.472 -7.236 -0.235 1.00 0.00 C ATOM 210 O ASN A 16 10.230 -7.174 0.730 1.00 0.00 O ATOM 211 CB ASN A 16 10.575 -8.187 -2.327 1.00 0.00 C ATOM 212 CG ASN A 16 11.964 -7.836 -1.800 1.00 0.00 C ATOM 213 OD1 ASN A 16 12.648 -8.650 -1.188 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.423 -6.618 -2.006 1.00 0.00 N ATOM 0 H ASN A 16 7.710 -8.005 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 16 9.894 -9.278 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.643 -9.072 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.212 -7.373 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.344 -6.354 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.857 -5.939 -2.514 1.00 0.00 H new ATOM 221 N SER A 17 8.536 -6.296 -0.422 1.00 0.00 N ATOM 222 CA SER A 17 8.341 -5.162 0.511 1.00 0.00 C ATOM 223 C SER A 17 6.890 -4.677 0.642 1.00 0.00 C ATOM 224 O SER A 17 6.585 -3.846 1.502 1.00 0.00 O ATOM 225 CB SER A 17 9.279 -3.999 0.181 1.00 0.00 C ATOM 226 OG SER A 17 8.867 -3.259 -0.953 1.00 0.00 O ATOM 0 H SER A 17 7.894 -6.293 -1.215 1.00 0.00 H new ATOM 0 HA SER A 17 8.599 -5.562 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.338 -3.332 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.283 -4.387 0.009 1.00 0.00 H new ATOM 0 HG SER A 17 9.650 -2.857 -1.383 1.00 0.00 H new ATOM 232 N CYS A 18 5.962 -5.262 -0.119 1.00 0.00 N ATOM 233 CA CYS A 18 4.541 -5.258 0.158 1.00 0.00 C ATOM 234 C CYS A 18 4.308 -5.641 1.642 1.00 0.00 C ATOM 235 O CYS A 18 3.755 -4.862 2.410 1.00 0.00 O ATOM 236 CB CYS A 18 3.924 -6.222 -0.877 1.00 0.00 C ATOM 237 SG CYS A 18 4.666 -6.046 -2.536 1.00 0.00 S ATOM 0 H CYS A 18 6.198 -5.767 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 18 4.061 -4.285 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.053 -7.248 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.851 -6.040 -0.942 1.00 0.00 H new ATOM 0 HG CYS A 18 5.587 -6.949 -2.698 1.00 0.00 H new ATOM 242 N VAL A 19 4.897 -6.764 2.058 1.00 0.00 N ATOM 243 CA VAL A 19 4.986 -7.254 3.453 1.00 0.00 C ATOM 244 C VAL A 19 5.413 -6.175 4.474 1.00 0.00 C ATOM 245 O VAL A 19 4.740 -5.977 5.487 1.00 0.00 O ATOM 246 CB VAL A 19 5.922 -8.487 3.567 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.220 -9.743 3.025 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.268 -8.325 2.825 1.00 0.00 C ATOM 0 H VAL A 19 5.353 -7.398 1.401 1.00 0.00 H new ATOM 0 HA VAL A 19 3.968 -7.545 3.711 1.00 0.00 H new ATOM 0 HB VAL A 19 6.143 -8.584 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.889 -10.599 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.314 -9.930 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.959 -9.591 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.865 -9.228 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.081 -8.160 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.809 -7.472 3.235 1.00 0.00 H new ATOM 258 N TRP A 20 6.485 -5.423 4.196 1.00 0.00 N ATOM 259 CA TRP A 20 6.984 -4.355 5.074 1.00 0.00 C ATOM 260 C TRP A 20 6.000 -3.176 5.188 1.00 0.00 C ATOM 261 O TRP A 20 5.896 -2.571 6.258 1.00 0.00 O ATOM 262 CB TRP A 20 8.361 -3.914 4.560 1.00 0.00 C ATOM 263 CG TRP A 20 8.955 -2.703 5.210 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.845 -2.706 6.227 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.759 -1.297 4.860 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.206 -1.409 6.536 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.579 -0.500 5.713 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.983 -0.615 3.895 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.640 0.897 5.603 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.021 0.788 3.788 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.854 1.543 4.634 1.00 0.00 C ATOM 0 H TRP A 20 7.037 -5.539 3.346 1.00 0.00 H new ATOM 0 HA TRP A 20 7.080 -4.741 6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.055 -4.745 4.686 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.282 -3.724 3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.218 -3.590 6.723 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.856 -1.156 7.281 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.350 -1.181 3.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.283 1.469 6.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.408 1.288 3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.889 2.618 4.539 1.00 0.00 H new ATOM 282 N THR A 21 5.228 -2.905 4.123 1.00 0.00 N ATOM 283 CA THR A 21 4.143 -1.904 4.106 1.00 0.00 C ATOM 284 C THR A 21 3.157 -2.189 5.225 1.00 0.00 C ATOM 285 O THR A 21 2.938 -1.316 6.056 1.00 0.00 O ATOM 286 CB THR A 21 3.403 -1.856 2.761 1.00 0.00 C ATOM 287 OG1 THR A 21 4.356 -1.881 1.717 1.00 0.00 O ATOM 288 CG2 THR A 21 2.545 -0.598 2.619 1.00 0.00 C ATOM 0 H THR A 21 5.341 -3.385 3.230 1.00 0.00 H new ATOM 0 HA THR A 21 4.606 -0.929 4.255 1.00 0.00 H new ATOM 0 HB THR A 21 2.739 -2.719 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.620 -2.808 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.041 -0.608 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.801 -0.573 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.180 0.285 2.688 1.00 0.00 H new ATOM 296 N ILE A 22 2.637 -3.420 5.309 1.00 0.00 N ATOM 297 CA ILE A 22 1.682 -3.804 6.364 1.00 0.00 C ATOM 298 C ILE A 22 2.295 -3.569 7.752 1.00 0.00 C ATOM 299 O ILE A 22 1.638 -2.992 8.615 1.00 0.00 O ATOM 300 CB ILE A 22 1.188 -5.269 6.221 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.384 -5.607 4.942 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.226 -5.571 7.391 1.00 0.00 C ATOM 303 CD1 ILE A 22 1.117 -5.604 3.609 1.00 0.00 C ATOM 0 H ILE A 22 2.861 -4.172 4.657 1.00 0.00 H new ATOM 0 HA ILE A 22 0.805 -3.167 6.248 1.00 0.00 H new ATOM 0 HB ILE A 22 2.105 -5.858 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.056 -6.595 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.440 -4.898 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.134 -6.597 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.753 -5.444 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.620 -4.885 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.421 -5.859 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.533 -4.614 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.923 -6.337 3.635 1.00 0.00 H new ATOM 315 N GLU A 23 3.550 -3.970 7.969 1.00 0.00 N ATOM 316 CA GLU A 23 4.232 -3.827 9.263 1.00 0.00 C ATOM 317 C GLU A 23 4.335 -2.360 9.720 1.00 0.00 C ATOM 318 O GLU A 23 4.162 -2.075 10.906 1.00 0.00 O ATOM 319 CB GLU A 23 5.613 -4.504 9.178 1.00 0.00 C ATOM 320 CG GLU A 23 6.249 -4.720 10.559 1.00 0.00 C ATOM 321 CD GLU A 23 7.439 -5.682 10.529 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.279 -5.601 9.600 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.587 -6.487 11.480 1.00 0.00 O ATOM 0 H GLU A 23 4.127 -4.406 7.250 1.00 0.00 H new ATOM 0 HA GLU A 23 3.635 -4.324 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.512 -5.465 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.277 -3.892 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.576 -3.759 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.494 -5.107 11.243 1.00 0.00 H new ATOM 330 N GLN A 24 4.563 -1.429 8.787 1.00 0.00 N ATOM 331 CA GLN A 24 4.502 0.015 9.048 1.00 0.00 C ATOM 332 C GLN A 24 3.066 0.526 9.266 1.00 0.00 C ATOM 333 O GLN A 24 2.837 1.261 10.225 1.00 0.00 O ATOM 334 CB GLN A 24 5.174 0.793 7.900 1.00 0.00 C ATOM 335 CG GLN A 24 6.708 0.679 7.884 1.00 0.00 C ATOM 336 CD GLN A 24 7.360 1.266 9.138 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.937 0.557 9.955 1.00 0.00 O ATOM 338 NE2 GLN A 24 7.260 2.557 9.365 1.00 0.00 N ATOM 0 H GLN A 24 4.797 -1.658 7.821 1.00 0.00 H new ATOM 0 HA GLN A 24 5.044 0.189 9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.783 0.429 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.898 1.845 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.989 -0.370 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.097 1.192 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.782 3.157 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.660 2.958 10.213 1.00 0.00 H new ATOM 347 N GLN A 25 2.108 0.153 8.408 1.00 0.00 N ATOM 348 CA GLN A 25 0.711 0.612 8.483 1.00 0.00 C ATOM 349 C GLN A 25 0.037 0.193 9.796 1.00 0.00 C ATOM 350 O GLN A 25 -0.652 0.982 10.442 1.00 0.00 O ATOM 351 CB GLN A 25 -0.106 -0.027 7.347 1.00 0.00 C ATOM 352 CG GLN A 25 0.185 0.458 5.920 1.00 0.00 C ATOM 353 CD GLN A 25 -0.618 -0.370 4.915 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.686 -1.589 4.976 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.301 0.259 3.990 1.00 0.00 N ATOM 0 H GLN A 25 2.282 -0.485 7.631 1.00 0.00 H new ATOM 0 HA GLN A 25 0.735 1.699 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.056 -1.104 7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.163 0.142 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.074 1.513 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.250 0.371 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.255 1.276 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.878 -0.268 3.335 1.00 0.00 H new ATOM 364 N ILE A 26 0.196 -1.078 10.164 1.00 0.00 N ATOM 365 CA ILE A 26 -0.405 -1.698 11.348 1.00 0.00 C ATOM 366 C ILE A 26 0.282 -1.173 12.623 1.00 0.00 C ATOM 367 O ILE A 26 -0.394 -0.757 13.572 1.00 0.00 O ATOM 368 CB ILE A 26 -0.363 -3.230 11.123 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.261 -3.677 9.939 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.725 -4.051 12.356 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.770 -3.414 10.069 1.00 0.00 C ATOM 0 H ILE A 26 0.768 -1.730 9.627 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.451 -1.431 11.497 1.00 0.00 H new ATOM 0 HB ILE A 26 0.682 -3.431 10.887 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.907 -3.177 9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.115 -4.747 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.672 -5.113 12.115 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.025 -3.826 13.161 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.737 -3.802 12.675 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.280 -3.774 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.157 -3.938 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.945 -2.344 10.181 1.00 0.00 H new ATOM 383 N GLY A 27 1.614 -1.040 12.603 1.00 0.00 N ATOM 384 CA GLY A 27 2.389 -0.355 13.650 1.00 0.00 C ATOM 385 C GLY A 27 2.033 1.126 13.852 1.00 0.00 C ATOM 386 O GLY A 27 2.406 1.703 14.872 1.00 0.00 O ATOM 0 H GLY A 27 2.194 -1.410 11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.242 -0.881 14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.449 -0.429 13.405 1.00 0.00 H new ATOM 390 N LYS A 28 1.289 1.746 12.926 1.00 0.00 N ATOM 391 CA LYS A 28 0.777 3.120 13.045 1.00 0.00 C ATOM 392 C LYS A 28 -0.652 3.197 13.635 1.00 0.00 C ATOM 393 O LYS A 28 -1.124 4.301 13.921 1.00 0.00 O ATOM 394 CB LYS A 28 0.912 3.798 11.660 1.00 0.00 C ATOM 395 CG LYS A 28 0.648 5.316 11.586 1.00 0.00 C ATOM 396 CD LYS A 28 1.389 6.180 12.619 1.00 0.00 C ATOM 397 CE LYS A 28 2.911 6.020 12.560 1.00 0.00 C ATOM 398 NZ LYS A 28 3.574 6.707 13.691 1.00 0.00 N ATOM 0 H LYS A 28 1.019 1.296 12.051 1.00 0.00 H new ATOM 0 HA LYS A 28 1.375 3.667 13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.921 3.613 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.225 3.302 10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.919 5.664 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.423 5.485 11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.134 7.227 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.041 5.918 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.167 4.961 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.284 6.424 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.604 6.578 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.349 7.722 13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.236 6.304 14.588 1.00 0.00 H new ATOM 412 N VAL A 29 -1.344 2.075 13.879 1.00 0.00 N ATOM 413 CA VAL A 29 -2.730 2.103 14.404 1.00 0.00 C ATOM 414 C VAL A 29 -2.820 2.747 15.801 1.00 0.00 C ATOM 415 O VAL A 29 -3.572 3.706 15.941 1.00 0.00 O ATOM 416 CB VAL A 29 -3.438 0.730 14.349 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.849 0.805 14.955 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.578 0.246 12.895 1.00 0.00 C ATOM 0 H VAL A 29 -0.974 1.137 13.724 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.283 2.749 13.722 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.824 0.036 14.923 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.321 -0.176 14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.781 1.119 15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.447 1.526 14.397 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.079 -0.722 12.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.165 0.967 12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.589 0.150 12.447 1.00 0.00 H new ATOM 428 N ASN A 30 -2.036 2.243 16.771 1.00 0.00 N ATOM 429 CA ASN A 30 -1.773 2.691 18.163 1.00 0.00 C ATOM 430 C ASN A 30 -1.813 1.521 19.172 1.00 0.00 C ATOM 431 O ASN A 30 -1.064 1.532 20.152 1.00 0.00 O ATOM 432 CB ASN A 30 -2.700 3.831 18.632 1.00 0.00 C ATOM 433 CG ASN A 30 -2.462 4.283 20.070 1.00 0.00 C ATOM 434 OD1 ASN A 30 -3.317 4.124 20.936 1.00 0.00 O ATOM 435 ND2 ASN A 30 -1.326 4.881 20.369 1.00 0.00 N ATOM 0 H ASN A 30 -1.498 1.399 16.576 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.760 3.093 18.138 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.569 4.686 17.969 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.736 3.506 18.533 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.158 5.211 21.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.615 5.014 19.650 1.00 0.00 H new ATOM 442 N GLY A 31 -2.691 0.532 18.944 1.00 0.00 N ATOM 443 CA GLY A 31 -2.993 -0.563 19.881 1.00 0.00 C ATOM 444 C GLY A 31 -2.508 -1.952 19.459 1.00 0.00 C ATOM 445 O GLY A 31 -2.734 -2.912 20.198 1.00 0.00 O ATOM 0 H GLY A 31 -3.226 0.470 18.078 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.550 -0.322 20.847 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.072 -0.604 20.027 1.00 0.00 H new ATOM 449 N VAL A 32 -1.861 -2.108 18.300 1.00 0.00 N ATOM 450 CA VAL A 32 -1.359 -3.428 17.866 1.00 0.00 C ATOM 451 C VAL A 32 -0.290 -3.942 18.830 1.00 0.00 C ATOM 452 O VAL A 32 0.603 -3.204 19.249 1.00 0.00 O ATOM 453 CB VAL A 32 -0.838 -3.435 16.416 1.00 0.00 C ATOM 454 CG1 VAL A 32 -0.225 -4.795 16.033 1.00 0.00 C ATOM 455 CG2 VAL A 32 -2.013 -3.085 15.489 1.00 0.00 C ATOM 0 H VAL A 32 -1.671 -1.348 17.646 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.213 -4.105 17.886 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.041 -2.699 16.315 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.130 -4.757 15.003 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.610 -5.017 16.697 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.981 -5.574 16.128 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.672 -3.083 14.454 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.804 -3.825 15.609 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.398 -2.098 15.746 1.00 0.00 H new ATOM 465 N HIS A 33 -0.392 -5.224 19.174 1.00 0.00 N ATOM 466 CA HIS A 33 0.581 -5.929 20.002 1.00 0.00 C ATOM 467 C HIS A 33 1.574 -6.755 19.161 1.00 0.00 C ATOM 468 O HIS A 33 2.764 -6.760 19.477 1.00 0.00 O ATOM 469 CB HIS A 33 -0.187 -6.808 20.995 1.00 0.00 C ATOM 470 CG HIS A 33 -0.748 -6.036 22.163 1.00 0.00 C ATOM 471 ND1 HIS A 33 -1.623 -4.971 22.139 1.00 0.00 N ATOM 472 CD2 HIS A 33 -0.418 -6.250 23.472 1.00 0.00 C ATOM 473 CE1 HIS A 33 -1.808 -4.563 23.406 1.00 0.00 C ATOM 474 NE2 HIS A 33 -1.085 -5.309 24.263 1.00 0.00 N ATOM 0 H HIS A 33 -1.170 -5.813 18.878 1.00 0.00 H new ATOM 0 HA HIS A 33 1.188 -5.202 20.542 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.003 -7.307 20.472 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.477 -7.588 21.369 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.053 -4.565 21.308 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.248 -7.019 23.835 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.451 -3.746 23.698 1.00 0.00 H new ATOM 482 N HIS A 34 1.130 -7.419 18.086 1.00 0.00 N ATOM 483 CA HIS A 34 1.998 -8.217 17.203 1.00 0.00 C ATOM 484 C HIS A 34 1.473 -8.237 15.754 1.00 0.00 C ATOM 485 O HIS A 34 0.271 -8.393 15.535 1.00 0.00 O ATOM 486 CB HIS A 34 2.103 -9.666 17.720 1.00 0.00 C ATOM 487 CG HIS A 34 2.736 -9.823 19.081 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.079 -9.953 19.336 1.00 0.00 N ATOM 489 CD2 HIS A 34 2.099 -9.833 20.292 1.00 0.00 C ATOM 490 CE1 HIS A 34 4.252 -10.009 20.665 1.00 0.00 C ATOM 491 NE2 HIS A 34 3.065 -9.955 21.298 1.00 0.00 N ATOM 0 H HIS A 34 0.151 -7.419 17.800 1.00 0.00 H new ATOM 0 HA HIS A 34 2.982 -7.748 17.209 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.102 -10.096 17.752 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.678 -10.250 17.001 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.033 -9.759 20.446 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.210 -10.087 21.158 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.903 -9.995 22.304 1.00 0.00 H new ATOM 499 N ILE A 35 2.365 -8.146 14.762 1.00 0.00 N ATOM 500 CA ILE A 35 2.066 -8.313 13.328 1.00 0.00 C ATOM 501 C ILE A 35 3.019 -9.328 12.678 1.00 0.00 C ATOM 502 O ILE A 35 4.232 -9.298 12.896 1.00 0.00 O ATOM 503 CB ILE A 35 2.041 -6.934 12.606 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.721 -7.021 11.092 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.279 -6.062 12.883 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.888 -7.281 10.122 1.00 0.00 C ATOM 0 H ILE A 35 3.350 -7.947 14.937 1.00 0.00 H new ATOM 0 HA ILE A 35 1.066 -8.733 13.222 1.00 0.00 H new ATOM 0 HB ILE A 35 1.197 -6.418 13.064 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.986 -7.813 10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.243 -6.087 10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.187 -5.118 12.345 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.353 -5.864 13.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.175 -6.585 12.548 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.511 -7.316 9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.621 -6.479 10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.360 -8.233 10.367 1.00 0.00 H new ATOM 518 N LYS A 36 2.452 -10.229 11.872 1.00 0.00 N ATOM 519 CA LYS A 36 3.149 -11.138 10.944 1.00 0.00 C ATOM 520 C LYS A 36 2.418 -11.152 9.583 1.00 0.00 C ATOM 521 O LYS A 36 1.187 -11.219 9.563 1.00 0.00 O ATOM 522 CB LYS A 36 3.178 -12.549 11.568 1.00 0.00 C ATOM 523 CG LYS A 36 3.977 -13.589 10.761 1.00 0.00 C ATOM 524 CD LYS A 36 3.819 -14.989 11.375 1.00 0.00 C ATOM 525 CE LYS A 36 4.713 -16.006 10.654 1.00 0.00 C ATOM 526 NZ LYS A 36 4.514 -17.381 11.173 1.00 0.00 N ATOM 0 H LYS A 36 1.440 -10.355 11.844 1.00 0.00 H new ATOM 0 HA LYS A 36 4.171 -10.800 10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.603 -12.481 12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.153 -12.904 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.632 -13.598 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.031 -13.311 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.077 -14.958 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.777 -15.304 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.497 -15.986 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.758 -15.720 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.136 -18.039 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.744 -17.406 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.523 -17.664 11.036 1.00 0.00 H new ATOM 540 N VAL A 37 3.138 -11.120 8.458 1.00 0.00 N ATOM 541 CA VAL A 37 2.572 -11.232 7.096 1.00 0.00 C ATOM 542 C VAL A 37 3.474 -12.084 6.201 1.00 0.00 C ATOM 543 O VAL A 37 4.680 -11.867 6.137 1.00 0.00 O ATOM 544 CB VAL A 37 2.272 -9.863 6.434 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.069 -9.190 7.093 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.436 -8.865 6.441 1.00 0.00 C ATOM 0 H VAL A 37 4.152 -11.014 8.461 1.00 0.00 H new ATOM 0 HA VAL A 37 1.609 -11.729 7.209 1.00 0.00 H new ATOM 0 HB VAL A 37 2.072 -10.114 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.879 -8.231 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.192 -9.829 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.276 -9.029 8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.125 -7.940 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.728 -8.654 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.283 -9.290 5.903 1.00 0.00 H new ATOM 556 N SER A 38 2.885 -13.092 5.556 1.00 0.00 N ATOM 557 CA SER A 38 3.607 -14.270 5.058 1.00 0.00 C ATOM 558 C SER A 38 3.531 -14.406 3.523 1.00 0.00 C ATOM 559 O SER A 38 2.515 -14.847 2.975 1.00 0.00 O ATOM 560 CB SER A 38 3.020 -15.523 5.731 1.00 0.00 C ATOM 561 OG SER A 38 2.983 -15.419 7.149 1.00 0.00 O ATOM 0 H SER A 38 1.884 -13.117 5.361 1.00 0.00 H new ATOM 0 HA SER A 38 4.662 -14.155 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.010 -15.692 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.614 -16.393 5.450 1.00 0.00 H new ATOM 0 HG SER A 38 2.601 -16.238 7.527 1.00 0.00 H new ATOM 567 N LEU A 39 4.611 -14.057 2.810 1.00 0.00 N ATOM 568 CA LEU A 39 4.659 -14.036 1.337 1.00 0.00 C ATOM 569 C LEU A 39 4.702 -15.420 0.668 1.00 0.00 C ATOM 570 O LEU A 39 4.291 -15.541 -0.485 1.00 0.00 O ATOM 571 CB LEU A 39 5.832 -13.142 0.884 1.00 0.00 C ATOM 572 CG LEU A 39 7.240 -13.729 1.158 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.843 -14.382 -0.092 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.187 -12.628 1.652 1.00 0.00 C ATOM 0 H LEU A 39 5.490 -13.777 3.245 1.00 0.00 H new ATOM 0 HA LEU A 39 3.712 -13.616 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.734 -12.953 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.751 -12.178 1.387 1.00 0.00 H new ATOM 0 HG LEU A 39 7.123 -14.496 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.830 -14.780 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.196 -15.192 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.933 -13.638 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.173 -13.054 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.267 -11.850 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.795 -12.197 2.574 1.00 0.00 H new ATOM 586 N GLU A 40 5.172 -16.456 1.366 1.00 0.00 N ATOM 587 CA GLU A 40 5.156 -17.847 0.893 1.00 0.00 C ATOM 588 C GLU A 40 3.798 -18.519 1.198 1.00 0.00 C ATOM 589 O GLU A 40 3.489 -19.571 0.646 1.00 0.00 O ATOM 590 CB GLU A 40 6.310 -18.612 1.576 1.00 0.00 C ATOM 591 CG GLU A 40 6.611 -20.037 1.070 1.00 0.00 C ATOM 592 CD GLU A 40 7.534 -20.072 -0.147 1.00 0.00 C ATOM 593 OE1 GLU A 40 8.772 -20.092 0.055 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.040 -20.133 -1.299 1.00 0.00 O ATOM 0 H GLU A 40 5.583 -16.352 2.294 1.00 0.00 H new ATOM 0 HA GLU A 40 5.291 -17.865 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.218 -18.018 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.091 -18.672 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.066 -20.612 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.672 -20.530 0.818 1.00 0.00 H new ATOM 601 N GLU A 41 2.987 -17.942 2.096 1.00 0.00 N ATOM 602 CA GLU A 41 1.813 -18.605 2.686 1.00 0.00 C ATOM 603 C GLU A 41 0.492 -17.828 2.494 1.00 0.00 C ATOM 604 O GLU A 41 -0.552 -18.270 2.975 1.00 0.00 O ATOM 605 CB GLU A 41 2.077 -18.900 4.176 1.00 0.00 C ATOM 606 CG GLU A 41 3.386 -19.671 4.436 1.00 0.00 C ATOM 607 CD GLU A 41 3.482 -20.179 5.874 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.572 -20.924 6.308 1.00 0.00 O ATOM 609 OE2 GLU A 41 4.456 -19.836 6.589 1.00 0.00 O ATOM 0 H GLU A 41 3.128 -16.991 2.438 1.00 0.00 H new ATOM 0 HA GLU A 41 1.673 -19.541 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.107 -17.958 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.242 -19.475 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.451 -20.515 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.236 -19.022 4.224 1.00 0.00 H new ATOM 616 N LYS A 42 0.508 -16.677 1.804 1.00 0.00 N ATOM 617 CA LYS A 42 -0.682 -15.917 1.366 1.00 0.00 C ATOM 618 C LYS A 42 -1.654 -15.579 2.527 1.00 0.00 C ATOM 619 O LYS A 42 -2.881 -15.655 2.393 1.00 0.00 O ATOM 620 CB LYS A 42 -1.367 -16.627 0.175 1.00 0.00 C ATOM 621 CG LYS A 42 -0.674 -16.442 -1.184 1.00 0.00 C ATOM 622 CD LYS A 42 0.700 -17.113 -1.320 1.00 0.00 C ATOM 623 CE LYS A 42 1.171 -17.107 -2.779 1.00 0.00 C ATOM 624 NZ LYS A 42 0.403 -18.060 -3.620 1.00 0.00 N ATOM 0 H LYS A 42 1.381 -16.230 1.523 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.341 -14.944 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.425 -17.693 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.391 -16.262 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.329 -16.833 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.558 -15.374 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.427 -16.592 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.646 -18.139 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.070 -16.102 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.230 -17.362 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.897 -18.201 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.321 -18.971 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.547 -17.677 -3.800 1.00 0.00 H new ATOM 638 N ASN A 43 -1.107 -15.222 3.693 1.00 0.00 N ATOM 639 CA ASN A 43 -1.881 -14.881 4.889 1.00 0.00 C ATOM 640 C ASN A 43 -1.132 -13.942 5.850 1.00 0.00 C ATOM 641 O ASN A 43 0.068 -13.702 5.711 1.00 0.00 O ATOM 642 CB ASN A 43 -2.394 -16.152 5.599 1.00 0.00 C ATOM 643 CG ASN A 43 -1.321 -16.869 6.409 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.089 -16.562 7.572 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.628 -17.823 5.827 1.00 0.00 N ATOM 0 H ASN A 43 -0.099 -15.161 3.834 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.748 -14.315 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.218 -15.882 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.795 -16.839 4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.105 -18.309 6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.823 -18.077 4.859 1.00 0.00 H new ATOM 652 N ALA A 44 -1.875 -13.407 6.815 1.00 0.00 N ATOM 653 CA ALA A 44 -1.473 -12.384 7.768 1.00 0.00 C ATOM 654 C ALA A 44 -2.009 -12.749 9.163 1.00 0.00 C ATOM 655 O ALA A 44 -3.211 -12.983 9.299 1.00 0.00 O ATOM 656 CB ALA A 44 -2.079 -11.071 7.247 1.00 0.00 C ATOM 0 H ALA A 44 -2.841 -13.700 6.959 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.391 -12.292 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.814 -10.256 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.689 -10.860 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.164 -11.165 7.200 1.00 0.00 H new ATOM 662 N THR A 45 -1.144 -12.795 10.185 1.00 0.00 N ATOM 663 CA THR A 45 -1.488 -13.172 11.570 1.00 0.00 C ATOM 664 C THR A 45 -1.163 -12.005 12.489 1.00 0.00 C ATOM 665 O THR A 45 -0.014 -11.575 12.571 1.00 0.00 O ATOM 666 CB THR A 45 -0.724 -14.426 12.013 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.928 -15.456 11.075 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.216 -14.935 13.368 1.00 0.00 C ATOM 0 H THR A 45 -0.157 -12.565 10.072 1.00 0.00 H new ATOM 0 HA THR A 45 -2.552 -13.403 11.621 1.00 0.00 H new ATOM 0 HB THR A 45 0.329 -14.156 12.088 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.439 -16.257 11.357 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.652 -15.824 13.649 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.072 -14.161 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.275 -15.184 13.301 1.00 0.00 H new ATOM 676 N ILE A 46 -2.163 -11.466 13.180 1.00 0.00 N ATOM 677 CA ILE A 46 -2.062 -10.166 13.858 1.00 0.00 C ATOM 678 C ILE A 46 -2.797 -10.196 15.206 1.00 0.00 C ATOM 679 O ILE A 46 -3.860 -10.813 15.343 1.00 0.00 O ATOM 680 CB ILE A 46 -2.511 -9.070 12.851 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.016 -7.632 13.116 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.020 -9.095 12.567 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.667 -6.842 14.254 1.00 0.00 C ATOM 0 H ILE A 46 -3.072 -11.916 13.289 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.038 -9.922 14.141 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.980 -9.369 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.945 -7.679 13.314 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.146 -7.060 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.270 -8.306 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.295 -10.062 12.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.568 -8.934 13.496 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.214 -5.852 14.316 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.735 -6.741 14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.516 -7.369 15.196 1.00 0.00 H new ATOM 695 N ILE A 47 -2.191 -9.569 16.216 1.00 0.00 N ATOM 696 CA ILE A 47 -2.757 -9.397 17.566 1.00 0.00 C ATOM 697 C ILE A 47 -3.029 -7.915 17.850 1.00 0.00 C ATOM 698 O ILE A 47 -2.089 -7.123 17.960 1.00 0.00 O ATOM 699 CB ILE A 47 -1.847 -10.008 18.658 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.489 -11.478 18.341 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.553 -9.897 20.020 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.820 -12.255 19.488 1.00 0.00 C ATOM 0 H ILE A 47 -1.265 -9.152 16.120 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.703 -9.938 17.596 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.910 -9.452 18.687 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.400 -12.002 18.052 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.824 -11.494 17.477 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.918 -10.326 20.795 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.744 -8.848 20.246 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.498 -10.439 19.985 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.610 -13.274 19.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.112 -11.763 19.765 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.488 -12.279 20.349 1.00 0.00 H new ATOM 714 N TYR A 48 -4.305 -7.563 18.007 1.00 0.00 N ATOM 715 CA TYR A 48 -4.792 -6.204 18.273 1.00 0.00 C ATOM 716 C TYR A 48 -5.327 -6.033 19.712 1.00 0.00 C ATOM 717 O TYR A 48 -5.845 -6.982 20.301 1.00 0.00 O ATOM 718 CB TYR A 48 -5.875 -5.852 17.229 1.00 0.00 C ATOM 719 CG TYR A 48 -7.167 -6.658 17.290 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.276 -7.903 16.636 1.00 0.00 C ATOM 721 CD2 TYR A 48 -8.277 -6.145 17.986 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.477 -8.643 16.699 1.00 0.00 C ATOM 723 CE2 TYR A 48 -9.474 -6.878 18.056 1.00 0.00 C ATOM 724 CZ TYR A 48 -9.582 -8.133 17.418 1.00 0.00 C ATOM 725 OH TYR A 48 -10.746 -8.836 17.510 1.00 0.00 O ATOM 0 H TYR A 48 -5.062 -8.244 17.950 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.952 -5.515 18.185 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.126 -4.797 17.340 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.443 -5.974 16.236 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.434 -8.293 16.083 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.209 -5.182 18.470 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.551 -9.597 16.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.317 -6.479 18.601 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.393 -8.329 18.044 1.00 0.00 H new ATOM 735 N ASP A 49 -5.249 -4.814 20.264 1.00 0.00 N ATOM 736 CA ASP A 49 -5.998 -4.426 21.470 1.00 0.00 C ATOM 737 C ASP A 49 -7.465 -4.119 21.098 1.00 0.00 C ATOM 738 O ASP A 49 -7.697 -3.262 20.236 1.00 0.00 O ATOM 739 CB ASP A 49 -5.345 -3.202 22.130 1.00 0.00 C ATOM 740 CG ASP A 49 -5.961 -2.850 23.489 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.169 -2.529 23.566 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.209 -2.853 24.490 1.00 0.00 O ATOM 0 H ASP A 49 -4.665 -4.068 19.887 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.980 -5.252 22.181 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.279 -3.392 22.259 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.437 -2.345 21.463 1.00 0.00 H new ATOM 747 N PRO A 50 -8.458 -4.777 21.725 1.00 0.00 N ATOM 748 CA PRO A 50 -9.850 -4.697 21.294 1.00 0.00 C ATOM 749 C PRO A 50 -10.510 -3.349 21.612 1.00 0.00 C ATOM 750 O PRO A 50 -11.485 -2.979 20.958 1.00 0.00 O ATOM 751 CB PRO A 50 -10.552 -5.852 22.012 1.00 0.00 C ATOM 752 CG PRO A 50 -9.758 -5.973 23.313 1.00 0.00 C ATOM 753 CD PRO A 50 -8.329 -5.698 22.848 1.00 0.00 C ATOM 0 HA PRO A 50 -9.923 -4.774 20.209 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.603 -5.633 22.198 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.516 -6.772 21.429 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.089 -5.251 24.060 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.857 -6.962 23.760 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.733 -5.260 23.649 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.830 -6.619 22.546 1.00 0.00 H new ATOM 761 N LYS A 51 -9.982 -2.583 22.573 1.00 0.00 N ATOM 762 CA LYS A 51 -10.535 -1.276 22.929 1.00 0.00 C ATOM 763 C LYS A 51 -10.229 -0.251 21.830 1.00 0.00 C ATOM 764 O LYS A 51 -11.122 0.479 21.387 1.00 0.00 O ATOM 765 CB LYS A 51 -9.962 -0.813 24.280 1.00 0.00 C ATOM 766 CG LYS A 51 -10.132 -1.841 25.413 1.00 0.00 C ATOM 767 CD LYS A 51 -9.670 -1.301 26.776 1.00 0.00 C ATOM 768 CE LYS A 51 -8.240 -0.740 26.775 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.234 -1.730 26.320 1.00 0.00 N ATOM 0 H LYS A 51 -9.165 -2.851 23.121 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.618 -1.363 23.022 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.901 -0.593 24.158 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.449 0.118 24.571 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.180 -2.134 25.479 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.565 -2.740 25.171 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.356 -0.517 27.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.735 -2.101 27.513 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.199 0.136 26.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.985 -0.406 27.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.278 -1.354 26.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.353 -2.615 26.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.365 -1.916 25.305 1.00 0.00 H new ATOM 783 N LEU A 52 -8.979 -0.229 21.350 1.00 0.00 N ATOM 784 CA LEU A 52 -8.451 0.762 20.405 1.00 0.00 C ATOM 785 C LEU A 52 -8.869 0.520 18.944 1.00 0.00 C ATOM 786 O LEU A 52 -8.846 1.472 18.158 1.00 0.00 O ATOM 787 CB LEU A 52 -6.907 0.771 20.518 1.00 0.00 C ATOM 788 CG LEU A 52 -6.287 1.601 21.665 1.00 0.00 C ATOM 789 CD1 LEU A 52 -6.614 3.092 21.510 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.699 1.129 23.065 1.00 0.00 C ATOM 0 H LEU A 52 -8.284 -0.925 21.619 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.878 1.727 20.677 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.570 -0.260 20.627 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.502 1.141 19.576 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.211 1.446 21.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.165 3.650 22.331 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.215 3.455 20.563 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.695 3.231 21.525 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.224 1.760 23.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.782 1.196 23.167 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.384 0.095 23.208 1.00 0.00 H new ATOM 802 N GLN A 53 -9.217 -0.718 18.574 1.00 0.00 N ATOM 803 CA GLN A 53 -9.255 -1.187 17.183 1.00 0.00 C ATOM 804 C GLN A 53 -9.977 -2.540 17.032 1.00 0.00 C ATOM 805 O GLN A 53 -10.341 -3.179 18.022 1.00 0.00 O ATOM 806 CB GLN A 53 -7.827 -1.212 16.609 1.00 0.00 C ATOM 807 CG GLN A 53 -6.835 -1.981 17.488 1.00 0.00 C ATOM 808 CD GLN A 53 -5.465 -2.025 16.841 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.533 -1.367 17.271 1.00 0.00 O ATOM 810 NE2 GLN A 53 -5.298 -2.751 15.758 1.00 0.00 N ATOM 0 H GLN A 53 -9.486 -1.437 19.246 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.849 -0.483 16.600 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.849 -1.664 15.617 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.474 -0.188 16.485 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.765 -1.506 18.467 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.198 -2.996 17.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.072 -3.305 15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.394 -2.761 15.285 1.00 0.00 H new ATOM 819 N THR A 54 -10.200 -2.961 15.781 1.00 0.00 N ATOM 820 CA THR A 54 -10.993 -4.136 15.377 1.00 0.00 C ATOM 821 C THR A 54 -10.334 -4.870 14.193 1.00 0.00 C ATOM 822 O THR A 54 -9.412 -4.322 13.582 1.00 0.00 O ATOM 823 CB THR A 54 -12.405 -3.681 14.958 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.294 -2.642 14.017 1.00 0.00 O ATOM 825 CG2 THR A 54 -13.273 -3.225 16.128 1.00 0.00 C ATOM 0 H THR A 54 -9.812 -2.466 14.977 1.00 0.00 H new ATOM 0 HA THR A 54 -11.048 -4.818 16.225 1.00 0.00 H new ATOM 0 HB THR A 54 -12.903 -4.549 14.527 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.176 -2.243 13.865 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.252 -2.920 15.758 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.393 -4.047 16.834 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.795 -2.383 16.629 1.00 0.00 H new ATOM 833 N PRO A 55 -10.827 -6.068 13.803 1.00 0.00 N ATOM 834 CA PRO A 55 -10.514 -6.689 12.511 1.00 0.00 C ATOM 835 C PRO A 55 -10.796 -5.762 11.320 1.00 0.00 C ATOM 836 O PRO A 55 -10.068 -5.785 10.328 1.00 0.00 O ATOM 837 CB PRO A 55 -11.374 -7.955 12.443 1.00 0.00 C ATOM 838 CG PRO A 55 -11.630 -8.298 13.906 1.00 0.00 C ATOM 839 CD PRO A 55 -11.729 -6.925 14.561 1.00 0.00 C ATOM 0 HA PRO A 55 -9.449 -6.912 12.444 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.305 -7.778 11.905 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.856 -8.763 11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.547 -8.874 14.032 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.820 -8.891 14.330 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.751 -6.547 14.528 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.439 -6.969 15.611 1.00 0.00 H new ATOM 847 N LYS A 56 -11.809 -4.892 11.432 1.00 0.00 N ATOM 848 CA LYS A 56 -12.082 -3.858 10.430 1.00 0.00 C ATOM 849 C LYS A 56 -10.894 -2.896 10.260 1.00 0.00 C ATOM 850 O LYS A 56 -10.449 -2.698 9.128 1.00 0.00 O ATOM 851 CB LYS A 56 -13.385 -3.123 10.795 1.00 0.00 C ATOM 852 CG LYS A 56 -13.897 -2.154 9.717 1.00 0.00 C ATOM 853 CD LYS A 56 -14.161 -2.859 8.381 1.00 0.00 C ATOM 854 CE LYS A 56 -15.094 -2.021 7.507 1.00 0.00 C ATOM 855 NZ LYS A 56 -15.529 -2.780 6.317 1.00 0.00 N ATOM 0 H LYS A 56 -12.459 -4.887 12.218 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.217 -4.334 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.160 -3.863 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.226 -2.567 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.816 -1.681 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.166 -1.360 9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.219 -3.027 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.605 -3.838 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.965 -1.717 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.584 -1.109 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.161 -2.189 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.697 -3.049 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.035 -3.637 6.618 1.00 0.00 H new ATOM 869 N THR A 57 -10.315 -2.382 11.359 1.00 0.00 N ATOM 870 CA THR A 57 -9.116 -1.514 11.352 1.00 0.00 C ATOM 871 C THR A 57 -7.956 -2.135 10.567 1.00 0.00 C ATOM 872 O THR A 57 -7.240 -1.416 9.875 1.00 0.00 O ATOM 873 CB THR A 57 -8.653 -1.218 12.789 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.742 -0.906 13.624 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.667 -0.053 12.860 1.00 0.00 C ATOM 0 H THR A 57 -10.672 -2.560 12.298 1.00 0.00 H new ATOM 0 HA THR A 57 -9.404 -0.586 10.857 1.00 0.00 H new ATOM 0 HB THR A 57 -8.159 -2.129 13.127 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.410 -0.571 14.483 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.373 0.112 13.897 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.784 -0.287 12.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.139 0.848 12.469 1.00 0.00 H new ATOM 883 N LEU A 58 -7.786 -3.462 10.651 1.00 0.00 N ATOM 884 CA LEU A 58 -6.749 -4.218 9.942 1.00 0.00 C ATOM 885 C LEU A 58 -7.042 -4.328 8.437 1.00 0.00 C ATOM 886 O LEU A 58 -6.154 -4.088 7.626 1.00 0.00 O ATOM 887 CB LEU A 58 -6.620 -5.608 10.602 1.00 0.00 C ATOM 888 CG LEU A 58 -5.861 -5.715 11.949 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.712 -4.440 12.790 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.543 -6.773 12.830 1.00 0.00 C ATOM 0 H LEU A 58 -8.383 -4.053 11.230 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.801 -3.687 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.626 -5.998 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.127 -6.270 9.890 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.847 -5.971 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.160 -4.668 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.170 -3.687 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.699 -4.058 13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.013 -6.853 13.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.577 -6.481 13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.524 -7.737 12.322 1.00 0.00 H new ATOM 902 N GLN A 59 -8.278 -4.654 8.048 1.00 0.00 N ATOM 903 CA GLN A 59 -8.678 -4.744 6.634 1.00 0.00 C ATOM 904 C GLN A 59 -8.565 -3.386 5.914 1.00 0.00 C ATOM 905 O GLN A 59 -8.110 -3.324 4.773 1.00 0.00 O ATOM 906 CB GLN A 59 -10.130 -5.249 6.549 1.00 0.00 C ATOM 907 CG GLN A 59 -10.257 -6.747 6.854 1.00 0.00 C ATOM 908 CD GLN A 59 -9.735 -7.599 5.694 1.00 0.00 C ATOM 909 OE1 GLN A 59 -8.543 -7.723 5.475 1.00 0.00 O ATOM 910 NE2 GLN A 59 -10.592 -8.165 4.877 1.00 0.00 N ATOM 0 H GLN A 59 -9.032 -4.864 8.702 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.001 -5.439 6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.747 -4.687 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.521 -5.052 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.700 -6.984 7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.301 -6.993 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.594 -8.072 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.256 -8.698 4.075 1.00 0.00 H new ATOM 919 N GLU A 60 -8.937 -2.294 6.591 1.00 0.00 N ATOM 920 CA GLU A 60 -8.922 -0.916 6.069 1.00 0.00 C ATOM 921 C GLU A 60 -7.509 -0.396 5.753 1.00 0.00 C ATOM 922 O GLU A 60 -7.343 0.551 4.977 1.00 0.00 O ATOM 923 CB GLU A 60 -9.563 0.004 7.116 1.00 0.00 C ATOM 924 CG GLU A 60 -11.060 -0.267 7.301 1.00 0.00 C ATOM 925 CD GLU A 60 -11.969 0.504 6.340 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.476 1.082 5.345 1.00 0.00 O ATOM 927 OE2 GLU A 60 -13.194 0.545 6.589 1.00 0.00 O ATOM 0 H GLU A 60 -9.270 -2.344 7.554 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.476 -0.919 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.053 -0.127 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.420 1.043 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.241 -1.334 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.338 -0.015 8.324 1.00 0.00 H new ATOM 934 N ALA A 61 -6.495 -1.009 6.364 1.00 0.00 N ATOM 935 CA ALA A 61 -5.079 -0.816 6.020 1.00 0.00 C ATOM 936 C ALA A 61 -4.700 -1.449 4.665 1.00 0.00 C ATOM 937 O ALA A 61 -3.961 -0.851 3.886 1.00 0.00 O ATOM 938 CB ALA A 61 -4.206 -1.354 7.160 1.00 0.00 C ATOM 0 H ALA A 61 -6.634 -1.669 7.129 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.901 0.253 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.154 -1.214 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.436 -0.816 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.406 -2.416 7.302 1.00 0.00 H new ATOM 944 N ILE A 62 -5.243 -2.625 4.335 1.00 0.00 N ATOM 945 CA ILE A 62 -5.046 -3.261 3.016 1.00 0.00 C ATOM 946 C ILE A 62 -5.791 -2.477 1.926 1.00 0.00 C ATOM 947 O ILE A 62 -5.354 -2.406 0.780 1.00 0.00 O ATOM 948 CB ILE A 62 -5.497 -4.745 3.048 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.049 -5.529 4.306 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.999 -5.460 1.779 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.552 -5.449 4.634 1.00 0.00 C ATOM 0 H ILE A 62 -5.831 -3.167 4.968 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.982 -3.243 2.778 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.586 -4.728 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.612 -5.159 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.319 -6.577 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.316 -6.503 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.417 -4.972 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.911 -5.412 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.345 -6.032 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.975 -5.849 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.272 -4.409 4.803 1.00 0.00 H new ATOM 963 N ASP A 63 -6.915 -1.858 2.281 1.00 0.00 N ATOM 964 CA ASP A 63 -7.642 -0.906 1.439 1.00 0.00 C ATOM 965 C ASP A 63 -6.957 0.476 1.294 1.00 0.00 C ATOM 966 O ASP A 63 -7.412 1.298 0.497 1.00 0.00 O ATOM 967 CB ASP A 63 -9.070 -0.788 1.990 1.00 0.00 C ATOM 968 CG ASP A 63 -9.978 0.074 1.112 1.00 0.00 C ATOM 969 OD1 ASP A 63 -10.412 -0.410 0.038 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.283 1.214 1.538 1.00 0.00 O ATOM 0 H ASP A 63 -7.359 -2.008 3.187 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.652 -1.292 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.502 -1.785 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.033 -0.363 2.993 1.00 0.00 H new ATOM 975 N ASP A 64 -5.869 0.768 2.018 1.00 0.00 N ATOM 976 CA ASP A 64 -5.117 2.022 1.838 1.00 0.00 C ATOM 977 C ASP A 64 -4.392 2.041 0.483 1.00 0.00 C ATOM 978 O ASP A 64 -4.357 3.074 -0.189 1.00 0.00 O ATOM 979 CB ASP A 64 -4.116 2.229 2.993 1.00 0.00 C ATOM 980 CG ASP A 64 -4.016 3.695 3.429 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.063 4.266 3.814 1.00 0.00 O ATOM 982 OD2 ASP A 64 -2.898 4.248 3.506 1.00 0.00 O ATOM 0 H ASP A 64 -5.487 0.153 2.736 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.831 2.846 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.419 1.620 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.132 1.878 2.684 1.00 0.00 H new ATOM 987 N MET A 65 -3.869 0.880 0.065 1.00 0.00 N ATOM 988 CA MET A 65 -3.148 0.683 -1.195 1.00 0.00 C ATOM 989 C MET A 65 -3.966 -0.135 -2.218 1.00 0.00 C ATOM 990 O MET A 65 -4.969 0.378 -2.729 1.00 0.00 O ATOM 991 CB MET A 65 -1.681 0.252 -0.948 1.00 0.00 C ATOM 992 CG MET A 65 -1.387 -0.672 0.245 1.00 0.00 C ATOM 993 SD MET A 65 -2.138 -2.313 0.215 1.00 0.00 S ATOM 994 CE MET A 65 -1.380 -2.987 1.716 1.00 0.00 C ATOM 0 H MET A 65 -3.940 0.024 0.616 1.00 0.00 H new ATOM 0 HA MET A 65 -3.042 1.641 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.323 -0.245 -1.850 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.085 1.156 -0.824 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.307 -0.795 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.714 -0.166 1.154 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.726 -4.009 1.871 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.295 -2.983 1.609 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.662 -2.375 2.573 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.526 -1.341 -2.601 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.120 -2.120 -3.700 1.00 0.00 C ATOM 1006 C GLY A 66 -3.862 -3.622 -3.622 1.00 0.00 C ATOM 1007 O GLY A 66 -3.079 -4.142 -4.417 1.00 0.00 O ATOM 0 H GLY A 66 -2.739 -1.810 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.196 -1.949 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.730 -1.746 -4.646 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.513 -4.299 -2.671 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.410 -5.748 -2.430 1.00 0.00 C ATOM 1013 C PHE A 67 -5.771 -6.380 -2.049 1.00 0.00 C ATOM 1014 O PHE A 67 -6.744 -5.684 -1.744 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.337 -6.003 -1.349 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.908 -6.108 -1.860 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.145 -4.948 -2.103 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.320 -7.373 -2.056 1.00 0.00 C ATOM 1019 CE1 PHE A 67 0.185 -5.047 -2.544 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.016 -7.473 -2.486 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.767 -6.311 -2.732 1.00 0.00 C ATOM 0 H PHE A 67 -5.151 -3.839 -2.022 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.109 -6.235 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.385 -5.197 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.586 -6.925 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.587 -3.975 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.896 -8.268 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.759 -4.153 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.465 -8.445 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.791 -6.390 -3.065 1.00 0.00 H new ATOM 1031 N ASP A 68 -5.831 -7.716 -2.057 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.005 -8.535 -1.723 1.00 0.00 C ATOM 1033 C ASP A 68 -6.787 -9.298 -0.405 1.00 0.00 C ATOM 1034 O ASP A 68 -5.735 -9.912 -0.208 1.00 0.00 O ATOM 1035 CB ASP A 68 -7.285 -9.510 -2.882 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.550 -10.347 -2.663 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -9.608 -9.753 -2.337 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -8.489 -11.590 -2.821 1.00 0.00 O ATOM 0 H ASP A 68 -5.023 -8.285 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.868 -7.884 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.385 -8.946 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.431 -10.176 -3.004 1.00 0.00 H new ATOM 1043 N ALA A 69 -7.783 -9.263 0.490 1.00 0.00 N ATOM 1044 CA ALA A 69 -7.686 -9.786 1.854 1.00 0.00 C ATOM 1045 C ALA A 69 -9.053 -10.169 2.444 1.00 0.00 C ATOM 1046 O ALA A 69 -10.026 -9.435 2.265 1.00 0.00 O ATOM 1047 CB ALA A 69 -6.994 -8.736 2.729 1.00 0.00 C ATOM 0 H ALA A 69 -8.697 -8.861 0.279 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.102 -10.706 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.913 -9.109 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.997 -8.535 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.579 -7.816 2.724 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.127 -11.279 3.184 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.369 -11.804 3.787 1.00 0.00 C ATOM 1055 C VAL A 70 -10.070 -12.322 5.187 1.00 0.00 C ATOM 1056 O VAL A 70 -9.098 -13.049 5.377 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.973 -12.964 2.957 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.373 -13.354 3.458 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.089 -12.585 1.471 1.00 0.00 C ATOM 0 H VAL A 70 -8.310 -11.855 3.389 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.090 -10.987 3.814 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.294 -13.808 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.762 -14.171 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.311 -13.673 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.039 -12.495 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.516 -13.420 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.733 -11.712 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.100 -12.354 1.076 1.00 0.00 H new ATOM 1069 N ILE A 71 -10.891 -11.973 6.177 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.711 -12.471 7.552 1.00 0.00 C ATOM 1071 C ILE A 71 -11.043 -13.977 7.621 1.00 0.00 C ATOM 1072 O ILE A 71 -11.989 -14.435 6.973 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.540 -11.610 8.541 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -10.980 -10.169 8.618 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.565 -12.228 9.953 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.008 -9.136 9.088 1.00 0.00 C ATOM 0 H ILE A 71 -11.688 -11.348 6.059 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.668 -12.372 7.852 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.561 -11.581 8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.127 -10.155 9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.609 -9.879 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.155 -11.596 10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.010 -13.222 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.547 -12.304 10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.545 -8.150 9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.851 -9.121 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.361 -9.401 10.085 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.296 -14.763 8.401 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.610 -16.184 8.619 1.00 0.00 C ATOM 1090 C HIS A 72 -10.270 -16.651 10.057 1.00 0.00 C ATOM 1091 O HIS A 72 -9.757 -15.868 10.865 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.990 -17.023 7.476 1.00 0.00 C ATOM 1093 CG HIS A 72 -8.808 -17.880 7.850 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -8.793 -19.256 7.920 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -7.553 -17.444 8.169 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -7.559 -19.640 8.283 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -6.760 -18.568 8.441 1.00 0.00 N ATOM 0 H HIS A 72 -9.465 -14.440 8.896 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.687 -16.342 8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.766 -17.669 7.064 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.684 -16.345 6.679 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.581 -19.874 7.729 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.229 -16.414 8.205 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.251 -20.665 8.428 1.00 0.00 H new ATOM 1105 N ASN A 73 -10.610 -17.895 10.426 1.00 0.00 N ATOM 1106 CA ASN A 73 -10.429 -18.435 11.787 1.00 0.00 C ATOM 1107 C ASN A 73 -9.146 -19.266 11.934 1.00 0.00 C ATOM 1108 O ASN A 73 -8.184 -18.747 12.543 1.00 0.00 O ATOM 1109 CB ASN A 73 -11.706 -19.190 12.227 1.00 0.00 C ATOM 1110 CG ASN A 73 -11.759 -19.373 13.732 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -12.348 -18.574 14.447 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -11.107 -20.365 14.287 1.00 0.00 N ATOM 1113 OXT ASN A 73 -9.109 -20.423 11.455 1.00 0.00 O ATOM 0 H ASN A 73 -11.025 -18.566 9.780 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.287 -17.599 12.471 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.587 -18.639 11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.738 -20.165 11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.095 -20.463 15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.611 -21.039 13.704 1.00 0.00 H new ATOM 1121 N MET B 74 -2.004 17.528 -22.346 1.00 0.00 N ATOM 1122 CA MET B 74 -1.724 17.611 -20.891 1.00 0.00 C ATOM 1123 C MET B 74 -0.243 17.359 -20.611 1.00 0.00 C ATOM 1124 O MET B 74 0.362 16.560 -21.330 1.00 0.00 O ATOM 1125 CB MET B 74 -2.577 16.647 -20.052 1.00 0.00 C ATOM 1126 CG MET B 74 -4.050 17.053 -20.026 1.00 0.00 C ATOM 1127 SD MET B 74 -5.005 16.196 -18.752 1.00 0.00 S ATOM 1128 CE MET B 74 -6.650 16.802 -19.192 1.00 0.00 C ATOM 0 HA MET B 74 -1.993 18.624 -20.591 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.487 15.639 -20.456 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.192 16.617 -19.033 1.00 0.00 H new ATOM 0 HG2 MET B 74 -4.121 18.128 -19.862 1.00 0.00 H new ATOM 0 HG3 MET B 74 -4.493 16.850 -21.001 1.00 0.00 H new ATOM 0 HE1 MET B 74 -7.373 16.466 -18.448 1.00 0.00 H new ATOM 0 HE2 MET B 74 -6.640 17.892 -19.222 1.00 0.00 H new ATOM 0 HE3 MET B 74 -6.930 16.415 -20.171 1.00 0.00 H new ATOM 1140 N PRO B 75 0.343 18.006 -19.582 1.00 0.00 N ATOM 1141 CA PRO B 75 1.759 17.884 -19.242 1.00 0.00 C ATOM 1142 C PRO B 75 2.062 16.554 -18.545 1.00 0.00 C ATOM 1143 O PRO B 75 1.199 15.975 -17.887 1.00 0.00 O ATOM 1144 CB PRO B 75 2.056 19.071 -18.319 1.00 0.00 C ATOM 1145 CG PRO B 75 0.721 19.308 -17.615 1.00 0.00 C ATOM 1146 CD PRO B 75 -0.303 18.970 -18.698 1.00 0.00 C ATOM 0 HA PRO B 75 2.384 17.895 -20.135 1.00 0.00 H new ATOM 0 HB2 PRO B 75 2.850 18.840 -17.609 1.00 0.00 H new ATOM 0 HB3 PRO B 75 2.376 19.948 -18.881 1.00 0.00 H new ATOM 0 HG2 PRO B 75 0.608 18.669 -16.739 1.00 0.00 H new ATOM 0 HG3 PRO B 75 0.622 20.338 -17.273 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -1.209 18.551 -18.260 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -0.599 19.864 -19.247 1.00 0.00 H new ATOM 1154 N LYS B 76 3.309 16.086 -18.675 1.00 0.00 N ATOM 1155 CA LYS B 76 3.829 14.910 -17.968 1.00 0.00 C ATOM 1156 C LYS B 76 4.644 15.309 -16.727 1.00 0.00 C ATOM 1157 O LYS B 76 5.358 16.319 -16.725 1.00 0.00 O ATOM 1158 CB LYS B 76 4.688 14.026 -18.903 1.00 0.00 C ATOM 1159 CG LYS B 76 3.882 13.037 -19.764 1.00 0.00 C ATOM 1160 CD LYS B 76 3.642 13.444 -21.224 1.00 0.00 C ATOM 1161 CE LYS B 76 2.919 14.786 -21.356 1.00 0.00 C ATOM 1162 NZ LYS B 76 2.313 14.963 -22.693 1.00 0.00 N ATOM 0 H LYS B 76 3.998 16.523 -19.287 1.00 0.00 H new ATOM 0 HA LYS B 76 2.966 14.332 -17.639 1.00 0.00 H new ATOM 0 HB2 LYS B 76 5.268 14.672 -19.562 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.401 13.465 -18.298 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.399 12.077 -19.757 1.00 0.00 H new ATOM 0 HG3 LYS B 76 2.913 12.881 -19.289 1.00 0.00 H new ATOM 0 HD2 LYS B 76 4.599 13.500 -21.742 1.00 0.00 H new ATOM 0 HD3 LYS B 76 3.056 12.671 -21.720 1.00 0.00 H new ATOM 0 HE2 LYS B 76 2.142 14.855 -20.595 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.623 15.597 -21.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 1.749 15.837 -22.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 3.064 15.025 -23.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 1.698 14.151 -22.906 1.00 0.00 H new ATOM 1176 N HIS B 77 4.590 14.475 -15.692 1.00 0.00 N ATOM 1177 CA HIS B 77 5.355 14.599 -14.450 1.00 0.00 C ATOM 1178 C HIS B 77 5.857 13.212 -13.999 1.00 0.00 C ATOM 1179 O HIS B 77 5.034 12.308 -13.833 1.00 0.00 O ATOM 1180 CB HIS B 77 4.427 15.193 -13.375 1.00 0.00 C ATOM 1181 CG HIS B 77 3.970 16.613 -13.611 1.00 0.00 C ATOM 1182 ND1 HIS B 77 4.585 17.748 -13.139 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.812 17.016 -14.227 1.00 0.00 C ATOM 1184 CE1 HIS B 77 3.817 18.802 -13.448 1.00 0.00 C ATOM 1185 NE2 HIS B 77 2.710 18.411 -14.105 1.00 0.00 N ATOM 0 H HIS B 77 3.984 13.655 -15.695 1.00 0.00 H new ATOM 0 HA HIS B 77 6.219 15.245 -14.604 1.00 0.00 H new ATOM 0 HB2 HIS B 77 3.546 14.557 -13.292 1.00 0.00 H new ATOM 0 HB3 HIS B 77 4.942 15.152 -12.415 1.00 0.00 H new ATOM 0 HD1 HIS B 77 5.474 17.782 -12.639 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.101 16.371 -14.721 1.00 0.00 H new ATOM 0 HE1 HIS B 77 4.055 19.827 -13.203 1.00 0.00 H new ATOM 1193 N GLU B 78 7.167 13.027 -13.781 1.00 0.00 N ATOM 1194 CA GLU B 78 7.696 11.784 -13.207 1.00 0.00 C ATOM 1195 C GLU B 78 7.824 11.886 -11.676 1.00 0.00 C ATOM 1196 O GLU B 78 8.431 12.809 -11.139 1.00 0.00 O ATOM 1197 CB GLU B 78 9.041 11.375 -13.830 1.00 0.00 C ATOM 1198 CG GLU B 78 9.010 11.051 -15.336 1.00 0.00 C ATOM 1199 CD GLU B 78 10.225 10.217 -15.777 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.327 10.384 -15.198 1.00 0.00 O ATOM 1201 OE2 GLU B 78 10.076 9.326 -16.650 1.00 0.00 O ATOM 0 H GLU B 78 7.880 13.725 -13.994 1.00 0.00 H new ATOM 0 HA GLU B 78 6.975 11.003 -13.446 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.756 12.181 -13.665 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.416 10.501 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU B 78 8.095 10.508 -15.570 1.00 0.00 H new ATOM 0 HG3 GLU B 78 8.984 11.980 -15.905 1.00 0.00 H new ATOM 1208 N PHE B 79 7.272 10.896 -10.975 1.00 0.00 N ATOM 1209 CA PHE B 79 7.342 10.707 -9.525 1.00 0.00 C ATOM 1210 C PHE B 79 8.093 9.410 -9.192 1.00 0.00 C ATOM 1211 O PHE B 79 8.102 8.471 -9.987 1.00 0.00 O ATOM 1212 CB PHE B 79 5.915 10.675 -8.954 1.00 0.00 C ATOM 1213 CG PHE B 79 5.105 11.935 -9.208 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.171 13.007 -8.300 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.287 12.041 -10.351 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.424 14.177 -8.528 1.00 0.00 C ATOM 1217 CE2 PHE B 79 3.541 13.212 -10.579 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.611 14.281 -9.669 1.00 0.00 C ATOM 0 H PHE B 79 6.732 10.160 -11.431 1.00 0.00 H new ATOM 0 HA PHE B 79 7.889 11.534 -9.073 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.385 9.825 -9.383 1.00 0.00 H new ATOM 0 HB3 PHE B 79 5.971 10.505 -7.879 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.798 12.932 -7.424 1.00 0.00 H new ATOM 0 HD2 PHE B 79 4.233 11.222 -11.053 1.00 0.00 H new ATOM 0 HE1 PHE B 79 4.476 14.996 -7.826 1.00 0.00 H new ATOM 0 HE2 PHE B 79 2.914 13.290 -11.455 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.041 15.181 -9.847 1.00 0.00 H new ATOM 1228 N SER B 80 8.712 9.330 -8.018 1.00 0.00 N ATOM 1229 CA SER B 80 9.633 8.259 -7.626 1.00 0.00 C ATOM 1230 C SER B 80 9.428 7.822 -6.168 1.00 0.00 C ATOM 1231 O SER B 80 9.082 8.640 -5.313 1.00 0.00 O ATOM 1232 CB SER B 80 11.059 8.760 -7.841 1.00 0.00 C ATOM 1233 OG SER B 80 12.016 7.756 -7.565 1.00 0.00 O ATOM 0 H SER B 80 8.585 10.030 -7.287 1.00 0.00 H new ATOM 0 HA SER B 80 9.437 7.380 -8.240 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.174 9.098 -8.871 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.242 9.622 -7.200 1.00 0.00 H new ATOM 0 HG SER B 80 12.917 8.112 -7.715 1.00 0.00 H new ATOM 1239 N VAL B 81 9.646 6.533 -5.878 1.00 0.00 N ATOM 1240 CA VAL B 81 9.151 5.850 -4.662 1.00 0.00 C ATOM 1241 C VAL B 81 10.047 4.673 -4.255 1.00 0.00 C ATOM 1242 O VAL B 81 10.848 4.178 -5.043 1.00 0.00 O ATOM 1243 CB VAL B 81 7.682 5.350 -4.820 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.683 6.362 -4.245 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.288 5.029 -6.277 1.00 0.00 C ATOM 0 H VAL B 81 10.182 5.918 -6.490 1.00 0.00 H new ATOM 0 HA VAL B 81 9.179 6.601 -3.873 1.00 0.00 H new ATOM 0 HB VAL B 81 7.640 4.419 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.669 5.984 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.886 6.511 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.784 7.312 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.253 4.687 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.392 5.926 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.940 4.247 -6.666 1.00 0.00 H new ATOM 1255 N ASP B 82 9.885 4.205 -3.014 1.00 0.00 N ATOM 1256 CA ASP B 82 10.574 3.056 -2.398 1.00 0.00 C ATOM 1257 C ASP B 82 10.044 1.684 -2.887 1.00 0.00 C ATOM 1258 O ASP B 82 9.760 0.774 -2.105 1.00 0.00 O ATOM 1259 CB ASP B 82 10.525 3.245 -0.869 1.00 0.00 C ATOM 1260 CG ASP B 82 11.495 2.373 -0.066 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.464 1.823 -0.637 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.298 2.298 1.173 1.00 0.00 O ATOM 0 H ASP B 82 9.229 4.643 -2.368 1.00 0.00 H new ATOM 0 HA ASP B 82 11.616 3.035 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.732 4.291 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.511 3.039 -0.527 1.00 0.00 H new ATOM 1267 N MET B 83 9.869 1.549 -4.208 1.00 0.00 N ATOM 1268 CA MET B 83 9.360 0.353 -4.896 1.00 0.00 C ATOM 1269 C MET B 83 10.438 -0.732 -5.044 1.00 0.00 C ATOM 1270 O MET B 83 10.936 -0.987 -6.138 1.00 0.00 O ATOM 1271 CB MET B 83 8.758 0.732 -6.265 1.00 0.00 C ATOM 1272 CG MET B 83 7.489 1.579 -6.137 1.00 0.00 C ATOM 1273 SD MET B 83 6.094 0.724 -5.372 1.00 0.00 S ATOM 1274 CE MET B 83 4.926 2.099 -5.252 1.00 0.00 C ATOM 0 H MET B 83 10.088 2.305 -4.857 1.00 0.00 H new ATOM 0 HA MET B 83 8.570 -0.071 -4.276 1.00 0.00 H new ATOM 0 HB2 MET B 83 9.500 1.281 -6.844 1.00 0.00 H new ATOM 0 HB3 MET B 83 8.529 -0.177 -6.821 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.719 2.469 -5.552 1.00 0.00 H new ATOM 0 HG3 MET B 83 7.192 1.918 -7.129 1.00 0.00 H new ATOM 0 HE1 MET B 83 3.999 1.750 -4.798 1.00 0.00 H new ATOM 0 HE2 MET B 83 5.356 2.889 -4.637 1.00 0.00 H new ATOM 0 HE3 MET B 83 4.718 2.488 -6.249 1.00 0.00 H new ATOM 1284 N THR B 84 10.790 -1.390 -3.937 1.00 0.00 N ATOM 1285 CA THR B 84 11.625 -2.608 -3.909 1.00 0.00 C ATOM 1286 C THR B 84 10.838 -3.890 -4.217 1.00 0.00 C ATOM 1287 O THR B 84 11.403 -4.978 -4.105 1.00 0.00 O ATOM 1288 CB THR B 84 12.359 -2.715 -2.564 1.00 0.00 C ATOM 1289 OG1 THR B 84 11.437 -2.538 -1.517 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.433 -1.641 -2.414 1.00 0.00 C ATOM 0 H THR B 84 10.498 -1.088 -3.008 1.00 0.00 H new ATOM 0 HA THR B 84 12.358 -2.510 -4.710 1.00 0.00 H new ATOM 0 HB THR B 84 12.829 -3.698 -2.528 1.00 0.00 H new ATOM 0 HG1 THR B 84 11.901 -2.607 -0.657 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.927 -1.753 -1.449 1.00 0.00 H new ATOM 0 HG22 THR B 84 14.167 -1.747 -3.212 1.00 0.00 H new ATOM 0 HG23 THR B 84 12.972 -0.655 -2.473 1.00 0.00 H new ATOM 1298 N CYS B 85 9.561 -3.784 -4.604 1.00 0.00 N ATOM 1299 CA CYS B 85 8.635 -4.901 -4.770 1.00 0.00 C ATOM 1300 C CYS B 85 7.596 -4.675 -5.903 1.00 0.00 C ATOM 1301 O CYS B 85 6.986 -3.605 -6.024 1.00 0.00 O ATOM 1302 CB CYS B 85 8.009 -5.121 -3.387 1.00 0.00 C ATOM 1303 SG CYS B 85 6.871 -6.530 -3.355 1.00 0.00 S ATOM 0 H CYS B 85 9.133 -2.883 -4.817 1.00 0.00 H new ATOM 0 HA CYS B 85 9.154 -5.799 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.801 -5.281 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS B 85 7.475 -4.220 -3.086 1.00 0.00 H new ATOM 0 HG CYS B 85 5.649 -6.104 -3.482 1.00 0.00 H new ATOM 1308 N GLY B 86 7.373 -5.722 -6.707 1.00 0.00 N ATOM 1309 CA GLY B 86 6.452 -5.720 -7.847 1.00 0.00 C ATOM 1310 C GLY B 86 4.972 -5.733 -7.455 1.00 0.00 C ATOM 1311 O GLY B 86 4.147 -5.208 -8.201 1.00 0.00 O ATOM 0 H GLY B 86 7.842 -6.618 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY B 86 6.648 -4.838 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY B 86 6.660 -6.590 -8.470 1.00 0.00 H new ATOM 1315 N GLY B 87 4.615 -6.237 -6.268 1.00 0.00 N ATOM 1316 CA GLY B 87 3.227 -6.224 -5.780 1.00 0.00 C ATOM 1317 C GLY B 87 2.769 -4.809 -5.442 1.00 0.00 C ATOM 1318 O GLY B 87 1.659 -4.413 -5.805 1.00 0.00 O ATOM 0 H GLY B 87 5.276 -6.664 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.569 -6.650 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.145 -6.856 -4.896 1.00 0.00 H new ATOM 1322 N CYS B 88 3.660 -4.006 -4.853 1.00 0.00 N ATOM 1323 CA CYS B 88 3.495 -2.557 -4.717 1.00 0.00 C ATOM 1324 C CYS B 88 3.398 -1.850 -6.086 1.00 0.00 C ATOM 1325 O CYS B 88 2.537 -0.983 -6.265 1.00 0.00 O ATOM 1326 CB CYS B 88 4.651 -2.012 -3.868 1.00 0.00 C ATOM 1327 SG CYS B 88 4.502 -2.575 -2.150 1.00 0.00 S ATOM 0 H CYS B 88 4.531 -4.351 -4.450 1.00 0.00 H new ATOM 0 HA CYS B 88 2.550 -2.350 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS B 88 5.602 -2.344 -4.284 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.651 -0.922 -3.901 1.00 0.00 H new ATOM 0 HG CYS B 88 4.543 -3.874 -2.114 1.00 0.00 H new ATOM 1333 N ALA B 89 4.212 -2.250 -7.072 1.00 0.00 N ATOM 1334 CA ALA B 89 4.169 -1.698 -8.434 1.00 0.00 C ATOM 1335 C ALA B 89 2.870 -2.032 -9.200 1.00 0.00 C ATOM 1336 O ALA B 89 2.425 -1.231 -10.018 1.00 0.00 O ATOM 1337 CB ALA B 89 5.414 -2.154 -9.203 1.00 0.00 C ATOM 0 H ALA B 89 4.923 -2.970 -6.947 1.00 0.00 H new ATOM 0 HA ALA B 89 4.168 -0.611 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA B 89 5.387 -1.747 -10.214 1.00 0.00 H new ATOM 0 HB2 ALA B 89 6.308 -1.797 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA B 89 5.434 -3.243 -9.251 1.00 0.00 H new ATOM 1343 N GLU B 90 2.222 -3.171 -8.940 1.00 0.00 N ATOM 1344 CA GLU B 90 0.842 -3.407 -9.394 1.00 0.00 C ATOM 1345 C GLU B 90 -0.178 -2.586 -8.580 1.00 0.00 C ATOM 1346 O GLU B 90 -1.068 -1.956 -9.158 1.00 0.00 O ATOM 1347 CB GLU B 90 0.514 -4.911 -9.420 1.00 0.00 C ATOM 1348 CG GLU B 90 1.411 -5.638 -10.437 1.00 0.00 C ATOM 1349 CD GLU B 90 0.855 -6.992 -10.858 1.00 0.00 C ATOM 1350 OE1 GLU B 90 0.806 -7.937 -10.034 1.00 0.00 O ATOM 1351 OE2 GLU B 90 0.496 -7.144 -12.051 1.00 0.00 O ATOM 0 H GLU B 90 2.628 -3.947 -8.417 1.00 0.00 H new ATOM 0 HA GLU B 90 0.763 -3.051 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.658 -5.338 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.534 -5.057 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU B 90 1.533 -5.011 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU B 90 2.402 -5.776 -10.005 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.023 -2.508 -7.252 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.926 -1.762 -6.371 1.00 0.00 C ATOM 1360 C ALA B 91 -0.970 -0.251 -6.670 1.00 0.00 C ATOM 1361 O ALA B 91 -2.051 0.339 -6.631 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.518 -2.021 -4.915 1.00 0.00 C ATOM 0 H ALA B 91 0.741 -2.966 -6.756 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.939 -2.121 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -1.182 -1.472 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.590 -3.087 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.508 -1.688 -4.760 1.00 0.00 H new ATOM 1368 N VAL B 92 0.166 0.380 -6.987 1.00 0.00 N ATOM 1369 CA VAL B 92 0.218 1.832 -7.260 1.00 0.00 C ATOM 1370 C VAL B 92 -0.627 2.239 -8.483 1.00 0.00 C ATOM 1371 O VAL B 92 -1.240 3.303 -8.460 1.00 0.00 O ATOM 1372 CB VAL B 92 1.664 2.376 -7.328 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.453 1.865 -8.538 1.00 0.00 C ATOM 1374 CG2 VAL B 92 1.700 3.912 -7.302 1.00 0.00 C ATOM 0 H VAL B 92 1.069 -0.089 -7.063 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.245 2.315 -6.400 1.00 0.00 H new ATOM 0 HB VAL B 92 2.151 1.990 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.458 2.287 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.515 0.777 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.948 2.167 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL B 92 2.734 4.253 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.148 4.303 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.244 4.271 -6.380 1.00 0.00 H new ATOM 1384 N SER B 93 -0.777 1.370 -9.491 1.00 0.00 N ATOM 1385 CA SER B 93 -1.779 1.540 -10.562 1.00 0.00 C ATOM 1386 C SER B 93 -3.196 1.659 -9.979 1.00 0.00 C ATOM 1387 O SER B 93 -3.904 2.637 -10.218 1.00 0.00 O ATOM 1388 CB SER B 93 -1.740 0.372 -11.579 1.00 0.00 C ATOM 1389 OG SER B 93 -0.717 -0.590 -11.351 1.00 0.00 O ATOM 0 H SER B 93 -0.210 0.528 -9.591 1.00 0.00 H new ATOM 0 HA SER B 93 -1.525 2.462 -11.084 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.705 -0.135 -11.564 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.613 0.785 -12.580 1.00 0.00 H new ATOM 0 HG SER B 93 -0.992 -1.195 -10.631 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.586 0.695 -9.136 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.901 0.668 -8.487 1.00 0.00 C ATOM 1397 C ARG B 94 -5.116 1.892 -7.578 1.00 0.00 C ATOM 1398 O ARG B 94 -6.204 2.470 -7.588 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.090 -0.649 -7.715 1.00 0.00 C ATOM 1400 CG ARG B 94 -4.817 -1.911 -8.551 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.208 -3.150 -7.742 1.00 0.00 C ATOM 1402 NE ARG B 94 -4.804 -4.402 -8.395 1.00 0.00 N ATOM 1403 CZ ARG B 94 -4.737 -5.581 -7.783 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -5.080 -5.733 -6.519 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -4.317 -6.643 -8.429 1.00 0.00 N ATOM 0 H ARG B 94 -2.992 -0.095 -8.884 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.661 0.719 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.427 -0.649 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.111 -0.692 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.386 -1.875 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -3.763 -1.959 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.749 -3.095 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.288 -3.155 -7.591 1.00 0.00 H new ATOM 0 HE ARG B 94 -4.558 -4.365 -9.384 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -5.409 -4.932 -5.980 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -5.017 -6.652 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -4.039 -6.568 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -4.268 -7.544 -7.953 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.083 2.325 -6.850 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.099 3.544 -6.011 1.00 0.00 C ATOM 1421 C VAL B 95 -4.362 4.814 -6.839 1.00 0.00 C ATOM 1422 O VAL B 95 -5.140 5.664 -6.405 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.780 3.676 -5.211 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.573 5.041 -4.534 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -2.728 2.603 -4.116 1.00 0.00 C ATOM 0 H VAL B 95 -3.190 1.833 -6.821 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.926 3.440 -5.308 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.988 3.557 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.624 5.041 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.562 5.825 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.386 5.226 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -1.798 2.700 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.574 2.731 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -2.775 1.614 -4.573 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.751 4.937 -8.027 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.956 6.069 -8.938 1.00 0.00 C ATOM 1437 C LEU B 96 -5.343 6.067 -9.588 1.00 0.00 C ATOM 1438 O LEU B 96 -5.928 7.137 -9.739 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.846 6.082 -10.007 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.474 6.555 -9.485 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.406 6.307 -10.558 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.485 8.050 -9.122 1.00 0.00 C ATOM 0 H LEU B 96 -3.093 4.244 -8.385 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.902 6.982 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.740 5.078 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.154 6.731 -10.827 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.248 5.988 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.564 6.641 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.360 5.242 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.662 6.861 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.500 8.343 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.736 8.637 -10.006 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.227 8.230 -8.344 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.917 4.902 -9.907 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.250 4.805 -10.525 1.00 0.00 C ATOM 1456 C ASN B 97 -8.382 5.466 -9.710 1.00 0.00 C ATOM 1457 O ASN B 97 -9.414 5.818 -10.283 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.597 3.332 -10.790 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.750 2.683 -11.878 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -6.185 3.339 -12.748 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -6.664 1.369 -11.861 1.00 0.00 N ATOM 0 H ASN B 97 -5.473 3.998 -9.745 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.185 5.364 -11.458 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -7.476 2.769 -9.865 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.648 3.262 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -6.123 0.884 -12.577 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -7.139 0.836 -11.132 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.189 5.699 -8.402 1.00 0.00 N ATOM 1469 CA LYS B 98 -9.109 6.466 -7.546 1.00 0.00 C ATOM 1470 C LYS B 98 -9.252 7.947 -7.981 1.00 0.00 C ATOM 1471 O LYS B 98 -10.299 8.557 -7.770 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.621 6.383 -6.085 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.446 4.971 -5.489 1.00 0.00 C ATOM 1474 CD LYS B 98 -9.732 4.133 -5.427 1.00 0.00 C ATOM 1475 CE LYS B 98 -9.494 2.914 -4.520 1.00 0.00 C ATOM 1476 NZ LYS B 98 -10.681 2.031 -4.422 1.00 0.00 N ATOM 0 H LYS B 98 -7.372 5.352 -7.899 1.00 0.00 H new ATOM 0 HA LYS B 98 -10.100 6.022 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.665 6.902 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.326 6.931 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -7.706 4.432 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.042 5.065 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -10.555 4.735 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -10.018 3.808 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.651 2.340 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -9.219 3.257 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -10.465 1.227 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -11.481 2.567 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -10.931 1.679 -5.368 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.235 8.523 -8.639 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.284 9.859 -9.263 1.00 0.00 C ATOM 1492 C LEU B 99 -9.161 9.903 -10.529 1.00 0.00 C ATOM 1493 O LEU B 99 -9.460 10.997 -11.015 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.850 10.308 -9.613 1.00 0.00 C ATOM 1495 CG LEU B 99 -5.912 10.537 -8.409 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.461 10.609 -8.907 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.273 11.832 -7.667 1.00 0.00 C ATOM 0 H LEU B 99 -7.332 8.063 -8.756 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.739 10.536 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.401 9.557 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.908 11.233 -10.187 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.026 9.706 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -3.793 10.771 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.199 9.674 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.359 11.434 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.596 11.969 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.181 12.679 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.299 11.769 -7.303 1.00 0.00 H new ATOM 1509 N GLY B 100 -9.557 8.745 -11.073 1.00 0.00 N ATOM 1510 CA GLY B 100 -10.292 8.603 -12.334 1.00 0.00 C ATOM 1511 C GLY B 100 -9.387 8.135 -13.476 1.00 0.00 C ATOM 1512 O GLY B 100 -8.396 7.430 -13.268 1.00 0.00 O ATOM 0 H GLY B 100 -9.366 7.847 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -11.106 7.890 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.745 9.558 -12.599 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.706 8.557 -14.702 1.00 0.00 N ATOM 1517 CA GLY B 101 -9.016 8.204 -15.949 1.00 0.00 C ATOM 1518 C GLY B 101 -7.681 8.923 -16.146 1.00 0.00 C ATOM 1519 O GLY B 101 -7.395 9.394 -17.244 1.00 0.00 O ATOM 0 H GLY B 101 -10.493 9.186 -14.862 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.843 7.128 -15.964 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.669 8.434 -16.791 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.863 9.014 -15.097 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.504 9.578 -15.165 1.00 0.00 C ATOM 1525 C VAL B 102 -4.610 8.689 -16.035 1.00 0.00 C ATOM 1526 O VAL B 102 -4.526 7.481 -15.822 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.860 9.795 -13.772 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -5.433 11.055 -13.108 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -5.032 8.612 -12.799 1.00 0.00 C ATOM 0 H VAL B 102 -7.123 8.696 -14.163 1.00 0.00 H new ATOM 0 HA VAL B 102 -5.596 10.566 -15.617 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.793 9.898 -13.968 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.971 11.193 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -5.225 11.923 -13.734 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -6.511 10.945 -12.987 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.552 8.849 -11.850 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -6.094 8.429 -12.633 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.573 7.720 -13.226 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.933 9.276 -17.024 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.927 8.575 -17.821 1.00 0.00 C ATOM 1541 C LYS B 103 -1.621 8.455 -17.020 1.00 0.00 C ATOM 1542 O LYS B 103 -1.133 9.431 -16.446 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.710 9.302 -19.161 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.671 8.878 -20.284 1.00 0.00 C ATOM 1545 CD LYS B 103 -5.082 9.463 -20.186 1.00 0.00 C ATOM 1546 CE LYS B 103 -5.912 9.057 -21.410 1.00 0.00 C ATOM 1547 NZ LYS B 103 -7.145 9.866 -21.523 1.00 0.00 N ATOM 0 H LYS B 103 -4.067 10.250 -17.294 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.276 7.568 -18.047 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.814 10.375 -18.998 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.686 9.128 -19.492 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -3.239 9.171 -21.241 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -3.745 7.790 -20.287 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.567 9.110 -19.276 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -5.029 10.550 -20.118 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.313 9.177 -22.313 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -6.174 8.001 -21.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -7.682 9.565 -22.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -7.728 9.732 -20.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.894 10.871 -21.615 1.00 0.00 H new ATOM 1561 N TYR B 104 -1.037 7.257 -16.995 1.00 0.00 N ATOM 1562 CA TYR B 104 0.226 6.985 -16.299 1.00 0.00 C ATOM 1563 C TYR B 104 1.011 5.783 -16.849 1.00 0.00 C ATOM 1564 O TYR B 104 0.445 4.887 -17.478 1.00 0.00 O ATOM 1565 CB TYR B 104 0.000 6.857 -14.779 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.923 5.728 -14.356 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -0.474 4.392 -14.373 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -2.241 6.014 -13.954 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -1.348 3.347 -14.026 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -3.117 4.975 -13.586 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.673 3.633 -13.630 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.512 2.617 -13.293 1.00 0.00 O ATOM 0 H TYR B 104 -1.429 6.439 -17.461 1.00 0.00 H new ATOM 0 HA TYR B 104 0.859 7.851 -16.495 1.00 0.00 H new ATOM 0 HB2 TYR B 104 0.966 6.716 -14.295 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -0.408 7.797 -14.408 1.00 0.00 H new ATOM 0 HD1 TYR B 104 0.545 4.170 -14.654 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.583 7.038 -13.928 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -1.005 2.323 -14.062 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -4.125 5.202 -13.271 1.00 0.00 H new ATOM 0 HH TYR B 104 -4.408 2.975 -13.125 1.00 0.00 H new ATOM 1582 N ASP B 105 2.316 5.756 -16.564 1.00 0.00 N ATOM 1583 CA ASP B 105 3.261 4.699 -16.937 1.00 0.00 C ATOM 1584 C ASP B 105 4.226 4.399 -15.770 1.00 0.00 C ATOM 1585 O ASP B 105 4.959 5.284 -15.328 1.00 0.00 O ATOM 1586 CB ASP B 105 4.048 5.147 -18.183 1.00 0.00 C ATOM 1587 CG ASP B 105 3.189 5.302 -19.441 1.00 0.00 C ATOM 1588 OD1 ASP B 105 2.563 4.306 -19.871 1.00 0.00 O ATOM 1589 OD2 ASP B 105 3.236 6.382 -20.082 1.00 0.00 O ATOM 0 H ASP B 105 2.765 6.508 -16.041 1.00 0.00 H new ATOM 0 HA ASP B 105 2.712 3.785 -17.162 1.00 0.00 H new ATOM 0 HB2 ASP B 105 4.536 6.098 -17.969 1.00 0.00 H new ATOM 0 HB3 ASP B 105 4.837 4.422 -18.382 1.00 0.00 H new ATOM 1594 N ILE B 106 4.230 3.162 -15.262 1.00 0.00 N ATOM 1595 CA ILE B 106 5.014 2.711 -14.086 1.00 0.00 C ATOM 1596 C ILE B 106 6.339 2.053 -14.524 1.00 0.00 C ATOM 1597 O ILE B 106 6.440 1.518 -15.636 1.00 0.00 O ATOM 1598 CB ILE B 106 4.139 1.763 -13.212 1.00 0.00 C ATOM 1599 CG1 ILE B 106 2.831 2.458 -12.747 1.00 0.00 C ATOM 1600 CG2 ILE B 106 4.898 1.223 -11.977 1.00 0.00 C ATOM 1601 CD1 ILE B 106 1.720 1.482 -12.347 1.00 0.00 C ATOM 0 H ILE B 106 3.669 2.412 -15.667 1.00 0.00 H new ATOM 0 HA ILE B 106 5.287 3.573 -13.478 1.00 0.00 H new ATOM 0 HB ILE B 106 3.888 0.918 -13.854 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.056 3.105 -11.899 1.00 0.00 H new ATOM 0 HG13 ILE B 106 2.467 3.100 -13.549 1.00 0.00 H new ATOM 0 HG21 ILE B 106 4.241 0.568 -11.404 1.00 0.00 H new ATOM 0 HG22 ILE B 106 5.774 0.662 -12.304 1.00 0.00 H new ATOM 0 HG23 ILE B 106 5.215 2.057 -11.351 1.00 0.00 H new ATOM 0 HD11 ILE B 106 0.839 2.042 -12.034 1.00 0.00 H new ATOM 0 HD12 ILE B 106 1.465 0.851 -13.199 1.00 0.00 H new ATOM 0 HD13 ILE B 106 2.064 0.857 -11.523 1.00 0.00 H new ATOM 1613 N ASP B 107 7.364 2.082 -13.669 1.00 0.00 N ATOM 1614 CA ASP B 107 8.662 1.444 -13.900 1.00 0.00 C ATOM 1615 C ASP B 107 9.335 0.931 -12.613 1.00 0.00 C ATOM 1616 O ASP B 107 9.623 1.700 -11.693 1.00 0.00 O ATOM 1617 CB ASP B 107 9.569 2.436 -14.638 1.00 0.00 C ATOM 1618 CG ASP B 107 10.784 1.729 -15.219 1.00 0.00 C ATOM 1619 OD1 ASP B 107 10.634 1.147 -16.320 1.00 0.00 O ATOM 1620 OD2 ASP B 107 11.854 1.766 -14.580 1.00 0.00 O ATOM 0 H ASP B 107 7.312 2.564 -12.771 1.00 0.00 H new ATOM 0 HA ASP B 107 8.493 0.555 -14.507 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.009 2.922 -15.437 1.00 0.00 H new ATOM 0 HB3 ASP B 107 9.892 3.220 -13.953 1.00 0.00 H new ATOM 1625 N LEU B 108 9.619 -0.377 -12.569 1.00 0.00 N ATOM 1626 CA LEU B 108 10.259 -1.060 -11.438 1.00 0.00 C ATOM 1627 C LEU B 108 11.802 -0.927 -11.380 1.00 0.00 C ATOM 1628 O LEU B 108 12.307 -0.742 -10.267 1.00 0.00 O ATOM 1629 CB LEU B 108 9.780 -2.529 -11.442 1.00 0.00 C ATOM 1630 CG LEU B 108 10.211 -3.376 -10.223 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.689 -2.813 -8.891 1.00 0.00 C ATOM 1632 CD2 LEU B 108 9.691 -4.811 -10.398 1.00 0.00 C ATOM 0 H LEU B 108 9.404 -1.007 -13.342 1.00 0.00 H new ATOM 0 HA LEU B 108 9.947 -0.561 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.692 -2.537 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.152 -3.011 -12.346 1.00 0.00 H new ATOM 0 HG LEU B 108 11.300 -3.353 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU B 108 10.023 -3.449 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU B 108 10.074 -1.803 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.599 -2.787 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU B 108 9.992 -5.414 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.603 -4.798 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU B 108 10.108 -5.241 -11.309 1.00 0.00 H new ATOM 1644 N PRO B 109 12.584 -0.998 -12.484 1.00 0.00 N ATOM 1645 CA PRO B 109 14.043 -0.882 -12.392 1.00 0.00 C ATOM 1646 C PRO B 109 14.526 0.531 -12.025 1.00 0.00 C ATOM 1647 O PRO B 109 15.513 0.653 -11.298 1.00 0.00 O ATOM 1648 CB PRO B 109 14.600 -1.363 -13.735 1.00 0.00 C ATOM 1649 CG PRO B 109 13.436 -1.202 -14.707 1.00 0.00 C ATOM 1650 CD PRO B 109 12.204 -1.412 -13.832 1.00 0.00 C ATOM 0 HA PRO B 109 14.414 -1.497 -11.572 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.461 -0.770 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO B 109 14.931 -2.400 -13.680 1.00 0.00 H new ATOM 0 HG2 PRO B 109 13.435 -0.215 -15.171 1.00 0.00 H new ATOM 0 HG3 PRO B 109 13.484 -1.933 -15.514 1.00 0.00 H new ATOM 0 HD2 PRO B 109 11.363 -0.823 -14.197 1.00 0.00 H new ATOM 0 HD3 PRO B 109 11.891 -2.456 -13.845 1.00 0.00 H new ATOM 1658 N ASN B 110 13.835 1.593 -12.462 1.00 0.00 N ATOM 1659 CA ASN B 110 14.125 2.981 -12.061 1.00 0.00 C ATOM 1660 C ASN B 110 13.263 3.463 -10.869 1.00 0.00 C ATOM 1661 O ASN B 110 13.484 4.567 -10.361 1.00 0.00 O ATOM 1662 CB ASN B 110 13.946 3.921 -13.266 1.00 0.00 C ATOM 1663 CG ASN B 110 14.854 3.584 -14.443 1.00 0.00 C ATOM 1664 OD1 ASN B 110 15.971 4.077 -14.560 1.00 0.00 O ATOM 1665 ND2 ASN B 110 14.398 2.764 -15.367 1.00 0.00 N ATOM 0 H ASN B 110 13.051 1.514 -13.110 1.00 0.00 H new ATOM 0 HA ASN B 110 15.161 3.004 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN B 110 12.908 3.882 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.141 4.946 -12.949 1.00 0.00 H new ATOM 0 HD21 ASN B 110 14.974 2.540 -16.179 1.00 0.00 H new ATOM 0 HD22 ASN B 110 13.469 2.353 -15.271 1.00 0.00 H new ATOM 1672 N LYS B 111 12.285 2.658 -10.425 1.00 0.00 N ATOM 1673 CA LYS B 111 11.373 2.897 -9.285 1.00 0.00 C ATOM 1674 C LYS B 111 10.510 4.179 -9.412 1.00 0.00 C ATOM 1675 O LYS B 111 10.273 4.898 -8.431 1.00 0.00 O ATOM 1676 CB LYS B 111 12.128 2.812 -7.943 1.00 0.00 C ATOM 1677 CG LYS B 111 12.815 1.462 -7.689 1.00 0.00 C ATOM 1678 CD LYS B 111 13.273 1.392 -6.223 1.00 0.00 C ATOM 1679 CE LYS B 111 13.983 0.087 -5.850 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.260 -0.088 -6.574 1.00 0.00 N ATOM 0 H LYS B 111 12.094 1.765 -10.879 1.00 0.00 H new ATOM 0 HA LYS B 111 10.644 2.087 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.880 3.601 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.427 3.008 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.127 0.645 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.670 1.345 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.944 2.228 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.405 1.518 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.173 0.074 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS B 111 13.327 -0.755 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 15.702 -0.985 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.079 -0.103 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.899 0.701 -6.347 1.00 0.00 H new ATOM 1694 N LYS B 112 10.041 4.479 -10.630 1.00 0.00 N ATOM 1695 CA LYS B 112 9.289 5.697 -10.961 1.00 0.00 C ATOM 1696 C LYS B 112 7.882 5.437 -11.535 1.00 0.00 C ATOM 1697 O LYS B 112 7.555 4.328 -11.949 1.00 0.00 O ATOM 1698 CB LYS B 112 10.141 6.602 -11.878 1.00 0.00 C ATOM 1699 CG LYS B 112 10.449 6.012 -13.265 1.00 0.00 C ATOM 1700 CD LYS B 112 11.220 7.033 -14.113 1.00 0.00 C ATOM 1701 CE LYS B 112 11.584 6.482 -15.499 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.199 7.539 -16.339 1.00 0.00 N ATOM 0 H LYS B 112 10.177 3.866 -11.433 1.00 0.00 H new ATOM 0 HA LYS B 112 9.098 6.218 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS B 112 9.622 7.552 -12.010 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.083 6.820 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.035 5.099 -13.159 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.521 5.738 -13.767 1.00 0.00 H new ATOM 0 HD2 LYS B 112 10.618 7.934 -14.229 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.131 7.323 -13.589 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.276 5.646 -15.393 1.00 0.00 H new ATOM 0 HE3 LYS B 112 10.690 6.096 -15.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 12.693 7.100 -17.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 11.457 8.175 -16.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 12.879 8.083 -15.770 1.00 0.00 H new ATOM 1716 N VAL B 113 7.057 6.482 -11.576 1.00 0.00 N ATOM 1717 CA VAL B 113 5.755 6.526 -12.256 1.00 0.00 C ATOM 1718 C VAL B 113 5.624 7.885 -12.943 1.00 0.00 C ATOM 1719 O VAL B 113 5.696 8.912 -12.275 1.00 0.00 O ATOM 1720 CB VAL B 113 4.559 6.330 -11.290 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.252 6.221 -12.094 1.00 0.00 C ATOM 1722 CG2 VAL B 113 4.714 5.086 -10.398 1.00 0.00 C ATOM 0 H VAL B 113 7.285 7.364 -11.116 1.00 0.00 H new ATOM 0 HA VAL B 113 5.723 5.703 -12.971 1.00 0.00 H new ATOM 0 HB VAL B 113 4.533 7.201 -10.635 1.00 0.00 H new ATOM 0 HG11 VAL B 113 2.415 6.083 -11.410 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.103 7.133 -12.671 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.311 5.369 -12.771 1.00 0.00 H new ATOM 0 HG21 VAL B 113 3.848 4.998 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL B 113 4.787 4.196 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL B 113 5.617 5.181 -9.795 1.00 0.00 H new ATOM 1732 N CYS B 114 5.429 7.901 -14.261 1.00 0.00 N ATOM 1733 CA CYS B 114 5.127 9.115 -15.016 1.00 0.00 C ATOM 1734 C CYS B 114 3.612 9.302 -15.108 1.00 0.00 C ATOM 1735 O CYS B 114 2.934 8.416 -15.625 1.00 0.00 O ATOM 1736 CB CYS B 114 5.756 9.010 -16.409 1.00 0.00 C ATOM 1737 SG CYS B 114 5.475 10.592 -17.250 1.00 0.00 S ATOM 0 H CYS B 114 5.477 7.063 -14.840 1.00 0.00 H new ATOM 0 HA CYS B 114 5.545 9.985 -14.509 1.00 0.00 H new ATOM 0 HB2 CYS B 114 6.823 8.799 -16.334 1.00 0.00 H new ATOM 0 HB3 CYS B 114 5.308 8.191 -16.972 1.00 0.00 H new ATOM 0 HG CYS B 114 5.178 10.374 -18.497 1.00 0.00 H new ATOM 1743 N ILE B 115 3.079 10.440 -14.668 1.00 0.00 N ATOM 1744 CA ILE B 115 1.651 10.792 -14.769 1.00 0.00 C ATOM 1745 C ILE B 115 1.474 11.906 -15.807 1.00 0.00 C ATOM 1746 O ILE B 115 2.249 12.863 -15.828 1.00 0.00 O ATOM 1747 CB ILE B 115 1.085 11.200 -13.385 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.268 10.046 -12.365 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.402 11.605 -13.505 1.00 0.00 C ATOM 1750 CD1 ILE B 115 0.822 10.370 -10.934 1.00 0.00 C ATOM 0 H ILE B 115 3.637 11.166 -14.219 1.00 0.00 H new ATOM 0 HA ILE B 115 1.085 9.921 -15.099 1.00 0.00 H new ATOM 0 HB ILE B 115 1.640 12.065 -13.022 1.00 0.00 H new ATOM 0 HG12 ILE B 115 0.709 9.179 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE B 115 2.320 9.761 -12.346 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.782 11.888 -12.524 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.495 12.449 -14.188 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.979 10.763 -13.888 1.00 0.00 H new ATOM 0 HD11 ILE B 115 0.989 9.502 -10.296 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.398 11.215 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -0.238 10.623 -10.932 1.00 0.00 H new ATOM 1762 N GLU B 116 0.434 11.788 -16.631 1.00 0.00 N ATOM 1763 CA GLU B 116 -0.013 12.778 -17.604 1.00 0.00 C ATOM 1764 C GLU B 116 -1.407 13.284 -17.184 1.00 0.00 C ATOM 1765 O GLU B 116 -2.419 12.627 -17.424 1.00 0.00 O ATOM 1766 CB GLU B 116 -0.012 12.118 -18.998 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.363 13.100 -20.118 1.00 0.00 C ATOM 1768 CD GLU B 116 -0.402 12.433 -21.496 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -1.184 11.471 -21.694 1.00 0.00 O ATOM 1770 OE2 GLU B 116 0.256 12.953 -22.428 1.00 0.00 O ATOM 0 H GLU B 116 -0.150 10.952 -16.636 1.00 0.00 H new ATOM 0 HA GLU B 116 0.650 13.642 -17.644 1.00 0.00 H new ATOM 0 HB2 GLU B 116 0.971 11.689 -19.192 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.726 11.294 -19.006 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.333 13.551 -19.909 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.369 13.908 -20.130 1.00 0.00 H new ATOM 1777 N SER B 117 -1.485 14.436 -16.515 1.00 0.00 N ATOM 1778 CA SER B 117 -2.746 15.001 -16.000 1.00 0.00 C ATOM 1779 C SER B 117 -2.678 16.526 -15.780 1.00 0.00 C ATOM 1780 O SER B 117 -1.615 17.083 -15.495 1.00 0.00 O ATOM 1781 CB SER B 117 -3.140 14.284 -14.694 1.00 0.00 C ATOM 1782 OG SER B 117 -4.233 14.909 -14.036 1.00 0.00 O ATOM 0 H SER B 117 -0.669 15.013 -16.310 1.00 0.00 H new ATOM 0 HA SER B 117 -3.509 14.834 -16.760 1.00 0.00 H new ATOM 0 HB2 SER B 117 -3.398 13.249 -14.916 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.281 14.262 -14.023 1.00 0.00 H new ATOM 0 HG SER B 117 -4.649 14.273 -13.417 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.832 17.200 -15.848 1.00 0.00 N ATOM 1789 CA GLU B 118 -4.023 18.612 -15.477 1.00 0.00 C ATOM 1790 C GLU B 118 -4.196 18.840 -13.958 1.00 0.00 C ATOM 1791 O GLU B 118 -4.444 19.968 -13.529 1.00 0.00 O ATOM 1792 CB GLU B 118 -5.197 19.206 -16.279 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.569 18.645 -15.872 1.00 0.00 C ATOM 1794 CD GLU B 118 -7.698 19.052 -16.823 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -7.611 20.115 -17.480 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -8.695 18.297 -16.918 1.00 0.00 O ATOM 0 H GLU B 118 -4.693 16.762 -16.175 1.00 0.00 H new ATOM 0 HA GLU B 118 -3.104 19.138 -15.737 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -5.204 20.288 -16.149 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.035 19.013 -17.340 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.511 17.557 -15.833 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -6.810 18.988 -14.866 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.081 17.797 -13.130 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.104 17.921 -11.670 1.00 0.00 C ATOM 1805 C HIS B 119 -2.830 18.574 -11.084 1.00 0.00 C ATOM 1806 O HIS B 119 -1.741 18.547 -11.671 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.354 16.544 -11.016 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.807 16.139 -10.925 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -6.809 16.865 -10.326 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.361 14.948 -11.320 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.942 16.144 -10.377 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.724 14.959 -10.981 1.00 0.00 N ATOM 0 H HIS B 119 -3.969 16.837 -13.456 1.00 0.00 H new ATOM 0 HA HIS B 119 -4.928 18.595 -11.434 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.815 15.785 -11.583 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -3.930 16.552 -10.012 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.838 14.139 -11.809 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.895 16.469 -9.988 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.408 14.222 -11.156 1.00 0.00 H new ATOM 1820 N SER B 120 -2.971 19.127 -9.878 1.00 0.00 N ATOM 1821 CA SER B 120 -1.875 19.657 -9.052 1.00 0.00 C ATOM 1822 C SER B 120 -0.959 18.547 -8.508 1.00 0.00 C ATOM 1823 O SER B 120 -1.447 17.496 -8.078 1.00 0.00 O ATOM 1824 CB SER B 120 -2.470 20.422 -7.858 1.00 0.00 C ATOM 1825 OG SER B 120 -3.432 21.378 -8.280 1.00 0.00 O ATOM 0 H SER B 120 -3.882 19.223 -9.430 1.00 0.00 H new ATOM 0 HA SER B 120 -1.276 20.310 -9.687 1.00 0.00 H new ATOM 0 HB2 SER B 120 -2.934 19.717 -7.168 1.00 0.00 H new ATOM 0 HB3 SER B 120 -1.672 20.924 -7.312 1.00 0.00 H new ATOM 0 HG SER B 120 -3.793 21.846 -7.498 1.00 0.00 H new ATOM 1831 N MET B 121 0.362 18.777 -8.454 1.00 0.00 N ATOM 1832 CA MET B 121 1.313 17.778 -7.942 1.00 0.00 C ATOM 1833 C MET B 121 1.046 17.388 -6.487 1.00 0.00 C ATOM 1834 O MET B 121 1.138 16.207 -6.175 1.00 0.00 O ATOM 1835 CB MET B 121 2.772 18.234 -8.102 1.00 0.00 C ATOM 1836 CG MET B 121 3.193 18.344 -9.572 1.00 0.00 C ATOM 1837 SD MET B 121 4.906 17.862 -9.916 1.00 0.00 S ATOM 1838 CE MET B 121 5.805 19.085 -8.936 1.00 0.00 C ATOM 0 H MET B 121 0.797 19.648 -8.759 1.00 0.00 H new ATOM 0 HA MET B 121 1.155 16.891 -8.556 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.903 19.201 -7.616 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.428 17.529 -7.591 1.00 0.00 H new ATOM 0 HG2 MET B 121 2.529 17.722 -10.172 1.00 0.00 H new ATOM 0 HG3 MET B 121 3.048 19.373 -9.900 1.00 0.00 H new ATOM 0 HE1 MET B 121 6.864 19.049 -9.192 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.414 20.080 -9.148 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.680 18.865 -7.876 1.00 0.00 H new ATOM 1848 N ASP B 122 0.655 18.318 -5.611 1.00 0.00 N ATOM 1849 CA ASP B 122 0.317 18.018 -4.210 1.00 0.00 C ATOM 1850 C ASP B 122 -0.793 16.958 -4.080 1.00 0.00 C ATOM 1851 O ASP B 122 -0.731 16.115 -3.183 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.098 19.313 -3.494 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.413 19.056 -2.017 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.549 18.884 -1.230 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.615 18.985 -1.659 1.00 0.00 O ATOM 0 H ASP B 122 0.563 19.305 -5.851 1.00 0.00 H new ATOM 0 HA ASP B 122 1.207 17.599 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.703 20.048 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.973 19.739 -3.986 1.00 0.00 H new ATOM 1860 N THR B 123 -1.774 16.985 -4.992 1.00 0.00 N ATOM 1861 CA THR B 123 -2.901 16.042 -5.052 1.00 0.00 C ATOM 1862 C THR B 123 -2.419 14.662 -5.480 1.00 0.00 C ATOM 1863 O THR B 123 -2.778 13.669 -4.847 1.00 0.00 O ATOM 1864 CB THR B 123 -3.967 16.577 -6.017 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.323 17.869 -5.582 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.237 15.729 -6.048 1.00 0.00 C ATOM 0 H THR B 123 -1.807 17.686 -5.732 1.00 0.00 H new ATOM 0 HA THR B 123 -3.344 15.946 -4.060 1.00 0.00 H new ATOM 0 HB THR B 123 -3.541 16.563 -7.020 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.004 18.240 -6.181 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.948 16.164 -6.750 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.990 14.715 -6.363 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.681 15.702 -5.053 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.573 14.604 -6.516 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.957 13.367 -7.011 1.00 0.00 C ATOM 1876 C LEU B 124 -0.035 12.738 -5.954 1.00 0.00 C ATOM 1877 O LEU B 124 -0.134 11.539 -5.691 1.00 0.00 O ATOM 1878 CB LEU B 124 -0.188 13.660 -8.319 1.00 0.00 C ATOM 1879 CG LEU B 124 -1.035 14.233 -9.478 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.135 14.527 -10.687 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -2.169 13.286 -9.891 1.00 0.00 C ATOM 0 H LEU B 124 -1.292 15.431 -7.043 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.745 12.643 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.615 14.363 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.281 12.737 -8.658 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.493 15.156 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.738 14.931 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.627 15.254 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.346 13.606 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.736 13.732 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.748 12.335 -10.218 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.830 13.117 -9.041 1.00 0.00 H new ATOM 1893 N LEU B 125 0.809 13.546 -5.303 1.00 0.00 N ATOM 1894 CA LEU B 125 1.681 13.142 -4.196 1.00 0.00 C ATOM 1895 C LEU B 125 0.867 12.579 -3.024 1.00 0.00 C ATOM 1896 O LEU B 125 1.222 11.531 -2.495 1.00 0.00 O ATOM 1897 CB LEU B 125 2.529 14.352 -3.746 1.00 0.00 C ATOM 1898 CG LEU B 125 3.634 14.790 -4.732 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.175 16.172 -4.336 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.797 13.792 -4.773 1.00 0.00 C ATOM 0 H LEU B 125 0.907 14.533 -5.541 1.00 0.00 H new ATOM 0 HA LEU B 125 2.343 12.348 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.863 15.197 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.993 14.113 -2.789 1.00 0.00 H new ATOM 0 HG LEU B 125 3.183 14.830 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU B 125 4.954 16.472 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.365 16.900 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU B 125 4.591 16.125 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.551 14.140 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.240 13.709 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.428 12.816 -5.088 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.243 13.220 -2.642 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.098 12.764 -1.541 1.00 0.00 C ATOM 1914 C ALA B 126 -1.806 11.425 -1.826 1.00 0.00 C ATOM 1915 O ALA B 126 -2.067 10.676 -0.879 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.104 13.875 -1.228 1.00 0.00 C ATOM 0 H ALA B 126 -0.575 14.074 -3.090 1.00 0.00 H new ATOM 0 HA ALA B 126 -0.466 12.565 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.752 13.559 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.569 14.779 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.708 14.079 -2.112 1.00 0.00 H new ATOM 1922 N THR B 127 -2.096 11.109 -3.097 1.00 0.00 N ATOM 1923 CA THR B 127 -2.551 9.781 -3.547 1.00 0.00 C ATOM 1924 C THR B 127 -1.413 8.763 -3.493 1.00 0.00 C ATOM 1925 O THR B 127 -1.563 7.728 -2.848 1.00 0.00 O ATOM 1926 CB THR B 127 -3.166 9.892 -4.948 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.345 10.646 -4.846 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.530 8.545 -5.568 1.00 0.00 C ATOM 0 H THR B 127 -2.020 11.783 -3.859 1.00 0.00 H new ATOM 0 HA THR B 127 -3.323 9.418 -2.869 1.00 0.00 H new ATOM 0 HB THR B 127 -2.416 10.354 -5.590 1.00 0.00 H new ATOM 0 HG1 THR B 127 -5.034 10.256 -5.423 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.959 8.704 -6.557 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.634 7.931 -5.655 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.257 8.037 -4.934 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.269 9.051 -4.127 1.00 0.00 N ATOM 1937 CA LEU B 128 0.898 8.154 -4.182 1.00 0.00 C ATOM 1938 C LEU B 128 1.422 7.773 -2.788 1.00 0.00 C ATOM 1939 O LEU B 128 1.763 6.612 -2.551 1.00 0.00 O ATOM 1940 CB LEU B 128 2.010 8.837 -5.004 1.00 0.00 C ATOM 1941 CG LEU B 128 1.758 8.905 -6.524 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.785 9.845 -7.173 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.857 7.515 -7.173 1.00 0.00 C ATOM 0 H LEU B 128 -0.124 9.929 -4.626 1.00 0.00 H new ATOM 0 HA LEU B 128 0.586 7.224 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.145 9.851 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.946 8.306 -4.831 1.00 0.00 H new ATOM 0 HG LEU B 128 0.748 9.284 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.607 9.893 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.687 10.842 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.791 9.468 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.674 7.600 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.853 7.106 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.114 6.853 -6.729 1.00 0.00 H new ATOM 1955 N LYS B 129 1.416 8.721 -1.847 1.00 0.00 N ATOM 1956 CA LYS B 129 1.754 8.543 -0.428 1.00 0.00 C ATOM 1957 C LYS B 129 1.087 7.307 0.209 1.00 0.00 C ATOM 1958 O LYS B 129 1.716 6.620 1.015 1.00 0.00 O ATOM 1959 CB LYS B 129 1.320 9.838 0.281 1.00 0.00 C ATOM 1960 CG LYS B 129 1.594 9.872 1.792 1.00 0.00 C ATOM 1961 CD LYS B 129 1.011 11.131 2.446 1.00 0.00 C ATOM 1962 CE LYS B 129 -0.527 11.118 2.438 1.00 0.00 C ATOM 1963 NZ LYS B 129 -1.083 12.283 3.158 1.00 0.00 N ATOM 0 H LYS B 129 1.162 9.685 -2.064 1.00 0.00 H new ATOM 0 HA LYS B 129 2.824 8.360 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS B 129 1.833 10.679 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS B 129 0.252 9.984 0.117 1.00 0.00 H new ATOM 0 HG2 LYS B 129 1.164 8.986 2.260 1.00 0.00 H new ATOM 0 HG3 LYS B 129 2.669 9.835 1.968 1.00 0.00 H new ATOM 0 HD2 LYS B 129 1.369 11.206 3.473 1.00 0.00 H new ATOM 0 HD3 LYS B 129 1.370 12.014 1.918 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -0.886 11.120 1.409 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -0.886 10.198 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -2.122 12.243 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -0.759 12.267 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -0.759 13.160 2.702 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.153 6.976 -0.178 1.00 0.00 N ATOM 1978 CA LYS B 130 -0.942 5.862 0.382 1.00 0.00 C ATOM 1979 C LYS B 130 -0.349 4.467 0.092 1.00 0.00 C ATOM 1980 O LYS B 130 -0.733 3.489 0.737 1.00 0.00 O ATOM 1981 CB LYS B 130 -2.390 5.948 -0.131 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.078 7.284 0.194 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.488 7.368 -0.400 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.481 6.438 0.308 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.836 6.545 -0.278 1.00 0.00 N ATOM 0 H LYS B 130 -0.650 7.487 -0.907 1.00 0.00 H new ATOM 0 HA LYS B 130 -0.915 5.974 1.466 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.394 5.800 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -2.970 5.134 0.304 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.133 7.409 1.275 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -2.474 8.105 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.846 8.395 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -4.448 7.113 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -5.132 5.408 0.235 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.521 6.686 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -7.483 5.903 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -7.178 7.523 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -6.801 6.284 -1.284 1.00 0.00 H new ATOM 1999 N THR B 131 0.632 4.360 -0.818 1.00 0.00 N ATOM 2000 CA THR B 131 1.476 3.159 -1.003 1.00 0.00 C ATOM 2001 C THR B 131 2.360 2.842 0.210 1.00 0.00 C ATOM 2002 O THR B 131 2.929 1.758 0.271 1.00 0.00 O ATOM 2003 CB THR B 131 2.362 3.286 -2.247 1.00 0.00 C ATOM 2004 OG1 THR B 131 3.224 4.391 -2.109 1.00 0.00 O ATOM 2005 CG2 THR B 131 1.561 3.422 -3.543 1.00 0.00 C ATOM 0 H THR B 131 0.869 5.117 -1.460 1.00 0.00 H new ATOM 0 HA THR B 131 0.775 2.333 -1.128 1.00 0.00 H new ATOM 0 HB THR B 131 2.935 2.361 -2.320 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.793 5.190 -2.477 1.00 0.00 H new ATOM 0 HG21 THR B 131 2.246 3.508 -4.387 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.931 2.542 -3.675 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.935 4.313 -3.492 1.00 0.00 H new ATOM 2013 N GLY B 132 2.502 3.785 1.150 1.00 0.00 N ATOM 2014 CA GLY B 132 3.366 3.700 2.333 1.00 0.00 C ATOM 2015 C GLY B 132 4.856 3.835 2.008 1.00 0.00 C ATOM 2016 O GLY B 132 5.695 3.654 2.891 1.00 0.00 O ATOM 0 H GLY B 132 1.994 4.668 1.104 1.00 0.00 H new ATOM 0 HA2 GLY B 132 3.083 4.482 3.038 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.195 2.745 2.831 1.00 0.00 H new ATOM 2020 N LYS B 133 5.183 4.202 0.766 1.00 0.00 N ATOM 2021 CA LYS B 133 6.535 4.451 0.267 1.00 0.00 C ATOM 2022 C LYS B 133 6.810 5.965 0.224 1.00 0.00 C ATOM 2023 O LYS B 133 5.952 6.712 -0.245 1.00 0.00 O ATOM 2024 CB LYS B 133 6.660 3.861 -1.153 1.00 0.00 C ATOM 2025 CG LYS B 133 6.188 2.412 -1.370 1.00 0.00 C ATOM 2026 CD LYS B 133 6.704 1.370 -0.366 1.00 0.00 C ATOM 2027 CE LYS B 133 6.327 -0.018 -0.901 1.00 0.00 C ATOM 2028 NZ LYS B 133 6.743 -1.120 0.002 1.00 0.00 N ATOM 0 H LYS B 133 4.474 4.340 0.046 1.00 0.00 H new ATOM 0 HA LYS B 133 7.261 3.980 0.930 1.00 0.00 H new ATOM 0 HB2 LYS B 133 6.099 4.502 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.707 3.921 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS B 133 5.098 2.400 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS B 133 6.488 2.101 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.784 1.454 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS B 133 6.262 1.534 0.617 1.00 0.00 H new ATOM 0 HE2 LYS B 133 5.248 -0.064 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS B 133 6.788 -0.162 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 7.182 -1.879 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 7.429 -0.760 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.910 -1.494 0.500 1.00 0.00 H new ATOM 2042 N THR B 134 8.002 6.406 0.653 1.00 0.00 N ATOM 2043 CA THR B 134 8.434 7.818 0.653 1.00 0.00 C ATOM 2044 C THR B 134 8.423 8.386 -0.765 1.00 0.00 C ATOM 2045 O THR B 134 9.359 8.146 -1.529 1.00 0.00 O ATOM 2046 CB THR B 134 9.825 7.953 1.282 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.801 7.360 2.559 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.262 9.406 1.467 1.00 0.00 C ATOM 0 H THR B 134 8.714 5.775 1.020 1.00 0.00 H new ATOM 0 HA THR B 134 7.729 8.393 1.253 1.00 0.00 H new ATOM 0 HB THR B 134 10.527 7.468 0.604 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.686 7.438 2.972 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.255 9.433 1.917 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.289 9.904 0.498 1.00 0.00 H new ATOM 0 HG23 THR B 134 9.555 9.919 2.119 1.00 0.00 H new ATOM 2056 N VAL B 135 7.365 9.117 -1.116 1.00 0.00 N ATOM 2057 CA VAL B 135 7.185 9.699 -2.460 1.00 0.00 C ATOM 2058 C VAL B 135 7.972 11.004 -2.640 1.00 0.00 C ATOM 2059 O VAL B 135 7.979 11.869 -1.762 1.00 0.00 O ATOM 2060 CB VAL B 135 5.690 9.875 -2.837 1.00 0.00 C ATOM 2061 CG1 VAL B 135 4.952 10.963 -2.037 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.527 10.183 -4.337 1.00 0.00 C ATOM 0 H VAL B 135 6.599 9.328 -0.476 1.00 0.00 H new ATOM 0 HA VAL B 135 7.603 8.975 -3.160 1.00 0.00 H new ATOM 0 HB VAL B 135 5.234 8.918 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL B 135 3.914 11.016 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL B 135 4.983 10.718 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL B 135 5.435 11.926 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.469 10.301 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.057 11.104 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.939 9.362 -4.924 1.00 0.00 H new ATOM 2072 N SER B 136 8.584 11.169 -3.813 1.00 0.00 N ATOM 2073 CA SER B 136 9.198 12.420 -4.279 1.00 0.00 C ATOM 2074 C SER B 136 8.913 12.638 -5.777 1.00 0.00 C ATOM 2075 O SER B 136 8.941 11.691 -6.563 1.00 0.00 O ATOM 2076 CB SER B 136 10.722 12.388 -4.049 1.00 0.00 C ATOM 2077 OG SER B 136 11.074 12.450 -2.672 1.00 0.00 O ATOM 0 H SER B 136 8.671 10.411 -4.491 1.00 0.00 H new ATOM 0 HA SER B 136 8.764 13.242 -3.710 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.131 11.476 -4.483 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.182 13.225 -4.575 1.00 0.00 H new ATOM 0 HG SER B 136 10.276 12.301 -2.123 1.00 0.00 H new ATOM 2083 N TYR B 137 8.677 13.882 -6.209 1.00 0.00 N ATOM 2084 CA TYR B 137 8.688 14.238 -7.637 1.00 0.00 C ATOM 2085 C TYR B 137 10.133 14.322 -8.160 1.00 0.00 C ATOM 2086 O TYR B 137 10.986 14.924 -7.500 1.00 0.00 O ATOM 2087 CB TYR B 137 7.945 15.563 -7.861 1.00 0.00 C ATOM 2088 CG TYR B 137 8.165 16.173 -9.237 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.477 15.697 -10.371 1.00 0.00 C ATOM 2090 CD2 TYR B 137 9.118 17.196 -9.386 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.716 16.270 -11.639 1.00 0.00 C ATOM 2092 CE2 TYR B 137 9.365 17.766 -10.645 1.00 0.00 C ATOM 2093 CZ TYR B 137 8.649 17.323 -11.774 1.00 0.00 C ATOM 2094 OH TYR B 137 8.873 17.923 -12.973 1.00 0.00 O ATOM 0 H TYR B 137 8.475 14.665 -5.588 1.00 0.00 H new ATOM 0 HA TYR B 137 8.171 13.458 -8.196 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.878 15.398 -7.715 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.263 16.279 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.765 14.891 -10.270 1.00 0.00 H new ATOM 0 HD2 TYR B 137 9.665 17.547 -8.524 1.00 0.00 H new ATOM 0 HE1 TYR B 137 7.186 15.904 -12.506 1.00 0.00 H new ATOM 0 HE2 TYR B 137 10.105 18.546 -10.748 1.00 0.00 H new ATOM 0 HH TYR B 137 9.548 18.625 -12.866 1.00 0.00 H new ATOM 2104 N LEU B 138 10.392 13.775 -9.354 1.00 0.00 N ATOM 2105 CA LEU B 138 11.695 13.764 -10.025 1.00 0.00 C ATOM 2106 C LEU B 138 11.540 13.950 -11.546 1.00 0.00 C ATOM 2107 O LEU B 138 11.756 13.019 -12.326 1.00 0.00 O ATOM 2108 CB LEU B 138 12.475 12.474 -9.682 1.00 0.00 C ATOM 2109 CG LEU B 138 13.018 12.357 -8.242 1.00 0.00 C ATOM 2110 CD1 LEU B 138 13.775 11.028 -8.118 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.988 13.490 -7.867 1.00 0.00 C ATOM 0 H LEU B 138 9.668 13.309 -9.901 1.00 0.00 H new ATOM 0 HA LEU B 138 12.276 14.609 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.823 11.621 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU B 138 13.316 12.391 -10.371 1.00 0.00 H new ATOM 0 HG LEU B 138 12.163 12.416 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU B 138 14.167 10.926 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU B 138 13.096 10.202 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU B 138 14.600 11.011 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU B 138 14.333 13.349 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.843 13.476 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.476 14.449 -7.949 1.00 0.00 H new ATOM 2123 N GLY B 139 11.227 15.176 -11.969 1.00 0.00 N ATOM 2124 CA GLY B 139 11.569 15.691 -13.301 1.00 0.00 C ATOM 2125 C GLY B 139 10.605 15.379 -14.451 1.00 0.00 C ATOM 2126 O GLY B 139 9.495 14.866 -14.278 1.00 0.00 O ATOM 0 H GLY B 139 10.723 15.849 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY B 139 11.665 16.774 -13.228 1.00 0.00 H new ATOM 0 HA3 GLY B 139 12.551 15.301 -13.570 1.00 0.00 H new ATOM 2130 N LEU B 140 11.065 15.760 -15.648 1.00 0.00 N ATOM 2131 CA LEU B 140 10.340 15.719 -16.921 1.00 0.00 C ATOM 2132 C LEU B 140 10.583 14.408 -17.694 1.00 0.00 C ATOM 2133 O LEU B 140 11.634 13.778 -17.556 1.00 0.00 O ATOM 2134 CB LEU B 140 10.792 16.959 -17.722 1.00 0.00 C ATOM 2135 CG LEU B 140 9.999 17.271 -19.006 1.00 0.00 C ATOM 2136 CD1 LEU B 140 8.519 17.534 -18.705 1.00 0.00 C ATOM 2137 CD2 LEU B 140 10.596 18.509 -19.688 1.00 0.00 C ATOM 0 H LEU B 140 12.010 16.127 -15.760 1.00 0.00 H new ATOM 0 HA LEU B 140 9.264 15.741 -16.748 1.00 0.00 H new ATOM 0 HB2 LEU B 140 10.737 17.828 -17.066 1.00 0.00 H new ATOM 0 HB3 LEU B 140 11.840 16.829 -17.991 1.00 0.00 H new ATOM 0 HG LEU B 140 10.068 16.402 -19.661 1.00 0.00 H new ATOM 0 HD11 LEU B 140 7.992 17.750 -19.634 1.00 0.00 H new ATOM 0 HD12 LEU B 140 8.081 16.653 -18.236 1.00 0.00 H new ATOM 0 HD13 LEU B 140 8.431 18.386 -18.031 1.00 0.00 H new ATOM 0 HD21 LEU B 140 10.035 18.730 -20.596 1.00 0.00 H new ATOM 0 HD22 LEU B 140 10.539 19.361 -19.010 1.00 0.00 H new ATOM 0 HD23 LEU B 140 11.638 18.317 -19.943 1.00 0.00 H new ATOM 2149 N GLU B 141 9.628 14.015 -18.543 1.00 0.00 N ATOM 2150 CA GLU B 141 9.681 12.804 -19.388 1.00 0.00 C ATOM 2151 C GLU B 141 10.343 13.083 -20.747 1.00 0.00 C ATOM 2152 O GLU B 141 11.517 12.694 -20.945 1.00 0.00 O ATOM 2153 CB GLU B 141 8.253 12.226 -19.506 1.00 0.00 C ATOM 2154 CG GLU B 141 8.195 10.702 -19.687 1.00 0.00 C ATOM 2155 CD GLU B 141 8.697 10.204 -21.048 1.00 0.00 C ATOM 2156 OE1 GLU B 141 7.963 10.347 -22.057 1.00 0.00 O ATOM 2157 OE2 GLU B 141 9.789 9.586 -21.102 1.00 0.00 O ATOM 2158 OXT GLU B 141 9.714 13.739 -21.607 1.00 0.00 O ATOM 0 H GLU B 141 8.766 14.545 -18.670 1.00 0.00 H new ATOM 0 HA GLU B 141 10.317 12.051 -18.922 1.00 0.00 H new ATOM 0 HB2 GLU B 141 7.691 12.494 -18.611 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.752 12.699 -20.351 1.00 0.00 H new ATOM 0 HG2 GLU B 141 8.787 10.233 -18.901 1.00 0.00 H new ATOM 0 HG3 GLU B 141 7.165 10.371 -19.550 1.00 0.00 H new