USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 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 112 LYS NZ :NH3+ -105:sc= 0.793 (180deg=-0.0236) USER MOD Set 1.2: B 114 CYS SG : rot -170:sc= 0.673 USER MOD Set 2.1: B 97 ASN : amide:sc= 1.16 K(o=1.1,f=-0.005) USER MOD Set 2.2: B 104 TYR OH : rot -15:sc=-0.00588 USER MOD Set 3.1: A 21 THR OG1 : rot -84:sc= 1.41 USER MOD Set 3.2: B 88 CYS SG : rot 80:sc= 0.827 USER MOD Set 3.3: B 133 LYS NZ :NH3+ -140:sc= 0.56 (180deg=-0.043) USER MOD Set 4.1: A 17 SER OG : rot 123:sc= 1.24 USER MOD Set 4.2: B 84 THR OG1 : rot 14:sc= 2.15 USER MOD Set 4.3: B 85 CYS SG : rot 110:sc= -7.44! USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 57 THR OG1 : rot -150:sc= 0.368 USER MOD Set 6.1: A 4 ASN : amide:sc= -0.0921 K(o=-0.033,f=-0.63) USER MOD Set 6.2: A 48 TYR OH : rot -21:sc= 0.0594 USER MOD Set 7.1: A 25 GLN : amide:sc= 0.205 K(o=0.16,f=-3.8!) USER MOD Set 7.2: A 65 MET CE :methyl 173:sc= -0.0479 (180deg=-0.171) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -155:sc= 1.23 USER MOD Single : A 13 MET CE :methyl -148:sc= -0.0844 (180deg=-0.482) USER MOD Single : A 14 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.32) 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= 0.593 K(o=0.59,f=-1.9!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.316 K(o=-0.32,f=-6!) USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.179) USER MOD Single : A 59 GLN : amide:sc= 0.106 K(o=0.11,f=-2.3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=-0.015) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 74 MET CE :methyl -168:sc= 0 (180deg=-0.164) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 HIS : no HE2:sc= -0.474 X(o=-0.47,f=-0.3) 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= 1.25 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ 165:sc= 1.06 (180deg=0.526) USER MOD Single : B 110 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 180:sc= 0.0237 USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl -169:sc= -0.214 (180deg=-0.473) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot -170: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= 1.22 (180deg=1.22) USER MOD Single : B 131 THR OG1 : rot 87:sc= 1.23 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -7.110 -8.857 27.903 1.00 0.00 N ATOM 21 CA GLY A 2 -5.802 -9.445 27.561 1.00 0.00 C ATOM 22 C GLY A 2 -5.677 -9.660 26.049 1.00 0.00 C ATOM 23 O GLY A 2 -6.441 -9.060 25.295 1.00 0.00 O ATOM 0 HA2 GLY A 2 -5.003 -8.789 27.906 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.680 -10.396 28.079 1.00 0.00 H new ATOM 27 N VAL A 3 -4.733 -10.488 25.593 1.00 0.00 N ATOM 28 CA VAL A 3 -4.495 -10.692 24.144 1.00 0.00 C ATOM 29 C VAL A 3 -5.730 -11.234 23.399 1.00 0.00 C ATOM 30 O VAL A 3 -6.416 -12.146 23.871 1.00 0.00 O ATOM 31 CB VAL A 3 -3.253 -11.559 23.812 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.953 -10.836 24.199 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.267 -12.966 24.432 1.00 0.00 C ATOM 0 H VAL A 3 -4.117 -11.031 26.198 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.285 -9.686 23.780 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.297 -11.701 22.732 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.099 -11.468 23.955 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.880 -9.898 23.648 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.957 -10.629 25.269 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.360 -13.499 24.146 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.313 -12.885 25.518 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.138 -13.513 24.072 1.00 0.00 H new ATOM 43 N ASN A 4 -5.987 -10.657 22.220 1.00 0.00 N ATOM 44 CA ASN A 4 -6.976 -11.088 21.228 1.00 0.00 C ATOM 45 C ASN A 4 -6.315 -11.038 19.833 1.00 0.00 C ATOM 46 O ASN A 4 -5.531 -10.133 19.543 1.00 0.00 O ATOM 47 CB ASN A 4 -8.204 -10.159 21.352 1.00 0.00 C ATOM 48 CG ASN A 4 -9.400 -10.458 20.444 1.00 0.00 C ATOM 49 OD1 ASN A 4 -10.188 -9.569 20.128 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.633 -11.681 20.014 1.00 0.00 N ATOM 0 H ASN A 4 -5.479 -9.827 21.915 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.316 -12.111 21.389 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.548 -10.190 22.386 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.877 -9.138 21.155 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.451 -11.871 19.434 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.996 -12.438 20.261 1.00 0.00 H new ATOM 57 N SER A 5 -6.575 -12.007 18.955 1.00 0.00 N ATOM 58 CA SER A 5 -5.803 -12.149 17.713 1.00 0.00 C ATOM 59 C SER A 5 -6.632 -12.595 16.504 1.00 0.00 C ATOM 60 O SER A 5 -7.760 -13.086 16.633 1.00 0.00 O ATOM 61 CB SER A 5 -4.607 -13.089 17.956 1.00 0.00 C ATOM 62 OG SER A 5 -4.980 -14.418 18.277 1.00 0.00 O ATOM 0 H SER A 5 -7.310 -12.704 19.077 1.00 0.00 H new ATOM 0 HA SER A 5 -5.444 -11.154 17.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.981 -13.103 17.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.999 -12.686 18.766 1.00 0.00 H new ATOM 0 HG SER A 5 -4.175 -14.959 18.416 1.00 0.00 H new ATOM 68 N VAL A 6 -6.060 -12.443 15.304 1.00 0.00 N ATOM 69 CA VAL A 6 -6.701 -12.862 14.049 1.00 0.00 C ATOM 70 C VAL A 6 -5.666 -13.264 12.991 1.00 0.00 C ATOM 71 O VAL A 6 -4.590 -12.669 12.901 1.00 0.00 O ATOM 72 CB VAL A 6 -7.718 -11.799 13.547 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.063 -10.540 12.957 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.702 -12.394 12.528 1.00 0.00 C ATOM 0 H VAL A 6 -5.138 -12.026 15.174 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.282 -13.762 14.252 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.261 -11.488 14.440 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.837 -9.847 12.629 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.445 -10.061 13.717 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.441 -10.818 12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.397 -11.621 12.200 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.150 -12.774 11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.258 -13.209 12.992 1.00 0.00 H new ATOM 84 N THR A 7 -6.023 -14.280 12.196 1.00 0.00 N ATOM 85 CA THR A 7 -5.362 -14.653 10.939 1.00 0.00 C ATOM 86 C THR A 7 -6.233 -14.155 9.792 1.00 0.00 C ATOM 87 O THR A 7 -7.428 -14.445 9.732 1.00 0.00 O ATOM 88 CB THR A 7 -5.142 -16.170 10.848 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.265 -16.582 11.873 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.477 -16.578 9.530 1.00 0.00 C ATOM 0 H THR A 7 -6.811 -14.888 12.419 1.00 0.00 H new ATOM 0 HA THR A 7 -4.374 -14.195 10.889 1.00 0.00 H new ATOM 0 HB THR A 7 -6.126 -16.633 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.126 -17.550 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.341 -17.659 9.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.109 -16.276 8.695 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.507 -16.089 9.445 1.00 0.00 H new ATOM 98 N ILE A 8 -5.641 -13.403 8.871 1.00 0.00 N ATOM 99 CA ILE A 8 -6.275 -12.824 7.680 1.00 0.00 C ATOM 100 C ILE A 8 -5.520 -13.328 6.444 1.00 0.00 C ATOM 101 O ILE A 8 -4.303 -13.212 6.348 1.00 0.00 O ATOM 102 CB ILE A 8 -6.302 -11.273 7.808 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.383 -10.864 8.836 1.00 0.00 C ATOM 104 CG2 ILE A 8 -6.583 -10.566 6.468 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.345 -9.404 9.308 1.00 0.00 C ATOM 0 H ILE A 8 -4.651 -13.165 8.934 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.314 -13.137 7.580 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.311 -10.960 8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.363 -11.059 8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.289 -11.510 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.590 -9.487 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.806 -10.826 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.553 -10.884 6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.147 -9.233 10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.385 -9.200 9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.476 -8.741 8.452 1.00 0.00 H new ATOM 117 N SER A 9 -6.233 -13.876 5.468 1.00 0.00 N ATOM 118 CA SER A 9 -5.676 -14.050 4.128 1.00 0.00 C ATOM 119 C SER A 9 -5.710 -12.684 3.433 1.00 0.00 C ATOM 120 O SER A 9 -6.796 -12.156 3.185 1.00 0.00 O ATOM 121 CB SER A 9 -6.479 -15.088 3.338 1.00 0.00 C ATOM 122 OG SER A 9 -5.821 -15.374 2.119 1.00 0.00 O ATOM 0 H SER A 9 -7.192 -14.206 5.575 1.00 0.00 H new ATOM 0 HA SER A 9 -4.651 -14.417 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.590 -16.000 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.483 -14.712 3.141 1.00 0.00 H new ATOM 0 HG SER A 9 -6.474 -15.694 1.462 1.00 0.00 H new ATOM 128 N VAL A 10 -4.550 -12.093 3.136 1.00 0.00 N ATOM 129 CA VAL A 10 -4.403 -10.853 2.380 1.00 0.00 C ATOM 130 C VAL A 10 -4.268 -11.236 0.904 1.00 0.00 C ATOM 131 O VAL A 10 -3.198 -11.192 0.302 1.00 0.00 O ATOM 132 CB VAL A 10 -3.239 -9.983 2.889 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.638 -9.207 4.154 1.00 0.00 C ATOM 134 CG2 VAL A 10 -1.952 -10.766 3.164 1.00 0.00 C ATOM 0 H VAL A 10 -3.654 -12.483 3.428 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.281 -10.222 2.517 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.027 -9.291 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.796 -8.602 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.485 -8.558 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.916 -9.910 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.180 -10.084 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.143 -11.525 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.616 -11.248 2.246 1.00 0.00 H new ATOM 144 N GLU A 11 -5.397 -11.692 0.367 1.00 0.00 N ATOM 145 CA GLU A 11 -5.587 -12.314 -0.948 1.00 0.00 C ATOM 146 C GLU A 11 -4.881 -11.612 -2.133 1.00 0.00 C ATOM 147 O GLU A 11 -4.545 -12.292 -3.109 1.00 0.00 O ATOM 148 CB GLU A 11 -7.102 -12.386 -1.236 1.00 0.00 C ATOM 149 CG GLU A 11 -7.895 -13.351 -0.332 1.00 0.00 C ATOM 150 CD GLU A 11 -7.610 -14.829 -0.611 1.00 0.00 C ATOM 151 OE1 GLU A 11 -7.328 -15.196 -1.772 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.662 -15.662 0.326 1.00 0.00 O ATOM 0 H GLU A 11 -6.277 -11.633 0.880 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.119 -13.296 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.524 -11.386 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.245 -12.686 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.659 -13.135 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.961 -13.164 -0.463 1.00 0.00 H new ATOM 159 N GLY A 12 -4.643 -10.292 -2.077 1.00 0.00 N ATOM 160 CA GLY A 12 -3.960 -9.520 -3.135 1.00 0.00 C ATOM 161 C GLY A 12 -2.460 -9.251 -2.915 1.00 0.00 C ATOM 162 O GLY A 12 -1.761 -8.899 -3.866 1.00 0.00 O ATOM 0 H GLY A 12 -4.924 -9.718 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.078 -10.052 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.468 -8.562 -3.243 1.00 0.00 H new ATOM 166 N MET A 13 -1.957 -9.395 -1.682 1.00 0.00 N ATOM 167 CA MET A 13 -0.583 -9.049 -1.274 1.00 0.00 C ATOM 168 C MET A 13 0.389 -10.215 -1.527 1.00 0.00 C ATOM 169 O MET A 13 0.465 -11.163 -0.743 1.00 0.00 O ATOM 170 CB MET A 13 -0.594 -8.639 0.207 1.00 0.00 C ATOM 171 CG MET A 13 0.745 -8.026 0.647 1.00 0.00 C ATOM 172 SD MET A 13 0.985 -8.024 2.440 1.00 0.00 S ATOM 173 CE MET A 13 1.473 -9.757 2.646 1.00 0.00 C ATOM 0 H MET A 13 -2.512 -9.768 -0.912 1.00 0.00 H new ATOM 0 HA MET A 13 -0.229 -8.213 -1.876 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.395 -7.920 0.378 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.813 -9.512 0.823 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.560 -8.580 0.180 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.804 -7.002 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.131 -10.119 3.616 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.023 -10.358 1.856 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.559 -9.838 2.591 1.00 0.00 H new ATOM 183 N THR A 14 1.191 -10.093 -2.590 1.00 0.00 N ATOM 184 CA THR A 14 2.375 -10.914 -2.878 1.00 0.00 C ATOM 185 C THR A 14 3.340 -10.090 -3.729 1.00 0.00 C ATOM 186 O THR A 14 2.892 -9.342 -4.596 1.00 0.00 O ATOM 187 CB THR A 14 2.008 -12.286 -3.434 1.00 0.00 C ATOM 188 OG1 THR A 14 3.143 -13.113 -3.352 1.00 0.00 O ATOM 189 CG2 THR A 14 1.530 -12.202 -4.869 1.00 0.00 C ATOM 0 H THR A 14 1.026 -9.387 -3.307 1.00 0.00 H new ATOM 0 HA THR A 14 2.901 -11.166 -1.957 1.00 0.00 H new ATOM 0 HB THR A 14 1.188 -12.698 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.267 -13.407 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.279 -13.200 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.647 -11.564 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.320 -11.781 -5.491 1.00 0.00 H new ATOM 197 N CYS A 15 4.634 -10.144 -3.409 1.00 0.00 N ATOM 198 CA CYS A 15 5.578 -9.039 -3.606 1.00 0.00 C ATOM 199 C CYS A 15 7.059 -9.476 -3.380 1.00 0.00 C ATOM 200 O CYS A 15 7.439 -10.621 -3.650 1.00 0.00 O ATOM 201 CB CYS A 15 5.102 -7.945 -2.623 1.00 0.00 C ATOM 202 SG CYS A 15 5.854 -6.331 -2.961 1.00 0.00 S ATOM 0 H CYS A 15 5.065 -10.972 -2.998 1.00 0.00 H new ATOM 0 HA CYS A 15 5.581 -8.673 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.017 -7.856 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.342 -8.248 -1.604 1.00 0.00 H new ATOM 207 N ASN A 16 7.850 -8.568 -2.809 1.00 0.00 N ATOM 208 CA ASN A 16 9.063 -8.799 -2.022 1.00 0.00 C ATOM 209 C ASN A 16 9.189 -7.806 -0.841 1.00 0.00 C ATOM 210 O ASN A 16 9.852 -8.143 0.144 1.00 0.00 O ATOM 211 CB ASN A 16 10.297 -8.713 -2.936 1.00 0.00 C ATOM 212 CG ASN A 16 11.567 -9.242 -2.275 1.00 0.00 C ATOM 213 OD1 ASN A 16 12.439 -8.487 -1.860 1.00 0.00 O ATOM 214 ND2 ASN A 16 11.710 -10.547 -2.148 1.00 0.00 N ATOM 0 H ASN A 16 7.643 -7.572 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 16 8.998 -9.798 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.107 -9.278 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.453 -7.675 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.546 -10.928 -1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.985 -11.176 -2.493 1.00 0.00 H new ATOM 221 N SER A 17 8.559 -6.619 -0.889 1.00 0.00 N ATOM 222 CA SER A 17 8.767 -5.544 0.108 1.00 0.00 C ATOM 223 C SER A 17 7.496 -4.804 0.588 1.00 0.00 C ATOM 224 O SER A 17 7.584 -4.019 1.535 1.00 0.00 O ATOM 225 CB SER A 17 9.772 -4.508 -0.423 1.00 0.00 C ATOM 226 OG SER A 17 10.997 -5.099 -0.832 1.00 0.00 O ATOM 0 H SER A 17 7.890 -6.374 -1.619 1.00 0.00 H new ATOM 0 HA SER A 17 9.148 -6.070 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.330 -3.976 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.970 -3.768 0.353 1.00 0.00 H new ATOM 0 HG SER A 17 11.172 -4.874 -1.770 1.00 0.00 H new ATOM 232 N CYS A 18 6.310 -5.060 0.017 1.00 0.00 N ATOM 233 CA CYS A 18 5.011 -4.485 0.389 1.00 0.00 C ATOM 234 C CYS A 18 4.666 -4.693 1.891 1.00 0.00 C ATOM 235 O CYS A 18 3.982 -3.878 2.501 1.00 0.00 O ATOM 236 CB CYS A 18 4.031 -5.134 -0.610 1.00 0.00 C ATOM 237 SG CYS A 18 4.583 -4.772 -2.309 1.00 0.00 S ATOM 0 H CYS A 18 6.228 -5.713 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 18 4.979 -3.398 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.989 -6.211 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.023 -4.749 -0.452 1.00 0.00 H new ATOM 242 N VAL A 19 5.223 -5.744 2.491 1.00 0.00 N ATOM 243 CA VAL A 19 5.135 -6.104 3.921 1.00 0.00 C ATOM 244 C VAL A 19 5.572 -4.986 4.888 1.00 0.00 C ATOM 245 O VAL A 19 4.965 -4.829 5.950 1.00 0.00 O ATOM 246 CB VAL A 19 5.940 -7.392 4.224 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.199 -8.601 3.634 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.382 -7.362 3.676 1.00 0.00 C ATOM 0 H VAL A 19 5.785 -6.414 1.966 1.00 0.00 H new ATOM 0 HA VAL A 19 4.073 -6.273 4.100 1.00 0.00 H new ATOM 0 HB VAL A 19 6.018 -7.466 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.761 -9.511 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.208 -8.675 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.101 -8.477 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.886 -8.296 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.357 -7.241 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.923 -6.528 4.122 1.00 0.00 H new ATOM 258 N TRP A 20 6.564 -4.163 4.513 1.00 0.00 N ATOM 259 CA TRP A 20 7.036 -3.031 5.327 1.00 0.00 C ATOM 260 C TRP A 20 5.917 -2.010 5.599 1.00 0.00 C ATOM 261 O TRP A 20 5.814 -1.485 6.711 1.00 0.00 O ATOM 262 CB TRP A 20 8.227 -2.379 4.606 1.00 0.00 C ATOM 263 CG TRP A 20 8.693 -1.058 5.148 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.664 -0.877 6.072 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.222 0.286 4.803 1.00 0.00 C ATOM 266 NE1 TRP A 20 9.827 0.473 6.323 1.00 0.00 N ATOM 267 CE2 TRP A 20 8.965 1.235 5.565 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.241 0.800 3.925 1.00 0.00 C ATOM 269 CZ2 TRP A 20 8.748 2.618 5.465 1.00 0.00 C ATOM 270 CZ3 TRP A 20 6.998 2.185 3.836 1.00 0.00 C ATOM 271 CH2 TRP A 20 7.751 3.094 4.600 1.00 0.00 C ATOM 0 H TRP A 20 7.065 -4.265 3.630 1.00 0.00 H new ATOM 0 HA TRP A 20 7.351 -3.399 6.303 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.066 -3.075 4.633 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.960 -2.243 3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.228 -1.669 6.543 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.501 0.856 6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.668 0.120 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.341 3.308 6.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 6.227 2.552 3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 20 7.563 4.155 4.521 1.00 0.00 H new ATOM 282 N THR A 21 5.039 -1.792 4.606 1.00 0.00 N ATOM 283 CA THR A 21 3.878 -0.895 4.681 1.00 0.00 C ATOM 284 C THR A 21 2.987 -1.276 5.851 1.00 0.00 C ATOM 285 O THR A 21 2.728 -0.441 6.711 1.00 0.00 O ATOM 286 CB THR A 21 3.087 -0.951 3.369 1.00 0.00 C ATOM 287 OG1 THR A 21 3.956 -0.636 2.299 1.00 0.00 O ATOM 288 CG2 THR A 21 1.928 0.038 3.356 1.00 0.00 C ATOM 0 H THR A 21 5.122 -2.252 3.699 1.00 0.00 H new ATOM 0 HA THR A 21 4.232 0.124 4.836 1.00 0.00 H new ATOM 0 HB THR A 21 2.678 -1.956 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.014 0.337 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.396 -0.037 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.245 -0.191 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.312 1.051 3.477 1.00 0.00 H new ATOM 296 N ILE A 22 2.580 -2.547 5.920 1.00 0.00 N ATOM 297 CA ILE A 22 1.655 -3.039 6.949 1.00 0.00 C ATOM 298 C ILE A 22 2.275 -2.843 8.338 1.00 0.00 C ATOM 299 O ILE A 22 1.602 -2.346 9.234 1.00 0.00 O ATOM 300 CB ILE A 22 1.258 -4.522 6.714 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.501 -4.841 5.399 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.323 -4.981 7.857 1.00 0.00 C ATOM 303 CD1 ILE A 22 1.151 -4.457 4.072 1.00 0.00 C ATOM 0 H ILE A 22 2.883 -3.266 5.263 1.00 0.00 H new ATOM 0 HA ILE A 22 0.735 -2.458 6.886 1.00 0.00 H new ATOM 0 HB ILE A 22 2.216 -5.040 6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.312 -5.914 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.470 -4.348 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.039 -6.022 7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.841 -4.887 8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.572 -4.359 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.497 -4.747 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.313 -3.379 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.107 -4.970 3.973 1.00 0.00 H new ATOM 315 N GLU A 23 3.555 -3.176 8.521 1.00 0.00 N ATOM 316 CA GLU A 23 4.228 -3.019 9.815 1.00 0.00 C ATOM 317 C GLU A 23 4.286 -1.552 10.268 1.00 0.00 C ATOM 318 O GLU A 23 4.068 -1.266 11.446 1.00 0.00 O ATOM 319 CB GLU A 23 5.631 -3.644 9.757 1.00 0.00 C ATOM 320 CG GLU A 23 6.261 -3.711 11.155 1.00 0.00 C ATOM 321 CD GLU A 23 7.495 -4.606 11.208 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.518 -4.302 10.550 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.494 -5.598 11.973 1.00 0.00 O ATOM 0 H GLU A 23 4.150 -3.558 7.786 1.00 0.00 H new ATOM 0 HA GLU A 23 3.639 -3.548 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.569 -4.646 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.268 -3.057 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.534 -2.705 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.520 -4.080 11.864 1.00 0.00 H new ATOM 330 N GLN A 24 4.560 -0.622 9.352 1.00 0.00 N ATOM 331 CA GLN A 24 4.564 0.817 9.640 1.00 0.00 C ATOM 332 C GLN A 24 3.168 1.436 9.838 1.00 0.00 C ATOM 333 O GLN A 24 3.067 2.444 10.538 1.00 0.00 O ATOM 334 CB GLN A 24 5.374 1.562 8.562 1.00 0.00 C ATOM 335 CG GLN A 24 6.891 1.322 8.692 1.00 0.00 C ATOM 336 CD GLN A 24 7.435 1.756 10.055 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.166 2.856 10.535 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.157 0.909 10.756 1.00 0.00 N ATOM 0 H GLN A 24 4.787 -0.845 8.383 1.00 0.00 H new ATOM 0 HA GLN A 24 5.048 0.937 10.609 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.042 1.240 7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.171 2.631 8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.103 0.264 8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.411 1.868 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.387 -0.007 10.370 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.487 1.168 11.686 1.00 0.00 H new ATOM 347 N GLN A 25 2.100 0.871 9.260 1.00 0.00 N ATOM 348 CA GLN A 25 0.715 1.232 9.601 1.00 0.00 C ATOM 349 C GLN A 25 0.312 0.678 10.978 1.00 0.00 C ATOM 350 O GLN A 25 -0.104 1.422 11.869 1.00 0.00 O ATOM 351 CB GLN A 25 -0.268 0.690 8.547 1.00 0.00 C ATOM 352 CG GLN A 25 -0.146 1.294 7.142 1.00 0.00 C ATOM 353 CD GLN A 25 -1.034 0.522 6.166 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.893 -0.678 5.980 1.00 0.00 O ATOM 355 NE2 GLN A 25 -2.010 1.156 5.556 1.00 0.00 N ATOM 0 H GLN A 25 2.170 0.150 8.542 1.00 0.00 H new ATOM 0 HA GLN A 25 0.668 2.321 9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.130 -0.389 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.284 0.857 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.438 2.344 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.892 1.258 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.138 2.157 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.640 0.647 4.936 1.00 0.00 H new ATOM 364 N ILE A 26 0.378 -0.650 11.120 1.00 0.00 N ATOM 365 CA ILE A 26 -0.193 -1.415 12.236 1.00 0.00 C ATOM 366 C ILE A 26 0.594 -1.178 13.524 1.00 0.00 C ATOM 367 O ILE A 26 -0.019 -0.891 14.551 1.00 0.00 O ATOM 368 CB ILE A 26 -0.301 -2.911 11.839 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.246 -3.142 10.633 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.752 -3.811 13.002 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.700 -2.689 10.818 1.00 0.00 C ATOM 0 H ILE A 26 0.847 -1.244 10.437 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.204 -1.066 12.445 1.00 0.00 H new ATOM 0 HB ILE A 26 0.713 -3.191 11.555 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.832 -2.623 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.246 -4.206 10.396 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.808 -4.845 12.661 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.034 -3.737 13.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.733 -3.490 13.351 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.265 -2.901 9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.144 -3.226 11.656 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.725 -1.618 11.019 1.00 0.00 H new ATOM 383 N GLY A 27 1.932 -1.174 13.474 1.00 0.00 N ATOM 384 CA GLY A 27 2.810 -0.985 14.643 1.00 0.00 C ATOM 385 C GLY A 27 2.652 0.362 15.361 1.00 0.00 C ATOM 386 O GLY A 27 3.205 0.547 16.445 1.00 0.00 O ATOM 0 H GLY A 27 2.448 -1.304 12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.616 -1.785 15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.846 -1.089 14.321 1.00 0.00 H new ATOM 390 N LYS A 28 1.887 1.291 14.779 1.00 0.00 N ATOM 391 CA LYS A 28 1.488 2.582 15.349 1.00 0.00 C ATOM 392 C LYS A 28 0.000 2.646 15.759 1.00 0.00 C ATOM 393 O LYS A 28 -0.413 3.666 16.308 1.00 0.00 O ATOM 394 CB LYS A 28 1.864 3.683 14.326 1.00 0.00 C ATOM 395 CG LYS A 28 3.054 4.564 14.749 1.00 0.00 C ATOM 396 CD LYS A 28 4.368 3.844 15.100 1.00 0.00 C ATOM 397 CE LYS A 28 4.893 2.927 13.987 1.00 0.00 C ATOM 398 NZ LYS A 28 6.224 2.371 14.334 1.00 0.00 N ATOM 0 H LYS A 28 1.507 1.154 13.842 1.00 0.00 H new ATOM 0 HA LYS A 28 2.024 2.735 16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.098 3.211 13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.996 4.321 14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.259 5.267 13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.749 5.152 15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.129 4.590 15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.216 3.253 16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.188 2.113 13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.961 3.486 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.554 1.755 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.901 3.149 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.151 1.819 15.212 1.00 0.00 H new ATOM 412 N VAL A 29 -0.808 1.601 15.544 1.00 0.00 N ATOM 413 CA VAL A 29 -2.177 1.541 16.087 1.00 0.00 C ATOM 414 C VAL A 29 -2.083 1.092 17.546 1.00 0.00 C ATOM 415 O VAL A 29 -1.815 -0.066 17.837 1.00 0.00 O ATOM 416 CB VAL A 29 -3.130 0.622 15.287 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.572 0.738 15.817 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.141 0.970 13.792 1.00 0.00 C ATOM 0 H VAL A 29 -0.540 0.783 14.997 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.616 2.535 16.007 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.759 -0.395 15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.225 0.083 15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.599 0.444 16.866 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.914 1.769 15.720 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.823 0.301 13.268 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.471 2.000 13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.136 0.856 13.385 1.00 0.00 H new ATOM 428 N ASN A 30 -2.283 2.050 18.448 1.00 0.00 N ATOM 429 CA ASN A 30 -2.040 2.006 19.903 1.00 0.00 C ATOM 430 C ASN A 30 -2.235 0.652 20.638 1.00 0.00 C ATOM 431 O ASN A 30 -1.479 0.350 21.564 1.00 0.00 O ATOM 432 CB ASN A 30 -2.942 3.079 20.541 1.00 0.00 C ATOM 433 CG ASN A 30 -2.569 3.334 21.995 1.00 0.00 C ATOM 434 OD1 ASN A 30 -2.977 2.609 22.891 1.00 0.00 O ATOM 435 ND2 ASN A 30 -1.762 4.341 22.261 1.00 0.00 N ATOM 0 H ASN A 30 -2.651 2.958 18.164 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.971 2.183 20.023 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.859 4.007 19.976 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.983 2.762 20.482 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.472 4.522 23.222 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.427 4.940 21.506 1.00 0.00 H new ATOM 442 N GLY A 31 -3.230 -0.160 20.249 1.00 0.00 N ATOM 443 CA GLY A 31 -3.570 -1.434 20.897 1.00 0.00 C ATOM 444 C GLY A 31 -2.754 -2.649 20.444 1.00 0.00 C ATOM 445 O GLY A 31 -2.809 -3.677 21.116 1.00 0.00 O ATOM 0 H GLY A 31 -3.834 0.057 19.456 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.446 -1.317 21.974 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.625 -1.641 20.718 1.00 0.00 H new ATOM 449 N VAL A 32 -2.021 -2.590 19.332 1.00 0.00 N ATOM 450 CA VAL A 32 -1.282 -3.753 18.798 1.00 0.00 C ATOM 451 C VAL A 32 -0.265 -4.316 19.794 1.00 0.00 C ATOM 452 O VAL A 32 0.349 -3.575 20.559 1.00 0.00 O ATOM 453 CB VAL A 32 -0.579 -3.486 17.459 1.00 0.00 C ATOM 454 CG1 VAL A 32 -1.628 -3.141 16.402 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.535 -2.428 17.538 1.00 0.00 C ATOM 0 H VAL A 32 -1.918 -1.743 18.773 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.061 -4.495 18.623 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.060 -4.401 17.172 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.135 -2.950 15.449 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.321 -3.975 16.292 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.177 -2.251 16.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.982 -2.296 16.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.114 -1.481 17.875 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.299 -2.756 18.243 1.00 0.00 H new ATOM 465 N HIS A 33 -0.094 -5.635 19.769 1.00 0.00 N ATOM 466 CA HIS A 33 0.904 -6.366 20.551 1.00 0.00 C ATOM 467 C HIS A 33 1.910 -7.123 19.654 1.00 0.00 C ATOM 468 O HIS A 33 3.097 -7.180 19.987 1.00 0.00 O ATOM 469 CB HIS A 33 0.162 -7.311 21.509 1.00 0.00 C ATOM 470 CG HIS A 33 -0.433 -6.611 22.709 1.00 0.00 C ATOM 471 ND1 HIS A 33 -1.368 -5.596 22.714 1.00 0.00 N ATOM 472 CD2 HIS A 33 -0.083 -6.828 24.014 1.00 0.00 C ATOM 473 CE1 HIS A 33 -1.574 -5.215 23.983 1.00 0.00 C ATOM 474 NE2 HIS A 33 -0.793 -5.925 24.816 1.00 0.00 N ATOM 0 H HIS A 33 -0.664 -6.246 19.185 1.00 0.00 H new ATOM 0 HA HIS A 33 1.504 -5.659 21.124 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.634 -7.817 20.963 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.852 -8.081 21.853 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.825 -5.202 21.892 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.620 -7.569 24.365 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.268 -4.447 24.292 1.00 0.00 H new ATOM 482 N HIS A 34 1.494 -7.661 18.501 1.00 0.00 N ATOM 483 CA HIS A 34 2.434 -8.110 17.468 1.00 0.00 C ATOM 484 C HIS A 34 1.801 -8.135 16.066 1.00 0.00 C ATOM 485 O HIS A 34 0.644 -8.536 15.919 1.00 0.00 O ATOM 486 CB HIS A 34 3.030 -9.485 17.824 1.00 0.00 C ATOM 487 CG HIS A 34 4.296 -9.760 17.052 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.400 -10.458 15.872 1.00 0.00 N ATOM 489 CD2 HIS A 34 5.548 -9.296 17.355 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.682 -10.413 15.472 1.00 0.00 C ATOM 491 NE2 HIS A 34 6.432 -9.722 16.354 1.00 0.00 N ATOM 0 H HIS A 34 0.512 -7.796 18.260 1.00 0.00 H new ATOM 0 HA HIS A 34 3.241 -7.378 17.439 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.239 -9.525 18.893 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.298 -10.265 17.613 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.810 -8.703 18.219 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.060 -10.868 14.568 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.435 -9.546 16.303 1.00 0.00 H new ATOM 499 N ILE A 35 2.564 -7.757 15.032 1.00 0.00 N ATOM 500 CA ILE A 35 2.189 -7.920 13.618 1.00 0.00 C ATOM 501 C ILE A 35 3.214 -8.759 12.852 1.00 0.00 C ATOM 502 O ILE A 35 4.414 -8.501 12.901 1.00 0.00 O ATOM 503 CB ILE A 35 1.899 -6.547 12.949 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.460 -6.667 11.468 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.011 -5.497 13.134 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.570 -6.680 10.404 1.00 0.00 C ATOM 0 H ILE A 35 3.478 -7.321 15.156 1.00 0.00 H new ATOM 0 HA ILE A 35 1.256 -8.483 13.580 1.00 0.00 H new ATOM 0 HB ILE A 35 1.043 -6.165 13.505 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.879 -7.583 11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.789 -5.837 11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.724 -4.571 12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.158 -5.306 14.197 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.939 -5.870 12.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.124 -6.768 9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.142 -5.754 10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.233 -7.527 10.580 1.00 0.00 H new ATOM 518 N LYS A 36 2.712 -9.734 12.093 1.00 0.00 N ATOM 519 CA LYS A 36 3.453 -10.529 11.108 1.00 0.00 C ATOM 520 C LYS A 36 2.688 -10.583 9.766 1.00 0.00 C ATOM 521 O LYS A 36 1.459 -10.680 9.766 1.00 0.00 O ATOM 522 CB LYS A 36 3.664 -11.927 11.717 1.00 0.00 C ATOM 523 CG LYS A 36 4.387 -12.908 10.786 1.00 0.00 C ATOM 524 CD LYS A 36 4.559 -14.262 11.480 1.00 0.00 C ATOM 525 CE LYS A 36 5.188 -15.254 10.501 1.00 0.00 C ATOM 526 NZ LYS A 36 5.416 -16.568 11.136 1.00 0.00 N ATOM 0 H LYS A 36 1.730 -10.005 12.150 1.00 0.00 H new ATOM 0 HA LYS A 36 4.421 -10.079 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.236 -11.828 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.694 -12.345 11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.819 -13.033 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.362 -12.507 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.190 -14.154 12.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.593 -14.634 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.537 -15.375 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.135 -14.856 10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.843 -17.218 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.056 -16.455 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.509 -16.958 11.463 1.00 0.00 H new ATOM 540 N VAL A 37 3.389 -10.544 8.632 1.00 0.00 N ATOM 541 CA VAL A 37 2.822 -10.619 7.271 1.00 0.00 C ATOM 542 C VAL A 37 3.753 -11.416 6.350 1.00 0.00 C ATOM 543 O VAL A 37 4.914 -11.063 6.167 1.00 0.00 O ATOM 544 CB VAL A 37 2.522 -9.219 6.669 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.161 -8.701 7.143 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.596 -8.159 6.968 1.00 0.00 C ATOM 0 H VAL A 37 4.405 -10.456 8.628 1.00 0.00 H new ATOM 0 HA VAL A 37 1.866 -11.137 7.351 1.00 0.00 H new ATOM 0 HB VAL A 37 2.519 -9.371 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.974 -7.719 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.379 -9.392 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.160 -8.622 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.309 -7.212 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.689 -8.029 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.552 -8.484 6.558 1.00 0.00 H new ATOM 556 N SER A 38 3.237 -12.502 5.774 1.00 0.00 N ATOM 557 CA SER A 38 3.980 -13.421 4.898 1.00 0.00 C ATOM 558 C SER A 38 3.458 -13.340 3.454 1.00 0.00 C ATOM 559 O SER A 38 2.494 -14.017 3.079 1.00 0.00 O ATOM 560 CB SER A 38 3.884 -14.868 5.411 1.00 0.00 C ATOM 561 OG SER A 38 4.338 -14.990 6.750 1.00 0.00 O ATOM 0 H SER A 38 2.264 -12.778 5.905 1.00 0.00 H new ATOM 0 HA SER A 38 5.027 -13.117 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.850 -15.207 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.474 -15.520 4.767 1.00 0.00 H new ATOM 0 HG SER A 38 4.259 -15.923 7.038 1.00 0.00 H new ATOM 567 N LEU A 39 4.110 -12.520 2.620 1.00 0.00 N ATOM 568 CA LEU A 39 3.786 -12.332 1.196 1.00 0.00 C ATOM 569 C LEU A 39 3.926 -13.610 0.356 1.00 0.00 C ATOM 570 O LEU A 39 3.264 -13.743 -0.673 1.00 0.00 O ATOM 571 CB LEU A 39 4.677 -11.197 0.653 1.00 0.00 C ATOM 572 CG LEU A 39 6.176 -11.563 0.512 1.00 0.00 C ATOM 573 CD1 LEU A 39 6.519 -12.111 -0.880 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.043 -10.317 0.754 1.00 0.00 C ATOM 0 H LEU A 39 4.901 -11.952 2.924 1.00 0.00 H new ATOM 0 HA LEU A 39 2.732 -12.067 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.298 -10.891 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.588 -10.335 1.314 1.00 0.00 H new ATOM 0 HG LEU A 39 6.378 -12.338 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.581 -12.351 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.935 -13.011 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.285 -11.360 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.096 -10.581 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.790 -9.550 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.859 -9.935 1.758 1.00 0.00 H new ATOM 586 N GLU A 40 4.786 -14.538 0.784 1.00 0.00 N ATOM 587 CA GLU A 40 5.058 -15.805 0.098 1.00 0.00 C ATOM 588 C GLU A 40 3.911 -16.818 0.269 1.00 0.00 C ATOM 589 O GLU A 40 3.800 -17.767 -0.509 1.00 0.00 O ATOM 590 CB GLU A 40 6.425 -16.381 0.532 1.00 0.00 C ATOM 591 CG GLU A 40 6.667 -16.577 2.042 1.00 0.00 C ATOM 592 CD GLU A 40 7.187 -15.312 2.731 1.00 0.00 C ATOM 593 OE1 GLU A 40 6.368 -14.438 3.080 1.00 0.00 O ATOM 594 OE2 GLU A 40 8.419 -15.143 2.893 1.00 0.00 O ATOM 0 H GLU A 40 5.328 -14.426 1.641 1.00 0.00 H new ATOM 0 HA GLU A 40 5.115 -15.598 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.554 -17.346 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.205 -15.722 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.736 -16.887 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.384 -17.385 2.188 1.00 0.00 H new ATOM 601 N GLU A 41 3.025 -16.586 1.242 1.00 0.00 N ATOM 602 CA GLU A 41 1.829 -17.394 1.523 1.00 0.00 C ATOM 603 C GLU A 41 0.558 -16.536 1.745 1.00 0.00 C ATOM 604 O GLU A 41 -0.379 -16.960 2.432 1.00 0.00 O ATOM 605 CB GLU A 41 2.112 -18.329 2.712 1.00 0.00 C ATOM 606 CG GLU A 41 3.258 -19.314 2.444 1.00 0.00 C ATOM 607 CD GLU A 41 3.143 -20.543 3.343 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.268 -21.403 3.089 1.00 0.00 O ATOM 609 OE2 GLU A 41 3.855 -20.625 4.370 1.00 0.00 O ATOM 0 H GLU A 41 3.123 -15.799 1.883 1.00 0.00 H new ATOM 0 HA GLU A 41 1.614 -17.997 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.355 -17.729 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.208 -18.889 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.242 -19.621 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.215 -18.821 2.617 1.00 0.00 H new ATOM 616 N LYS A 42 0.539 -15.314 1.188 1.00 0.00 N ATOM 617 CA LYS A 42 -0.610 -14.389 1.091 1.00 0.00 C ATOM 618 C LYS A 42 -1.389 -14.180 2.415 1.00 0.00 C ATOM 619 O LYS A 42 -2.617 -14.042 2.406 1.00 0.00 O ATOM 620 CB LYS A 42 -1.519 -14.809 -0.091 1.00 0.00 C ATOM 621 CG LYS A 42 -0.783 -14.766 -1.443 1.00 0.00 C ATOM 622 CD LYS A 42 -1.698 -15.189 -2.600 1.00 0.00 C ATOM 623 CE LYS A 42 -0.872 -15.408 -3.873 1.00 0.00 C ATOM 624 NZ LYS A 42 -1.649 -16.095 -4.935 1.00 0.00 N ATOM 0 H LYS A 42 1.378 -14.917 0.765 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.204 -13.398 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.894 -15.818 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.386 -14.149 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.411 -13.757 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.085 -15.424 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.227 -16.105 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.454 -14.423 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.522 -14.446 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.012 -15.998 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.051 -16.222 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.962 -17.025 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.479 -15.521 -5.184 1.00 0.00 H new ATOM 638 N ASN A 43 -0.725 -14.179 3.578 1.00 0.00 N ATOM 639 CA ASN A 43 -1.401 -14.137 4.884 1.00 0.00 C ATOM 640 C ASN A 43 -0.760 -13.174 5.892 1.00 0.00 C ATOM 641 O ASN A 43 0.431 -12.879 5.837 1.00 0.00 O ATOM 642 CB ASN A 43 -1.560 -15.552 5.465 1.00 0.00 C ATOM 643 CG ASN A 43 -0.272 -16.100 6.064 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.026 -15.969 7.255 1.00 0.00 O ATOM 645 ND2 ASN A 43 0.576 -16.712 5.266 1.00 0.00 N ATOM 0 H ASN A 43 0.293 -14.207 3.642 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.393 -13.726 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.334 -15.538 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.903 -16.225 4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.450 -17.083 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.360 -16.815 4.275 1.00 0.00 H new ATOM 652 N ALA A 44 -1.598 -12.697 6.807 1.00 0.00 N ATOM 653 CA ALA A 44 -1.329 -11.708 7.839 1.00 0.00 C ATOM 654 C ALA A 44 -1.797 -12.248 9.206 1.00 0.00 C ATOM 655 O ALA A 44 -2.942 -12.696 9.331 1.00 0.00 O ATOM 656 CB ALA A 44 -2.102 -10.443 7.424 1.00 0.00 C ATOM 0 H ALA A 44 -2.564 -13.022 6.847 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.267 -11.485 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.940 -9.659 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.748 -10.103 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.166 -10.670 7.364 1.00 0.00 H new ATOM 662 N THR A 45 -0.929 -12.198 10.223 1.00 0.00 N ATOM 663 CA THR A 45 -1.122 -12.848 11.533 1.00 0.00 C ATOM 664 C THR A 45 -0.814 -11.839 12.631 1.00 0.00 C ATOM 665 O THR A 45 0.302 -11.329 12.708 1.00 0.00 O ATOM 666 CB THR A 45 -0.205 -14.076 11.640 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.383 -14.893 10.504 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.536 -14.929 12.860 1.00 0.00 C ATOM 0 H THR A 45 -0.046 -11.691 10.160 1.00 0.00 H new ATOM 0 HA THR A 45 -2.153 -13.185 11.641 1.00 0.00 H new ATOM 0 HB THR A 45 0.817 -13.707 11.722 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.202 -15.676 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.136 -15.787 12.897 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.414 -14.333 13.764 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.566 -15.278 12.791 1.00 0.00 H new ATOM 676 N ILE A 46 -1.797 -11.492 13.466 1.00 0.00 N ATOM 677 CA ILE A 46 -1.749 -10.246 14.257 1.00 0.00 C ATOM 678 C ILE A 46 -2.462 -10.381 15.613 1.00 0.00 C ATOM 679 O ILE A 46 -3.556 -10.955 15.708 1.00 0.00 O ATOM 680 CB ILE A 46 -2.271 -9.095 13.353 1.00 0.00 C ATOM 681 CG1 ILE A 46 -1.778 -7.664 13.658 1.00 0.00 C ATOM 682 CG2 ILE A 46 -3.792 -9.129 13.180 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.235 -6.978 14.948 1.00 0.00 C ATOM 0 H ILE A 46 -2.637 -12.051 13.616 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.725 -10.011 14.547 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.789 -9.329 12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.688 -7.687 13.666 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.077 -7.029 12.824 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.104 -8.304 12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.085 -10.074 12.722 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.271 -9.034 14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.797 -5.981 15.005 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.322 -6.898 14.952 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.911 -7.566 15.807 1.00 0.00 H new ATOM 695 N ILE A 47 -1.818 -9.855 16.661 1.00 0.00 N ATOM 696 CA ILE A 47 -2.304 -9.796 18.054 1.00 0.00 C ATOM 697 C ILE A 47 -2.456 -8.334 18.498 1.00 0.00 C ATOM 698 O ILE A 47 -1.522 -7.542 18.359 1.00 0.00 O ATOM 699 CB ILE A 47 -1.345 -10.540 19.024 1.00 0.00 C ATOM 700 CG1 ILE A 47 -0.943 -11.944 18.508 1.00 0.00 C ATOM 701 CG2 ILE A 47 -1.999 -10.627 20.418 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.083 -12.754 19.488 1.00 0.00 C ATOM 0 H ILE A 47 -0.894 -9.435 16.560 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.274 -10.292 18.088 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.420 -9.967 19.087 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.848 -12.509 18.284 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.397 -11.832 17.571 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.330 -11.148 21.102 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.191 -9.622 20.793 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.940 -11.172 20.345 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.154 -13.723 19.049 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.841 -12.213 19.694 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.632 -12.901 20.418 1.00 0.00 H new ATOM 714 N TYR A 48 -3.607 -7.992 19.076 1.00 0.00 N ATOM 715 CA TYR A 48 -4.024 -6.643 19.486 1.00 0.00 C ATOM 716 C TYR A 48 -4.839 -6.645 20.801 1.00 0.00 C ATOM 717 O TYR A 48 -5.370 -7.667 21.232 1.00 0.00 O ATOM 718 CB TYR A 48 -4.851 -6.027 18.338 1.00 0.00 C ATOM 719 CG TYR A 48 -6.027 -6.898 17.920 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.243 -6.808 18.622 1.00 0.00 C ATOM 721 CD2 TYR A 48 -5.884 -7.867 16.903 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.294 -7.691 18.334 1.00 0.00 C ATOM 723 CE2 TYR A 48 -6.936 -8.758 16.610 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.139 -8.685 17.344 1.00 0.00 C ATOM 725 OH TYR A 48 -9.131 -9.590 17.128 1.00 0.00 O ATOM 0 H TYR A 48 -4.321 -8.690 19.285 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.132 -6.048 19.684 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.221 -5.050 18.648 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.203 -5.864 17.477 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.368 -6.055 19.386 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.961 -7.926 16.345 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.227 -7.610 18.873 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.822 -9.493 15.827 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.706 -9.641 17.920 1.00 0.00 H new ATOM 735 N ASP A 49 -4.967 -5.475 21.431 1.00 0.00 N ATOM 736 CA ASP A 49 -5.807 -5.249 22.613 1.00 0.00 C ATOM 737 C ASP A 49 -7.293 -5.118 22.197 1.00 0.00 C ATOM 738 O ASP A 49 -7.619 -4.208 21.419 1.00 0.00 O ATOM 739 CB ASP A 49 -5.313 -3.980 23.334 1.00 0.00 C ATOM 740 CG ASP A 49 -5.772 -3.861 24.792 1.00 0.00 C ATOM 741 OD1 ASP A 49 -6.930 -4.216 25.105 1.00 0.00 O ATOM 742 OD2 ASP A 49 -4.926 -3.454 25.630 1.00 0.00 O ATOM 0 H ASP A 49 -4.476 -4.634 21.126 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.732 -6.097 23.294 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.224 -3.962 23.306 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.661 -3.106 22.784 1.00 0.00 H new ATOM 747 N PRO A 50 -8.207 -5.976 22.699 1.00 0.00 N ATOM 748 CA PRO A 50 -9.618 -5.965 22.315 1.00 0.00 C ATOM 749 C PRO A 50 -10.351 -4.697 22.768 1.00 0.00 C ATOM 750 O PRO A 50 -11.424 -4.394 22.245 1.00 0.00 O ATOM 751 CB PRO A 50 -10.229 -7.218 22.956 1.00 0.00 C ATOM 752 CG PRO A 50 -9.335 -7.481 24.165 1.00 0.00 C ATOM 753 CD PRO A 50 -7.963 -7.037 23.665 1.00 0.00 C ATOM 0 HA PRO A 50 -9.716 -5.968 21.229 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.264 -7.051 23.253 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.227 -8.062 22.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.653 -6.910 25.037 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.341 -8.532 24.453 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.346 -6.679 24.489 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.429 -7.868 23.204 1.00 0.00 H new ATOM 761 N LYS A 51 -9.789 -3.932 23.712 1.00 0.00 N ATOM 762 CA LYS A 51 -10.359 -2.658 24.157 1.00 0.00 C ATOM 763 C LYS A 51 -10.141 -1.516 23.148 1.00 0.00 C ATOM 764 O LYS A 51 -10.917 -0.561 23.148 1.00 0.00 O ATOM 765 CB LYS A 51 -9.769 -2.296 25.527 1.00 0.00 C ATOM 766 CG LYS A 51 -10.045 -3.365 26.599 1.00 0.00 C ATOM 767 CD LYS A 51 -9.658 -2.893 28.007 1.00 0.00 C ATOM 768 CE LYS A 51 -8.208 -2.405 28.084 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.832 -2.060 29.471 1.00 0.00 N ATOM 0 H LYS A 51 -8.923 -4.182 24.189 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.439 -2.785 24.236 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.692 -2.157 25.428 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.184 -1.343 25.856 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.103 -3.626 26.584 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.490 -4.271 26.357 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.326 -2.088 28.313 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.801 -3.711 28.713 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.541 -3.179 27.706 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.081 -1.533 27.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.845 -1.733 29.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.455 -1.304 29.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.931 -2.900 30.077 1.00 0.00 H new ATOM 783 N LEU A 52 -9.117 -1.603 22.286 1.00 0.00 N ATOM 784 CA LEU A 52 -8.806 -0.590 21.265 1.00 0.00 C ATOM 785 C LEU A 52 -9.096 -1.053 19.825 1.00 0.00 C ATOM 786 O LEU A 52 -9.219 -0.197 18.948 1.00 0.00 O ATOM 787 CB LEU A 52 -7.324 -0.155 21.379 1.00 0.00 C ATOM 788 CG LEU A 52 -6.871 0.660 22.615 1.00 0.00 C ATOM 789 CD1 LEU A 52 -7.878 1.740 23.038 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.518 -0.226 23.816 1.00 0.00 C ATOM 0 H LEU A 52 -8.471 -2.392 22.278 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.469 0.252 21.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.713 -1.057 21.338 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.085 0.432 20.493 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.964 1.167 22.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.496 2.272 23.910 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.023 2.444 22.218 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.830 1.272 23.287 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.208 0.401 24.652 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.391 -0.811 24.106 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.704 -0.899 23.545 1.00 0.00 H new ATOM 802 N GLN A 53 -9.161 -2.361 19.537 1.00 0.00 N ATOM 803 CA GLN A 53 -9.210 -2.856 18.152 1.00 0.00 C ATOM 804 C GLN A 53 -10.146 -4.055 17.966 1.00 0.00 C ATOM 805 O GLN A 53 -10.361 -4.867 18.871 1.00 0.00 O ATOM 806 CB GLN A 53 -7.798 -3.240 17.657 1.00 0.00 C ATOM 807 CG GLN A 53 -6.752 -2.134 17.866 1.00 0.00 C ATOM 808 CD GLN A 53 -5.372 -2.408 17.282 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.377 -2.002 17.855 1.00 0.00 O ATOM 810 NE2 GLN A 53 -5.223 -3.081 16.160 1.00 0.00 N ATOM 0 H GLN A 53 -9.181 -3.096 20.244 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.609 -2.032 17.560 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.472 -4.140 18.178 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.848 -3.486 16.596 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.134 -1.211 17.429 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.645 -1.959 18.937 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.042 -3.431 15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.289 -3.252 15.788 1.00 0.00 H new ATOM 819 N THR A 54 -10.646 -4.182 16.732 1.00 0.00 N ATOM 820 CA THR A 54 -11.426 -5.311 16.210 1.00 0.00 C ATOM 821 C THR A 54 -10.748 -5.841 14.940 1.00 0.00 C ATOM 822 O THR A 54 -9.970 -5.106 14.332 1.00 0.00 O ATOM 823 CB THR A 54 -12.871 -4.870 15.919 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.879 -3.720 15.098 1.00 0.00 O ATOM 825 CG2 THR A 54 -13.607 -4.541 17.218 1.00 0.00 C ATOM 0 H THR A 54 -10.509 -3.456 16.028 1.00 0.00 H new ATOM 0 HA THR A 54 -11.464 -6.108 16.952 1.00 0.00 H new ATOM 0 HB THR A 54 -13.373 -5.694 15.411 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.805 -3.452 14.920 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.627 -4.231 16.990 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.630 -5.424 17.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.089 -3.733 17.735 1.00 0.00 H new ATOM 833 N PRO A 55 -11.035 -7.073 14.477 1.00 0.00 N ATOM 834 CA PRO A 55 -10.577 -7.558 13.171 1.00 0.00 C ATOM 835 C PRO A 55 -10.976 -6.626 12.021 1.00 0.00 C ATOM 836 O PRO A 55 -10.233 -6.499 11.050 1.00 0.00 O ATOM 837 CB PRO A 55 -11.223 -8.934 12.999 1.00 0.00 C ATOM 838 CG PRO A 55 -11.482 -9.395 14.429 1.00 0.00 C ATOM 839 CD PRO A 55 -11.803 -8.098 15.162 1.00 0.00 C ATOM 0 HA PRO A 55 -9.488 -7.601 13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.147 -8.873 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.564 -9.622 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.310 -10.102 14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.611 -9.893 14.855 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.870 -7.880 15.127 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.525 -8.161 16.214 1.00 0.00 H new ATOM 847 N LYS A 56 -12.102 -5.911 12.144 1.00 0.00 N ATOM 848 CA LYS A 56 -12.449 -4.845 11.199 1.00 0.00 C ATOM 849 C LYS A 56 -11.368 -3.743 11.143 1.00 0.00 C ATOM 850 O LYS A 56 -10.953 -3.393 10.037 1.00 0.00 O ATOM 851 CB LYS A 56 -13.859 -4.300 11.489 1.00 0.00 C ATOM 852 CG LYS A 56 -14.341 -3.457 10.294 1.00 0.00 C ATOM 853 CD LYS A 56 -15.740 -2.838 10.450 1.00 0.00 C ATOM 854 CE LYS A 56 -16.869 -3.714 9.893 1.00 0.00 C ATOM 855 NZ LYS A 56 -17.212 -4.856 10.771 1.00 0.00 N ATOM 0 H LYS A 56 -12.786 -6.052 12.887 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.475 -5.273 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.549 -5.124 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.846 -3.693 12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.623 -2.655 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.336 -4.084 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.928 -2.648 11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.759 -1.872 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.757 -3.099 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.576 -4.093 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.103 -5.286 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.452 -5.564 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.323 -4.521 11.749 1.00 0.00 H new ATOM 869 N THR A 57 -10.815 -3.283 12.281 1.00 0.00 N ATOM 870 CA THR A 57 -9.659 -2.353 12.340 1.00 0.00 C ATOM 871 C THR A 57 -8.511 -2.833 11.455 1.00 0.00 C ATOM 872 O THR A 57 -7.926 -2.028 10.730 1.00 0.00 O ATOM 873 CB THR A 57 -9.140 -2.180 13.780 1.00 0.00 C ATOM 874 OG1 THR A 57 -10.206 -1.950 14.664 1.00 0.00 O ATOM 875 CG2 THR A 57 -8.167 -1.014 13.941 1.00 0.00 C ATOM 0 H THR A 57 -11.161 -3.548 13.203 1.00 0.00 H new ATOM 0 HA THR A 57 -10.019 -1.392 11.974 1.00 0.00 H new ATOM 0 HB THR A 57 -8.617 -3.109 14.008 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.898 -1.396 15.411 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.843 -0.952 14.980 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.300 -1.172 13.299 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.663 -0.085 13.659 1.00 0.00 H new ATOM 883 N LEU A 58 -8.218 -4.139 11.487 1.00 0.00 N ATOM 884 CA LEU A 58 -7.150 -4.766 10.708 1.00 0.00 C ATOM 885 C LEU A 58 -7.483 -4.832 9.210 1.00 0.00 C ATOM 886 O LEU A 58 -6.628 -4.508 8.391 1.00 0.00 O ATOM 887 CB LEU A 58 -6.836 -6.163 11.294 1.00 0.00 C ATOM 888 CG LEU A 58 -6.116 -6.226 12.661 1.00 0.00 C ATOM 889 CD1 LEU A 58 -4.829 -5.398 12.658 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.947 -5.821 13.881 1.00 0.00 C ATOM 0 H LEU A 58 -8.730 -4.802 12.069 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.257 -4.145 10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.776 -6.707 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.226 -6.701 10.569 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.905 -7.290 12.773 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.350 -5.466 13.635 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.152 -5.781 11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.067 -4.356 12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.337 -5.905 14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.284 -4.791 13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.812 -6.478 13.966 1.00 0.00 H new ATOM 902 N GLN A 59 -8.716 -5.194 8.843 1.00 0.00 N ATOM 903 CA GLN A 59 -9.170 -5.221 7.445 1.00 0.00 C ATOM 904 C GLN A 59 -9.143 -3.816 6.805 1.00 0.00 C ATOM 905 O GLN A 59 -8.728 -3.680 5.654 1.00 0.00 O ATOM 906 CB GLN A 59 -10.604 -5.784 7.380 1.00 0.00 C ATOM 907 CG GLN A 59 -10.707 -7.295 7.652 1.00 0.00 C ATOM 908 CD GLN A 59 -10.280 -8.143 6.452 1.00 0.00 C ATOM 909 OE1 GLN A 59 -9.190 -8.687 6.408 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.098 -8.262 5.429 1.00 0.00 N ATOM 0 H GLN A 59 -9.433 -5.479 9.510 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.486 -5.859 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.222 -5.254 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.019 -5.576 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.085 -7.548 8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.734 -7.542 7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.013 -7.812 5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.817 -8.804 4.612 1.00 0.00 H new ATOM 919 N GLU A 60 -9.576 -2.765 7.521 1.00 0.00 N ATOM 920 CA GLU A 60 -9.643 -1.386 6.993 1.00 0.00 C ATOM 921 C GLU A 60 -8.270 -0.761 6.742 1.00 0.00 C ATOM 922 O GLU A 60 -8.128 0.093 5.868 1.00 0.00 O ATOM 923 CB GLU A 60 -10.422 -0.464 7.945 1.00 0.00 C ATOM 924 CG GLU A 60 -11.891 -0.865 8.031 1.00 0.00 C ATOM 925 CD GLU A 60 -12.744 0.213 8.699 1.00 0.00 C ATOM 926 OE1 GLU A 60 -12.690 0.361 9.944 1.00 0.00 O ATOM 927 OE2 GLU A 60 -13.447 0.951 7.968 1.00 0.00 O ATOM 0 H GLU A 60 -9.892 -2.845 8.488 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.157 -1.475 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.974 -0.502 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.344 0.567 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.273 -1.059 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.980 -1.796 8.591 1.00 0.00 H new ATOM 934 N ALA A 61 -7.253 -1.183 7.490 1.00 0.00 N ATOM 935 CA ALA A 61 -5.876 -0.701 7.310 1.00 0.00 C ATOM 936 C ALA A 61 -5.329 -0.969 5.889 1.00 0.00 C ATOM 937 O ALA A 61 -4.587 -0.148 5.347 1.00 0.00 O ATOM 938 CB ALA A 61 -4.985 -1.341 8.381 1.00 0.00 C ATOM 0 H ALA A 61 -7.355 -1.868 8.239 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.874 0.383 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.960 -0.991 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.348 -1.062 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.013 -2.426 8.277 1.00 0.00 H new ATOM 944 N ILE A 62 -5.728 -2.091 5.280 1.00 0.00 N ATOM 945 CA ILE A 62 -5.286 -2.557 3.950 1.00 0.00 C ATOM 946 C ILE A 62 -5.834 -1.692 2.799 1.00 0.00 C ATOM 947 O ILE A 62 -5.242 -1.656 1.720 1.00 0.00 O ATOM 948 CB ILE A 62 -5.713 -4.042 3.771 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.356 -4.954 4.972 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.137 -4.653 2.478 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.891 -4.889 5.428 1.00 0.00 C ATOM 0 H ILE A 62 -6.395 -2.729 5.714 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.201 -2.466 3.905 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.801 -4.005 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.994 -4.686 5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.593 -5.985 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.459 -5.691 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.496 -4.088 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.048 -4.612 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.743 -5.562 6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.241 -5.189 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.649 -3.870 5.729 1.00 0.00 H new ATOM 963 N ASP A 63 -6.963 -1.008 3.004 1.00 0.00 N ATOM 964 CA ASP A 63 -7.750 -0.344 1.951 1.00 0.00 C ATOM 965 C ASP A 63 -7.082 0.906 1.340 1.00 0.00 C ATOM 966 O ASP A 63 -7.502 1.365 0.275 1.00 0.00 O ATOM 967 CB ASP A 63 -9.119 0.017 2.550 1.00 0.00 C ATOM 968 CG ASP A 63 -10.082 0.627 1.531 1.00 0.00 C ATOM 969 OD1 ASP A 63 -10.651 -0.124 0.707 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.336 1.852 1.582 1.00 0.00 O ATOM 0 H ASP A 63 -7.370 -0.895 3.933 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.840 -1.042 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.570 -0.880 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.975 0.720 3.370 1.00 0.00 H new ATOM 975 N ASP A 64 -6.045 1.438 1.996 1.00 0.00 N ATOM 976 CA ASP A 64 -5.247 2.566 1.503 1.00 0.00 C ATOM 977 C ASP A 64 -4.488 2.183 0.220 1.00 0.00 C ATOM 978 O ASP A 64 -4.564 2.902 -0.776 1.00 0.00 O ATOM 979 CB ASP A 64 -4.302 3.045 2.624 1.00 0.00 C ATOM 980 CG ASP A 64 -3.703 4.434 2.368 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.470 5.356 2.007 1.00 0.00 O ATOM 982 OD2 ASP A 64 -2.494 4.643 2.629 1.00 0.00 O ATOM 0 H ASP A 64 -5.731 1.090 2.902 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.904 3.393 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.849 3.062 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.492 2.324 2.738 1.00 0.00 H new ATOM 987 N MET A 65 -3.848 1.006 0.214 1.00 0.00 N ATOM 988 CA MET A 65 -3.172 0.431 -0.955 1.00 0.00 C ATOM 989 C MET A 65 -4.199 -0.131 -1.972 1.00 0.00 C ATOM 990 O MET A 65 -5.386 0.209 -1.960 1.00 0.00 O ATOM 991 CB MET A 65 -2.135 -0.628 -0.497 1.00 0.00 C ATOM 992 CG MET A 65 -1.014 -0.112 0.427 1.00 0.00 C ATOM 993 SD MET A 65 -1.456 0.171 2.166 1.00 0.00 S ATOM 994 CE MET A 65 -1.699 -1.534 2.722 1.00 0.00 C ATOM 0 H MET A 65 -3.785 0.414 1.042 1.00 0.00 H new ATOM 0 HA MET A 65 -2.626 1.216 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.665 -1.429 0.018 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.677 -1.067 -1.383 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.192 -0.827 0.397 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.637 0.824 0.015 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.854 -1.546 3.801 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.572 -1.958 2.225 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.818 -2.126 2.475 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.764 -1.034 -2.854 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.595 -1.742 -3.835 1.00 0.00 C ATOM 1006 C GLY A 66 -4.529 -3.255 -3.657 1.00 0.00 C ATOM 1007 O GLY A 66 -4.077 -3.957 -4.566 1.00 0.00 O ATOM 0 H GLY A 66 -2.782 -1.304 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.629 -1.411 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.268 -1.481 -4.842 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.949 -3.752 -2.488 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.937 -5.180 -2.155 1.00 0.00 C ATOM 1013 C PHE A 67 -6.348 -5.685 -1.802 1.00 0.00 C ATOM 1014 O PHE A 67 -7.332 -4.948 -1.892 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.891 -5.432 -1.048 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.454 -5.087 -1.418 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.867 -5.620 -2.583 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.687 -4.248 -0.582 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.536 -5.309 -2.917 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.355 -3.940 -0.916 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.222 -4.471 -2.082 1.00 0.00 C ATOM 0 H PHE A 67 -5.312 -3.165 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.638 -5.764 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.171 -4.853 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.933 -6.484 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.443 -6.272 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.124 -3.841 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.097 -5.715 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.225 -3.294 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.245 -4.236 -2.336 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.451 -6.959 -1.430 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.692 -7.629 -1.028 1.00 0.00 C ATOM 1033 C ASP A 68 -7.392 -8.465 0.220 1.00 0.00 C ATOM 1034 O ASP A 68 -6.257 -8.920 0.378 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.203 -8.537 -2.162 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.703 -7.757 -3.380 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -9.875 -7.310 -3.374 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -7.937 -7.622 -4.359 1.00 0.00 O ATOM 0 H ASP A 68 -5.642 -7.580 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.465 -6.891 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.401 -9.207 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.011 -9.162 -1.782 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.385 -8.668 1.096 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.200 -9.360 2.374 1.00 0.00 C ATOM 1045 C ALA A 69 -9.493 -10.000 2.914 1.00 0.00 C ATOM 1046 O ALA A 69 -10.580 -9.453 2.719 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.588 -8.381 3.386 1.00 0.00 C ATOM 0 H ALA A 69 -9.342 -8.355 0.935 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.519 -10.195 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.446 -8.886 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.625 -8.029 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.257 -7.531 3.521 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.373 -11.140 3.602 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.483 -11.967 4.120 1.00 0.00 C ATOM 1055 C VAL A 70 -10.059 -12.618 5.444 1.00 0.00 C ATOM 1056 O VAL A 70 -8.953 -13.152 5.545 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.883 -13.080 3.111 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.061 -13.927 3.626 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.258 -12.527 1.722 1.00 0.00 C ATOM 0 H VAL A 70 -8.460 -11.535 3.827 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.345 -11.317 4.273 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.993 -13.702 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.308 -14.692 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.783 -14.403 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.927 -13.286 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.528 -13.352 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.105 -11.847 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.407 -11.990 1.302 1.00 0.00 H new ATOM 1069 N ILE A 71 -10.920 -12.598 6.466 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.625 -13.176 7.792 1.00 0.00 C ATOM 1071 C ILE A 71 -10.670 -14.716 7.758 1.00 0.00 C ATOM 1072 O ILE A 71 -11.553 -15.304 7.131 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.558 -12.543 8.856 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.126 -11.075 9.097 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.543 -13.326 10.184 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.170 -10.203 9.795 1.00 0.00 C ATOM 0 H ILE A 71 -11.848 -12.179 6.402 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.603 -12.931 8.080 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.579 -12.579 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.214 -11.073 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.879 -10.622 8.137 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.211 -12.845 10.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.876 -14.349 10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.530 -13.339 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.777 -9.194 9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.077 -10.167 9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.402 -10.625 10.773 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.720 -15.381 8.426 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.501 -16.829 8.288 1.00 0.00 C ATOM 1090 C HIS A 72 -8.938 -17.517 9.563 1.00 0.00 C ATOM 1091 O HIS A 72 -8.225 -18.522 9.469 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.609 -17.043 7.045 1.00 0.00 C ATOM 1093 CG HIS A 72 -8.705 -18.425 6.451 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -7.664 -19.289 6.189 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -9.849 -19.031 6.009 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.169 -20.389 5.608 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -9.504 -20.276 5.466 1.00 0.00 N ATOM 0 H HIS A 72 -9.079 -14.931 9.079 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.465 -17.320 8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.883 -16.312 6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.572 -16.847 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.846 -18.621 6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.587 -21.244 5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.136 -20.959 5.048 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.236 -16.988 10.760 1.00 0.00 N ATOM 1106 CA ASN A 73 -8.824 -17.549 12.064 1.00 0.00 C ATOM 1107 C ASN A 73 -9.393 -18.947 12.370 1.00 0.00 C ATOM 1108 O ASN A 73 -8.713 -19.736 13.072 1.00 0.00 O ATOM 1109 CB ASN A 73 -9.147 -16.527 13.177 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.628 -16.289 13.440 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -11.257 -15.400 12.882 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -11.240 -17.061 14.301 1.00 0.00 N ATOM 1113 OXT ASN A 73 -10.510 -19.263 11.902 1.00 0.00 O ATOM 0 H ASN A 73 -9.786 -16.134 10.854 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.748 -17.716 12.018 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.681 -16.865 14.103 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.685 -15.575 12.917 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.230 -16.918 14.500 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.727 -17.806 14.773 1.00 0.00 H new ATOM 1121 N MET B 74 -1.566 17.637 -22.355 1.00 0.00 N ATOM 1122 CA MET B 74 -1.219 17.756 -20.921 1.00 0.00 C ATOM 1123 C MET B 74 0.295 17.661 -20.730 1.00 0.00 C ATOM 1124 O MET B 74 0.963 17.088 -21.599 1.00 0.00 O ATOM 1125 CB MET B 74 -1.932 16.696 -20.063 1.00 0.00 C ATOM 1126 CG MET B 74 -3.455 16.712 -20.228 1.00 0.00 C ATOM 1127 SD MET B 74 -4.293 15.344 -19.389 1.00 0.00 S ATOM 1128 CE MET B 74 -5.992 15.724 -19.884 1.00 0.00 C ATOM 0 HA MET B 74 -1.563 18.734 -20.584 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.554 15.709 -20.329 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.685 16.860 -19.014 1.00 0.00 H new ATOM 0 HG2 MET B 74 -3.843 17.655 -19.843 1.00 0.00 H new ATOM 0 HG3 MET B 74 -3.697 16.678 -21.290 1.00 0.00 H new ATOM 0 HE1 MET B 74 -6.685 15.122 -19.297 1.00 0.00 H new ATOM 0 HE2 MET B 74 -6.193 16.781 -19.711 1.00 0.00 H new ATOM 0 HE3 MET B 74 -6.122 15.498 -20.942 1.00 0.00 H new ATOM 1140 N PRO B 75 0.852 18.198 -19.626 1.00 0.00 N ATOM 1141 CA PRO B 75 2.274 18.100 -19.307 1.00 0.00 C ATOM 1142 C PRO B 75 2.658 16.668 -18.930 1.00 0.00 C ATOM 1143 O PRO B 75 1.877 15.972 -18.283 1.00 0.00 O ATOM 1144 CB PRO B 75 2.520 19.051 -18.124 1.00 0.00 C ATOM 1145 CG PRO B 75 1.257 19.911 -18.052 1.00 0.00 C ATOM 1146 CD PRO B 75 0.182 18.974 -18.593 1.00 0.00 C ATOM 0 HA PRO B 75 2.883 18.371 -20.170 1.00 0.00 H new ATOM 0 HB2 PRO B 75 2.677 18.499 -17.197 1.00 0.00 H new ATOM 0 HB3 PRO B 75 3.408 19.663 -18.285 1.00 0.00 H new ATOM 0 HG2 PRO B 75 1.041 20.229 -17.032 1.00 0.00 H new ATOM 0 HG3 PRO B 75 1.347 20.815 -18.655 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -0.213 18.330 -17.808 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -0.661 19.532 -19.001 1.00 0.00 H new ATOM 1154 N LYS B 76 3.883 16.255 -19.273 1.00 0.00 N ATOM 1155 CA LYS B 76 4.520 15.074 -18.677 1.00 0.00 C ATOM 1156 C LYS B 76 5.392 15.447 -17.469 1.00 0.00 C ATOM 1157 O LYS B 76 6.044 16.501 -17.450 1.00 0.00 O ATOM 1158 CB LYS B 76 5.352 14.300 -19.712 1.00 0.00 C ATOM 1159 CG LYS B 76 4.514 13.807 -20.901 1.00 0.00 C ATOM 1160 CD LYS B 76 5.133 12.598 -21.610 1.00 0.00 C ATOM 1161 CE LYS B 76 4.991 11.336 -20.749 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.554 10.144 -21.420 1.00 0.00 N ATOM 0 H LYS B 76 4.460 16.728 -19.969 1.00 0.00 H new ATOM 0 HA LYS B 76 3.716 14.426 -18.328 1.00 0.00 H new ATOM 0 HB2 LYS B 76 6.154 14.941 -20.079 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.824 13.446 -19.227 1.00 0.00 H new ATOM 0 HG2 LYS B 76 3.516 13.544 -20.551 1.00 0.00 H new ATOM 0 HG3 LYS B 76 4.396 14.620 -21.617 1.00 0.00 H new ATOM 0 HD2 LYS B 76 4.645 12.445 -22.573 1.00 0.00 H new ATOM 0 HD3 LYS B 76 6.187 12.789 -21.814 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.497 11.488 -19.795 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.938 11.164 -20.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.438 9.313 -20.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 5.055 9.983 -22.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 6.565 10.297 -21.609 1.00 0.00 H new ATOM 1176 N HIS B 77 5.455 14.554 -16.486 1.00 0.00 N ATOM 1177 CA HIS B 77 6.158 14.733 -15.209 1.00 0.00 C ATOM 1178 C HIS B 77 6.635 13.376 -14.635 1.00 0.00 C ATOM 1179 O HIS B 77 6.185 12.315 -15.083 1.00 0.00 O ATOM 1180 CB HIS B 77 5.283 15.569 -14.241 1.00 0.00 C ATOM 1181 CG HIS B 77 3.784 15.357 -14.339 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.801 16.326 -14.369 1.00 0.00 N ATOM 1183 CD2 HIS B 77 3.151 14.158 -14.503 1.00 0.00 C ATOM 1184 CE1 HIS B 77 1.620 15.712 -14.559 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.780 14.383 -14.653 1.00 0.00 N ATOM 0 H HIS B 77 4.999 13.644 -16.556 1.00 0.00 H new ATOM 0 HA HIS B 77 7.073 15.304 -15.366 1.00 0.00 H new ATOM 0 HB2 HIS B 77 5.594 15.347 -13.220 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.492 16.624 -14.416 1.00 0.00 H new ATOM 0 HD1 HIS B 77 2.945 17.330 -14.265 1.00 0.00 H new ATOM 0 HD2 HIS B 77 3.633 13.191 -14.515 1.00 0.00 H new ATOM 0 HE1 HIS B 77 0.670 16.220 -14.627 1.00 0.00 H new ATOM 1193 N GLU B 78 7.611 13.393 -13.719 1.00 0.00 N ATOM 1194 CA GLU B 78 8.361 12.207 -13.269 1.00 0.00 C ATOM 1195 C GLU B 78 8.301 12.049 -11.742 1.00 0.00 C ATOM 1196 O GLU B 78 8.302 13.032 -11.003 1.00 0.00 O ATOM 1197 CB GLU B 78 9.818 12.332 -13.756 1.00 0.00 C ATOM 1198 CG GLU B 78 10.722 11.113 -13.516 1.00 0.00 C ATOM 1199 CD GLU B 78 12.090 11.237 -14.207 1.00 0.00 C ATOM 1200 OE1 GLU B 78 12.569 12.365 -14.490 1.00 0.00 O ATOM 1201 OE2 GLU B 78 12.733 10.191 -14.459 1.00 0.00 O ATOM 0 H GLU B 78 7.911 14.252 -13.257 1.00 0.00 H new ATOM 0 HA GLU B 78 7.907 11.312 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.805 12.543 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU B 78 10.270 13.195 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU B 78 10.872 10.984 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU B 78 10.218 10.217 -13.877 1.00 0.00 H new ATOM 1208 N PHE B 79 8.271 10.796 -11.281 1.00 0.00 N ATOM 1209 CA PHE B 79 8.183 10.388 -9.878 1.00 0.00 C ATOM 1210 C PHE B 79 9.058 9.146 -9.626 1.00 0.00 C ATOM 1211 O PHE B 79 9.291 8.347 -10.537 1.00 0.00 O ATOM 1212 CB PHE B 79 6.714 10.078 -9.521 1.00 0.00 C ATOM 1213 CG PHE B 79 5.728 11.223 -9.699 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.158 11.478 -10.963 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.359 12.021 -8.598 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.251 12.539 -11.130 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.435 13.069 -8.763 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.892 13.336 -10.031 1.00 0.00 C ATOM 0 H PHE B 79 8.310 9.996 -11.912 1.00 0.00 H new ATOM 0 HA PHE B 79 8.544 11.201 -9.249 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.381 9.240 -10.133 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.675 9.749 -8.482 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.419 10.856 -11.806 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.786 11.828 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.830 12.741 -12.104 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.143 13.669 -7.914 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.199 14.154 -10.160 1.00 0.00 H new ATOM 1228 N SER B 80 9.506 8.938 -8.389 1.00 0.00 N ATOM 1229 CA SER B 80 10.299 7.773 -7.966 1.00 0.00 C ATOM 1230 C SER B 80 9.794 7.188 -6.639 1.00 0.00 C ATOM 1231 O SER B 80 9.546 7.924 -5.682 1.00 0.00 O ATOM 1232 CB SER B 80 11.777 8.154 -7.846 1.00 0.00 C ATOM 1233 OG SER B 80 12.578 6.994 -7.713 1.00 0.00 O ATOM 0 H SER B 80 9.325 9.592 -7.627 1.00 0.00 H new ATOM 0 HA SER B 80 10.185 7.004 -8.730 1.00 0.00 H new ATOM 0 HB2 SER B 80 12.086 8.718 -8.726 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.922 8.805 -6.984 1.00 0.00 H new ATOM 0 HG SER B 80 13.520 7.254 -7.639 1.00 0.00 H new ATOM 1239 N VAL B 81 9.649 5.863 -6.579 1.00 0.00 N ATOM 1240 CA VAL B 81 9.040 5.122 -5.460 1.00 0.00 C ATOM 1241 C VAL B 81 10.021 4.097 -4.896 1.00 0.00 C ATOM 1242 O VAL B 81 10.922 3.633 -5.586 1.00 0.00 O ATOM 1243 CB VAL B 81 7.733 4.398 -5.874 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.567 5.390 -5.979 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.858 3.634 -7.205 1.00 0.00 C ATOM 0 H VAL B 81 9.962 5.250 -7.332 1.00 0.00 H new ATOM 0 HA VAL B 81 8.793 5.860 -4.697 1.00 0.00 H new ATOM 0 HB VAL B 81 7.539 3.669 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.662 4.858 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.410 5.871 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.800 6.147 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.909 3.150 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL B 81 8.114 4.332 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.639 2.879 -7.119 1.00 0.00 H new ATOM 1255 N ASP B 82 9.822 3.715 -3.637 1.00 0.00 N ATOM 1256 CA ASP B 82 10.653 2.729 -2.940 1.00 0.00 C ATOM 1257 C ASP B 82 10.197 1.260 -3.155 1.00 0.00 C ATOM 1258 O ASP B 82 10.743 0.341 -2.542 1.00 0.00 O ATOM 1259 CB ASP B 82 10.688 3.158 -1.467 1.00 0.00 C ATOM 1260 CG ASP B 82 11.645 2.341 -0.609 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.832 2.205 -0.997 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.191 1.835 0.444 1.00 0.00 O ATOM 0 H ASP B 82 9.067 4.086 -3.060 1.00 0.00 H new ATOM 0 HA ASP B 82 11.660 2.721 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.973 4.209 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.684 3.077 -1.051 1.00 0.00 H new ATOM 1267 N MET B 83 9.208 1.002 -4.026 1.00 0.00 N ATOM 1268 CA MET B 83 8.741 -0.364 -4.329 1.00 0.00 C ATOM 1269 C MET B 83 9.747 -1.139 -5.196 1.00 0.00 C ATOM 1270 O MET B 83 10.076 -0.718 -6.303 1.00 0.00 O ATOM 1271 CB MET B 83 7.322 -0.363 -4.933 1.00 0.00 C ATOM 1272 CG MET B 83 7.214 0.045 -6.411 1.00 0.00 C ATOM 1273 SD MET B 83 5.522 0.329 -6.981 1.00 0.00 S ATOM 1274 CE MET B 83 5.877 0.501 -8.747 1.00 0.00 C ATOM 0 H MET B 83 8.710 1.730 -4.539 1.00 0.00 H new ATOM 0 HA MET B 83 8.677 -0.898 -3.381 1.00 0.00 H new ATOM 0 HB2 MET B 83 6.902 -1.363 -4.822 1.00 0.00 H new ATOM 0 HB3 MET B 83 6.700 0.312 -4.345 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.796 0.953 -6.569 1.00 0.00 H new ATOM 0 HG3 MET B 83 7.666 -0.734 -7.025 1.00 0.00 H new ATOM 0 HE1 MET B 83 4.949 0.685 -9.288 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.559 1.337 -8.901 1.00 0.00 H new ATOM 0 HE3 MET B 83 6.337 -0.415 -9.117 1.00 0.00 H new ATOM 1284 N THR B 84 10.225 -2.287 -4.702 1.00 0.00 N ATOM 1285 CA THR B 84 11.138 -3.201 -5.419 1.00 0.00 C ATOM 1286 C THR B 84 10.431 -4.105 -6.427 1.00 0.00 C ATOM 1287 O THR B 84 11.090 -4.678 -7.300 1.00 0.00 O ATOM 1288 CB THR B 84 11.866 -4.102 -4.411 1.00 0.00 C ATOM 1289 OG1 THR B 84 10.928 -4.672 -3.519 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.883 -3.319 -3.581 1.00 0.00 C ATOM 0 H THR B 84 9.984 -2.620 -3.768 1.00 0.00 H new ATOM 0 HA THR B 84 11.830 -2.562 -5.968 1.00 0.00 H new ATOM 0 HB THR B 84 12.387 -4.870 -4.982 1.00 0.00 H new ATOM 0 HG1 THR B 84 10.023 -4.549 -3.874 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.376 -3.992 -2.880 1.00 0.00 H new ATOM 0 HG22 THR B 84 13.627 -2.875 -4.242 1.00 0.00 H new ATOM 0 HG23 THR B 84 12.372 -2.531 -3.028 1.00 0.00 H new ATOM 1298 N CYS B 85 9.125 -4.287 -6.240 1.00 0.00 N ATOM 1299 CA CYS B 85 8.455 -5.555 -6.439 1.00 0.00 C ATOM 1300 C CYS B 85 7.010 -5.449 -7.001 1.00 0.00 C ATOM 1301 O CYS B 85 6.391 -4.379 -7.083 1.00 0.00 O ATOM 1302 CB CYS B 85 8.539 -6.257 -5.069 1.00 0.00 C ATOM 1303 SG CYS B 85 7.901 -5.217 -3.714 1.00 0.00 S ATOM 0 H CYS B 85 8.499 -3.540 -5.941 1.00 0.00 H new ATOM 0 HA CYS B 85 8.943 -6.133 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.973 -7.188 -5.106 1.00 0.00 H new ATOM 0 HB3 CYS B 85 9.576 -6.522 -4.863 1.00 0.00 H new ATOM 0 HG CYS B 85 6.781 -5.712 -3.278 1.00 0.00 H new ATOM 1308 N GLY B 86 6.486 -6.613 -7.403 1.00 0.00 N ATOM 1309 CA GLY B 86 5.267 -6.760 -8.205 1.00 0.00 C ATOM 1310 C GLY B 86 3.967 -6.416 -7.475 1.00 0.00 C ATOM 1311 O GLY B 86 3.004 -6.019 -8.136 1.00 0.00 O ATOM 0 H GLY B 86 6.914 -7.509 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY B 86 5.351 -6.123 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY B 86 5.205 -7.789 -8.560 1.00 0.00 H new ATOM 1315 N GLY B 87 3.940 -6.511 -6.138 1.00 0.00 N ATOM 1316 CA GLY B 87 2.742 -6.286 -5.323 1.00 0.00 C ATOM 1317 C GLY B 87 2.308 -4.829 -5.373 1.00 0.00 C ATOM 1318 O GLY B 87 1.228 -4.515 -5.874 1.00 0.00 O ATOM 0 H GLY B 87 4.764 -6.750 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.932 -6.922 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.942 -6.573 -4.291 1.00 0.00 H new ATOM 1322 N CYS B 88 3.174 -3.917 -4.932 1.00 0.00 N ATOM 1323 CA CYS B 88 2.936 -2.479 -5.050 1.00 0.00 C ATOM 1324 C CYS B 88 2.831 -2.002 -6.510 1.00 0.00 C ATOM 1325 O CYS B 88 2.022 -1.113 -6.775 1.00 0.00 O ATOM 1326 CB CYS B 88 3.967 -1.699 -4.229 1.00 0.00 C ATOM 1327 SG CYS B 88 3.389 -1.649 -2.509 1.00 0.00 S ATOM 0 H CYS B 88 4.059 -4.154 -4.484 1.00 0.00 H new ATOM 0 HA CYS B 88 1.954 -2.269 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS B 88 4.944 -2.178 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.083 -0.689 -4.622 1.00 0.00 H new ATOM 0 HG CYS B 88 3.674 -2.774 -1.923 1.00 0.00 H new ATOM 1333 N ALA B 89 3.534 -2.633 -7.461 1.00 0.00 N ATOM 1334 CA ALA B 89 3.379 -2.346 -8.893 1.00 0.00 C ATOM 1335 C ALA B 89 1.969 -2.669 -9.433 1.00 0.00 C ATOM 1336 O ALA B 89 1.494 -1.991 -10.347 1.00 0.00 O ATOM 1337 CB ALA B 89 4.467 -3.097 -9.668 1.00 0.00 C ATOM 0 H ALA B 89 4.225 -3.356 -7.259 1.00 0.00 H new ATOM 0 HA ALA B 89 3.496 -1.272 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.362 -2.892 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.449 -2.766 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.365 -4.168 -9.493 1.00 0.00 H new ATOM 1343 N GLU B 90 1.273 -3.659 -8.859 1.00 0.00 N ATOM 1344 CA GLU B 90 -0.175 -3.799 -9.035 1.00 0.00 C ATOM 1345 C GLU B 90 -0.927 -2.709 -8.251 1.00 0.00 C ATOM 1346 O GLU B 90 -1.713 -1.969 -8.841 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.653 -5.215 -8.663 1.00 0.00 C ATOM 1348 CG GLU B 90 -2.144 -5.376 -8.992 1.00 0.00 C ATOM 1349 CD GLU B 90 -2.662 -6.788 -8.740 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.527 -7.304 -7.605 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -3.308 -7.357 -9.650 1.00 0.00 O ATOM 0 H GLU B 90 1.693 -4.376 -8.267 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.404 -3.659 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.071 -5.958 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.486 -5.396 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -2.721 -4.671 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -2.310 -5.116 -10.037 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.691 -2.569 -6.942 1.00 0.00 N ATOM 1359 CA ALA B 91 -1.452 -1.665 -6.066 1.00 0.00 C ATOM 1360 C ALA B 91 -1.500 -0.209 -6.564 1.00 0.00 C ATOM 1361 O ALA B 91 -2.574 0.397 -6.591 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.847 -1.727 -4.660 1.00 0.00 C ATOM 0 H ALA B 91 0.041 -3.085 -6.454 1.00 0.00 H new ATOM 0 HA ALA B 91 -2.487 -2.006 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -1.400 -1.062 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.907 -2.748 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.197 -1.415 -4.699 1.00 0.00 H new ATOM 1368 N VAL B 92 -0.359 0.327 -7.006 1.00 0.00 N ATOM 1369 CA VAL B 92 -0.239 1.701 -7.518 1.00 0.00 C ATOM 1370 C VAL B 92 -1.136 1.945 -8.741 1.00 0.00 C ATOM 1371 O VAL B 92 -1.589 3.065 -8.951 1.00 0.00 O ATOM 1372 CB VAL B 92 1.238 2.065 -7.808 1.00 0.00 C ATOM 1373 CG1 VAL B 92 1.793 1.361 -9.056 1.00 0.00 C ATOM 1374 CG2 VAL B 92 1.443 3.582 -7.935 1.00 0.00 C ATOM 0 H VAL B 92 0.522 -0.186 -7.020 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.595 2.368 -6.733 1.00 0.00 H new ATOM 0 HB VAL B 92 1.798 1.706 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL B 92 2.831 1.655 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL B 92 1.738 0.281 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.204 1.647 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL B 92 2.493 3.791 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL B 92 0.832 3.965 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.150 4.068 -7.004 1.00 0.00 H new ATOM 1384 N SER B 93 -1.472 0.903 -9.511 1.00 0.00 N ATOM 1385 CA SER B 93 -2.435 1.019 -10.613 1.00 0.00 C ATOM 1386 C SER B 93 -3.859 1.260 -10.086 1.00 0.00 C ATOM 1387 O SER B 93 -4.522 2.205 -10.519 1.00 0.00 O ATOM 1388 CB SER B 93 -2.346 -0.211 -11.535 1.00 0.00 C ATOM 1389 OG SER B 93 -2.945 -1.379 -10.995 1.00 0.00 O ATOM 0 H SER B 93 -1.089 -0.035 -9.390 1.00 0.00 H new ATOM 0 HA SER B 93 -2.178 1.892 -11.212 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.824 0.024 -12.486 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.297 -0.418 -11.748 1.00 0.00 H new ATOM 0 HG SER B 93 -2.334 -1.791 -10.348 1.00 0.00 H new ATOM 1395 N ARG B 94 -4.301 0.488 -9.082 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.612 0.653 -8.440 1.00 0.00 C ATOM 1397 C ARG B 94 -5.725 1.974 -7.671 1.00 0.00 C ATOM 1398 O ARG B 94 -6.805 2.567 -7.650 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.901 -0.510 -7.482 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.968 -1.885 -8.159 1.00 0.00 C ATOM 1401 CD ARG B 94 -6.448 -2.906 -7.124 1.00 0.00 C ATOM 1402 NE ARG B 94 -6.479 -4.268 -7.666 1.00 0.00 N ATOM 1403 CZ ARG B 94 -6.780 -5.362 -6.986 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -7.075 -5.340 -5.708 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -6.785 -6.512 -7.613 1.00 0.00 N ATOM 0 H ARG B 94 -3.752 -0.276 -8.689 1.00 0.00 H new ATOM 0 HA ARG B 94 -6.348 0.663 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -5.128 -0.534 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.847 -0.321 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.649 -1.857 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.988 -2.167 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -5.791 -2.877 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -7.445 -2.631 -6.779 1.00 0.00 H new ATOM 0 HE ARG B 94 -6.248 -4.382 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -7.078 -4.455 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -7.301 -6.208 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -6.560 -6.552 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -7.014 -7.368 -7.107 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.619 2.442 -7.087 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.507 3.762 -6.447 1.00 0.00 C ATOM 1421 C VAL B 95 -4.636 4.898 -7.482 1.00 0.00 C ATOM 1422 O VAL B 95 -5.430 5.813 -7.276 1.00 0.00 O ATOM 1423 CB VAL B 95 -3.187 3.849 -5.641 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.815 5.277 -5.221 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.260 2.971 -4.377 1.00 0.00 C ATOM 0 H VAL B 95 -3.754 1.903 -7.043 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.334 3.887 -5.748 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.412 3.490 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.880 5.260 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.695 5.898 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.606 5.690 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.322 3.047 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -4.081 3.311 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.429 1.933 -4.664 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.908 4.841 -8.610 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.923 5.893 -9.640 1.00 0.00 C ATOM 1437 C LEU B 96 -5.254 5.997 -10.391 1.00 0.00 C ATOM 1438 O LEU B 96 -5.716 7.109 -10.642 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.765 5.669 -10.637 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.383 6.135 -10.132 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.291 5.631 -11.087 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.301 7.670 -10.042 1.00 0.00 C ATOM 0 H LEU B 96 -3.290 4.061 -8.834 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.793 6.841 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.710 4.607 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.994 6.194 -11.564 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.236 5.724 -9.133 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.685 5.960 -10.730 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.315 4.542 -11.125 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.467 6.033 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.314 7.961 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.470 8.102 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.061 8.035 -9.351 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.906 4.878 -10.727 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.145 4.896 -11.524 1.00 0.00 C ATOM 1456 C ASN B 97 -8.346 5.563 -10.813 1.00 0.00 C ATOM 1457 O ASN B 97 -9.348 5.884 -11.457 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.471 3.477 -12.017 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.677 3.131 -13.273 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -7.143 3.317 -14.391 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -5.459 2.644 -13.144 1.00 0.00 N ATOM 0 H ASN B 97 -5.597 3.943 -10.460 1.00 0.00 H new ATOM 0 HA ASN B 97 -6.958 5.536 -12.387 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -7.245 2.756 -11.231 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.538 3.398 -12.225 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -4.908 2.423 -13.973 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -5.068 2.488 -12.215 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.236 5.873 -9.514 1.00 0.00 N ATOM 1469 CA LYS B 98 -9.178 6.742 -8.787 1.00 0.00 C ATOM 1470 C LYS B 98 -9.216 8.193 -9.321 1.00 0.00 C ATOM 1471 O LYS B 98 -10.254 8.850 -9.221 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.834 6.701 -7.293 1.00 0.00 C ATOM 1473 CG LYS B 98 -9.174 5.327 -6.691 1.00 0.00 C ATOM 1474 CD LYS B 98 -8.863 5.310 -5.195 1.00 0.00 C ATOM 1475 CE LYS B 98 -9.490 4.074 -4.531 1.00 0.00 C ATOM 1476 NZ LYS B 98 -9.383 4.113 -3.053 1.00 0.00 N ATOM 0 H LYS B 98 -7.479 5.523 -8.927 1.00 0.00 H new ATOM 0 HA LYS B 98 -10.184 6.356 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.774 6.912 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.386 7.480 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -10.228 5.103 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.602 4.549 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -7.784 5.305 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -9.247 6.216 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -10.540 4.005 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -8.999 3.175 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -9.819 3.259 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -8.381 4.152 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -9.874 4.956 -2.692 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.134 8.676 -9.950 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.089 9.957 -10.678 1.00 0.00 C ATOM 1492 C LEU B 99 -8.870 9.938 -12.008 1.00 0.00 C ATOM 1493 O LEU B 99 -9.170 11.007 -12.547 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.614 10.335 -10.941 1.00 0.00 C ATOM 1495 CG LEU B 99 -5.774 10.630 -9.678 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.288 10.700 -10.055 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.192 11.956 -9.022 1.00 0.00 C ATOM 0 H LEU B 99 -7.245 8.177 -9.968 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.577 10.701 -10.049 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.140 9.522 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.590 11.213 -11.587 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.946 9.825 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -3.696 10.908 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.976 9.748 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.135 11.494 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.581 12.132 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.050 12.773 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.242 11.904 -8.734 1.00 0.00 H new ATOM 1509 N GLY B 100 -9.185 8.751 -12.543 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.774 8.530 -13.871 1.00 0.00 C ATOM 1511 C GLY B 100 -8.729 8.078 -14.894 1.00 0.00 C ATOM 1512 O GLY B 100 -7.726 7.458 -14.536 1.00 0.00 O ATOM 0 H GLY B 100 -9.029 7.878 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -10.559 7.778 -13.799 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.245 9.450 -14.216 1.00 0.00 H new ATOM 1516 N GLY B 101 -8.939 8.391 -16.178 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.138 7.909 -17.316 1.00 0.00 C ATOM 1518 C GLY B 101 -6.754 8.554 -17.454 1.00 0.00 C ATOM 1519 O GLY B 101 -6.416 9.064 -18.523 1.00 0.00 O ATOM 0 H GLY B 101 -9.698 9.009 -16.466 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.012 6.831 -17.221 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -8.697 8.085 -18.235 1.00 0.00 H new ATOM 1523 N VAL B 102 -5.946 8.536 -16.394 1.00 0.00 N ATOM 1524 CA VAL B 102 -4.559 9.047 -16.386 1.00 0.00 C ATOM 1525 C VAL B 102 -3.609 8.139 -17.184 1.00 0.00 C ATOM 1526 O VAL B 102 -3.716 6.915 -17.116 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.017 9.279 -14.952 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -4.739 10.467 -14.296 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.133 8.057 -14.024 1.00 0.00 C ATOM 0 H VAL B 102 -6.236 8.159 -15.492 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.595 10.018 -16.880 1.00 0.00 H new ATOM 0 HB VAL B 102 -2.953 9.482 -15.077 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.349 10.619 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -4.573 11.366 -14.889 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -5.808 10.259 -14.243 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -3.731 8.306 -13.042 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.181 7.773 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -3.570 7.225 -14.446 1.00 0.00 H new ATOM 1539 N LYS B 103 -2.674 8.743 -17.932 1.00 0.00 N ATOM 1540 CA LYS B 103 -1.603 8.060 -18.679 1.00 0.00 C ATOM 1541 C LYS B 103 -0.346 7.897 -17.803 1.00 0.00 C ATOM 1542 O LYS B 103 0.140 8.885 -17.244 1.00 0.00 O ATOM 1543 CB LYS B 103 -1.262 8.887 -19.938 1.00 0.00 C ATOM 1544 CG LYS B 103 -2.189 8.627 -21.136 1.00 0.00 C ATOM 1545 CD LYS B 103 -1.898 9.562 -22.326 1.00 0.00 C ATOM 1546 CE LYS B 103 -0.553 9.292 -23.023 1.00 0.00 C ATOM 1547 NZ LYS B 103 -0.295 10.282 -24.100 1.00 0.00 N ATOM 0 H LYS B 103 -2.640 9.757 -18.038 1.00 0.00 H new ATOM 0 HA LYS B 103 -1.947 7.067 -18.968 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -1.303 9.946 -19.685 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -0.236 8.670 -20.234 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -2.079 7.591 -21.457 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -3.225 8.755 -20.823 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.700 9.462 -23.057 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -1.913 10.594 -21.975 1.00 0.00 H new ATOM 0 HE2 LYS B 103 0.253 9.330 -22.290 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -0.554 8.286 -23.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 0.706 10.240 -24.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -0.892 10.063 -24.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -0.519 11.237 -23.755 1.00 0.00 H new ATOM 1561 N TYR B 104 0.209 6.683 -17.710 1.00 0.00 N ATOM 1562 CA TYR B 104 1.444 6.419 -16.948 1.00 0.00 C ATOM 1563 C TYR B 104 2.254 5.187 -17.404 1.00 0.00 C ATOM 1564 O TYR B 104 1.712 4.220 -17.949 1.00 0.00 O ATOM 1565 CB TYR B 104 1.130 6.340 -15.442 1.00 0.00 C ATOM 1566 CG TYR B 104 0.226 5.192 -15.028 1.00 0.00 C ATOM 1567 CD1 TYR B 104 0.770 3.919 -14.771 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -1.162 5.399 -14.900 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -0.071 2.848 -14.413 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -2.008 4.337 -14.526 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.463 3.055 -14.295 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.278 2.012 -13.987 1.00 0.00 O ATOM 0 H TYR B 104 -0.181 5.854 -18.159 1.00 0.00 H new ATOM 0 HA TYR B 104 2.097 7.267 -17.157 1.00 0.00 H new ATOM 0 HB2 TYR B 104 2.069 6.257 -14.895 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.665 7.277 -15.135 1.00 0.00 H new ATOM 0 HD1 TYR B 104 1.836 3.764 -14.849 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -1.579 6.377 -15.090 1.00 0.00 H new ATOM 0 HE1 TYR B 104 0.348 1.870 -14.229 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -3.070 4.502 -14.416 1.00 0.00 H new ATOM 0 HH TYR B 104 -1.794 1.170 -14.117 1.00 0.00 H new ATOM 1582 N ASP B 105 3.566 5.199 -17.142 1.00 0.00 N ATOM 1583 CA ASP B 105 4.466 4.057 -17.364 1.00 0.00 C ATOM 1584 C ASP B 105 5.507 3.915 -16.235 1.00 0.00 C ATOM 1585 O ASP B 105 6.155 4.882 -15.829 1.00 0.00 O ATOM 1586 CB ASP B 105 5.137 4.160 -18.744 1.00 0.00 C ATOM 1587 CG ASP B 105 5.733 2.815 -19.171 1.00 0.00 C ATOM 1588 OD1 ASP B 105 4.951 1.901 -19.518 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.974 2.646 -19.126 1.00 0.00 O ATOM 0 H ASP B 105 4.043 6.017 -16.763 1.00 0.00 H new ATOM 0 HA ASP B 105 3.863 3.149 -17.347 1.00 0.00 H new ATOM 0 HB2 ASP B 105 4.406 4.488 -19.483 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.922 4.916 -18.714 1.00 0.00 H new ATOM 1594 N ILE B 106 5.639 2.688 -15.726 1.00 0.00 N ATOM 1595 CA ILE B 106 6.409 2.286 -14.540 1.00 0.00 C ATOM 1596 C ILE B 106 7.662 1.537 -15.010 1.00 0.00 C ATOM 1597 O ILE B 106 7.557 0.568 -15.768 1.00 0.00 O ATOM 1598 CB ILE B 106 5.517 1.372 -13.645 1.00 0.00 C ATOM 1599 CG1 ILE B 106 4.182 2.058 -13.254 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.251 0.890 -12.373 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.172 1.142 -12.550 1.00 0.00 C ATOM 0 H ILE B 106 5.178 1.889 -16.162 1.00 0.00 H new ATOM 0 HA ILE B 106 6.711 3.155 -13.955 1.00 0.00 H new ATOM 0 HB ILE B 106 5.290 0.498 -14.256 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.401 2.903 -12.602 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.719 2.462 -14.155 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.585 0.258 -11.786 1.00 0.00 H new ATOM 0 HG22 ILE B 106 7.136 0.320 -12.657 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.551 1.752 -11.777 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.270 1.707 -12.315 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.918 0.309 -13.206 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.610 0.758 -11.629 1.00 0.00 H new ATOM 1613 N ASP B 107 8.844 1.934 -14.539 1.00 0.00 N ATOM 1614 CA ASP B 107 10.076 1.155 -14.690 1.00 0.00 C ATOM 1615 C ASP B 107 10.437 0.517 -13.345 1.00 0.00 C ATOM 1616 O ASP B 107 10.952 1.187 -12.450 1.00 0.00 O ATOM 1617 CB ASP B 107 11.226 2.028 -15.214 1.00 0.00 C ATOM 1618 CG ASP B 107 12.369 1.153 -15.731 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.186 0.537 -16.811 1.00 0.00 O ATOM 1620 OD2 ASP B 107 13.422 1.053 -15.064 1.00 0.00 O ATOM 0 H ASP B 107 8.976 2.812 -14.038 1.00 0.00 H new ATOM 0 HA ASP B 107 9.911 0.369 -15.426 1.00 0.00 H new ATOM 0 HB2 ASP B 107 10.865 2.675 -16.014 1.00 0.00 H new ATOM 0 HB3 ASP B 107 11.589 2.678 -14.418 1.00 0.00 H new ATOM 1625 N LEU B 108 10.148 -0.778 -13.185 1.00 0.00 N ATOM 1626 CA LEU B 108 10.392 -1.484 -11.924 1.00 0.00 C ATOM 1627 C LEU B 108 11.888 -1.646 -11.560 1.00 0.00 C ATOM 1628 O LEU B 108 12.172 -1.595 -10.360 1.00 0.00 O ATOM 1629 CB LEU B 108 9.608 -2.814 -11.927 1.00 0.00 C ATOM 1630 CG LEU B 108 9.422 -3.458 -10.533 1.00 0.00 C ATOM 1631 CD1 LEU B 108 8.635 -2.552 -9.572 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.691 -4.799 -10.678 1.00 0.00 C ATOM 0 H LEU B 108 9.743 -1.361 -13.917 1.00 0.00 H new ATOM 0 HA LEU B 108 10.015 -0.859 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.625 -2.640 -12.366 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.125 -3.523 -12.574 1.00 0.00 H new ATOM 0 HG LEU B 108 10.415 -3.608 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU B 108 8.531 -3.048 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.169 -1.611 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU B 108 7.647 -2.354 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU B 108 8.561 -5.251 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU B 108 7.714 -4.634 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.277 -5.467 -11.309 1.00 0.00 H new ATOM 1644 N PRO B 109 12.850 -1.798 -12.505 1.00 0.00 N ATOM 1645 CA PRO B 109 14.281 -1.819 -12.195 1.00 0.00 C ATOM 1646 C PRO B 109 14.775 -0.528 -11.527 1.00 0.00 C ATOM 1647 O PRO B 109 15.354 -0.590 -10.440 1.00 0.00 O ATOM 1648 CB PRO B 109 15.001 -2.086 -13.523 1.00 0.00 C ATOM 1649 CG PRO B 109 13.959 -2.841 -14.340 1.00 0.00 C ATOM 1650 CD PRO B 109 12.655 -2.181 -13.898 1.00 0.00 C ATOM 0 HA PRO B 109 14.494 -2.597 -11.462 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.301 -1.159 -14.012 1.00 0.00 H new ATOM 0 HB3 PRO B 109 15.905 -2.677 -13.379 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.126 -2.733 -15.412 1.00 0.00 H new ATOM 0 HG3 PRO B 109 13.968 -3.909 -14.122 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.430 -1.310 -14.514 1.00 0.00 H new ATOM 0 HD3 PRO B 109 11.816 -2.869 -14.000 1.00 0.00 H new ATOM 1658 N ASN B 110 14.530 0.638 -12.142 1.00 0.00 N ATOM 1659 CA ASN B 110 14.959 1.935 -11.603 1.00 0.00 C ATOM 1660 C ASN B 110 14.052 2.456 -10.465 1.00 0.00 C ATOM 1661 O ASN B 110 14.489 3.244 -9.621 1.00 0.00 O ATOM 1662 CB ASN B 110 15.010 2.946 -12.759 1.00 0.00 C ATOM 1663 CG ASN B 110 15.582 4.285 -12.309 1.00 0.00 C ATOM 1664 OD1 ASN B 110 14.865 5.184 -11.889 1.00 0.00 O ATOM 1665 ND2 ASN B 110 16.891 4.436 -12.343 1.00 0.00 N ATOM 0 H ASN B 110 14.029 0.708 -13.027 1.00 0.00 H new ATOM 0 HA ASN B 110 15.945 1.805 -11.156 1.00 0.00 H new ATOM 0 HB2 ASN B 110 15.619 2.543 -13.569 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.007 3.094 -13.158 1.00 0.00 H new ATOM 0 HD21 ASN B 110 17.313 5.306 -12.018 1.00 0.00 H new ATOM 0 HD22 ASN B 110 17.482 3.683 -12.694 1.00 0.00 H new ATOM 1672 N LYS B 111 12.786 2.023 -10.473 1.00 0.00 N ATOM 1673 CA LYS B 111 11.685 2.390 -9.571 1.00 0.00 C ATOM 1674 C LYS B 111 11.099 3.795 -9.856 1.00 0.00 C ATOM 1675 O LYS B 111 10.560 4.465 -8.965 1.00 0.00 O ATOM 1676 CB LYS B 111 12.036 2.160 -8.092 1.00 0.00 C ATOM 1677 CG LYS B 111 12.659 0.806 -7.756 1.00 0.00 C ATOM 1678 CD LYS B 111 12.839 0.721 -6.236 1.00 0.00 C ATOM 1679 CE LYS B 111 13.945 1.601 -5.641 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.296 1.103 -5.981 1.00 0.00 N ATOM 0 H LYS B 111 12.477 1.347 -11.172 1.00 0.00 H new ATOM 0 HA LYS B 111 10.871 1.700 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.725 2.943 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.128 2.277 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.020 -0.004 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.620 0.695 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS B 111 11.894 0.989 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS B 111 13.045 -0.316 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS B 111 13.832 2.621 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS B 111 13.835 1.638 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 16.013 1.727 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.414 0.139 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.412 1.092 -7.014 1.00 0.00 H new ATOM 1694 N LYS B 112 11.193 4.256 -11.111 1.00 0.00 N ATOM 1695 CA LYS B 112 10.572 5.503 -11.588 1.00 0.00 C ATOM 1696 C LYS B 112 9.179 5.261 -12.192 1.00 0.00 C ATOM 1697 O LYS B 112 8.882 4.175 -12.688 1.00 0.00 O ATOM 1698 CB LYS B 112 11.499 6.250 -12.570 1.00 0.00 C ATOM 1699 CG LYS B 112 11.916 5.418 -13.791 1.00 0.00 C ATOM 1700 CD LYS B 112 12.960 6.125 -14.670 1.00 0.00 C ATOM 1701 CE LYS B 112 12.378 7.218 -15.575 1.00 0.00 C ATOM 1702 NZ LYS B 112 11.585 6.643 -16.688 1.00 0.00 N ATOM 0 H LYS B 112 11.712 3.764 -11.838 1.00 0.00 H new ATOM 0 HA LYS B 112 10.429 6.144 -10.718 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.995 7.153 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS B 112 12.395 6.568 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS B 112 12.320 4.464 -13.453 1.00 0.00 H new ATOM 0 HG3 LYS B 112 11.034 5.196 -14.391 1.00 0.00 H new ATOM 0 HD2 LYS B 112 13.721 6.567 -14.027 1.00 0.00 H new ATOM 0 HD3 LYS B 112 13.460 5.382 -15.291 1.00 0.00 H new ATOM 0 HE2 LYS B 112 11.747 7.882 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS B 112 13.188 7.824 -15.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 12.128 6.711 -17.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 11.376 5.645 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 10.694 7.170 -16.788 1.00 0.00 H new ATOM 1716 N VAL B 113 8.343 6.297 -12.181 1.00 0.00 N ATOM 1717 CA VAL B 113 7.047 6.341 -12.869 1.00 0.00 C ATOM 1718 C VAL B 113 6.952 7.680 -13.598 1.00 0.00 C ATOM 1719 O VAL B 113 7.222 8.720 -13.000 1.00 0.00 O ATOM 1720 CB VAL B 113 5.850 6.183 -11.897 1.00 0.00 C ATOM 1721 CG1 VAL B 113 4.527 6.069 -12.677 1.00 0.00 C ATOM 1722 CG2 VAL B 113 6.003 4.951 -10.987 1.00 0.00 C ATOM 0 H VAL B 113 8.552 7.159 -11.678 1.00 0.00 H new ATOM 0 HA VAL B 113 6.993 5.504 -13.565 1.00 0.00 H new ATOM 0 HB VAL B 113 5.835 7.075 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.700 5.959 -11.976 1.00 0.00 H new ATOM 0 HG12 VAL B 113 4.379 6.968 -13.275 1.00 0.00 H new ATOM 0 HG13 VAL B 113 4.565 5.199 -13.333 1.00 0.00 H new ATOM 0 HG21 VAL B 113 5.142 4.880 -10.323 1.00 0.00 H new ATOM 0 HG22 VAL B 113 6.064 4.051 -11.600 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.912 5.048 -10.393 1.00 0.00 H new ATOM 1732 N CYS B 114 6.584 7.656 -14.879 1.00 0.00 N ATOM 1733 CA CYS B 114 6.367 8.859 -15.687 1.00 0.00 C ATOM 1734 C CYS B 114 4.877 8.987 -16.001 1.00 0.00 C ATOM 1735 O CYS B 114 4.275 8.044 -16.522 1.00 0.00 O ATOM 1736 CB CYS B 114 7.229 8.791 -16.954 1.00 0.00 C ATOM 1737 SG CYS B 114 8.970 8.720 -16.450 1.00 0.00 S ATOM 0 H CYS B 114 6.426 6.789 -15.393 1.00 0.00 H new ATOM 0 HA CYS B 114 6.670 9.751 -15.139 1.00 0.00 H new ATOM 0 HB2 CYS B 114 6.968 7.913 -17.545 1.00 0.00 H new ATOM 0 HB3 CYS B 114 7.050 9.663 -17.583 1.00 0.00 H new ATOM 0 HG CYS B 114 9.730 8.872 -17.493 1.00 0.00 H new ATOM 1743 N ILE B 115 4.281 10.132 -15.671 1.00 0.00 N ATOM 1744 CA ILE B 115 2.829 10.377 -15.747 1.00 0.00 C ATOM 1745 C ILE B 115 2.559 11.533 -16.726 1.00 0.00 C ATOM 1746 O ILE B 115 3.435 12.373 -16.969 1.00 0.00 O ATOM 1747 CB ILE B 115 2.239 10.595 -14.317 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.595 9.401 -13.392 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.716 10.841 -14.337 1.00 0.00 C ATOM 1750 CD1 ILE B 115 2.032 9.464 -11.966 1.00 0.00 C ATOM 0 H ILE B 115 4.803 10.941 -15.334 1.00 0.00 H new ATOM 0 HA ILE B 115 2.310 9.505 -16.145 1.00 0.00 H new ATOM 0 HB ILE B 115 2.697 11.499 -13.916 1.00 0.00 H new ATOM 0 HG12 ILE B 115 2.239 8.484 -13.862 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.681 9.326 -13.330 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.357 10.986 -13.318 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.499 11.731 -14.928 1.00 0.00 H new ATOM 0 HG23 ILE B 115 0.214 9.980 -14.779 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.345 8.579 -11.412 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.408 10.357 -11.466 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.943 9.501 -12.006 1.00 0.00 H new ATOM 1762 N GLU B 116 1.358 11.546 -17.306 1.00 0.00 N ATOM 1763 CA GLU B 116 0.832 12.610 -18.156 1.00 0.00 C ATOM 1764 C GLU B 116 -0.630 12.894 -17.759 1.00 0.00 C ATOM 1765 O GLU B 116 -1.553 12.181 -18.160 1.00 0.00 O ATOM 1766 CB GLU B 116 0.989 12.172 -19.623 1.00 0.00 C ATOM 1767 CG GLU B 116 0.523 13.215 -20.645 1.00 0.00 C ATOM 1768 CD GLU B 116 0.640 12.676 -22.071 1.00 0.00 C ATOM 1769 OE1 GLU B 116 1.699 12.130 -22.453 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -0.327 12.804 -22.857 1.00 0.00 O ATOM 0 H GLU B 116 0.696 10.778 -17.189 1.00 0.00 H new ATOM 0 HA GLU B 116 1.380 13.544 -18.028 1.00 0.00 H new ATOM 0 HB2 GLU B 116 2.037 11.940 -19.811 1.00 0.00 H new ATOM 0 HB3 GLU B 116 0.426 11.252 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -0.511 13.492 -20.441 1.00 0.00 H new ATOM 0 HG3 GLU B 116 1.122 14.120 -20.544 1.00 0.00 H new ATOM 1777 N SER B 117 -0.856 13.930 -16.947 1.00 0.00 N ATOM 1778 CA SER B 117 -2.175 14.266 -16.379 1.00 0.00 C ATOM 1779 C SER B 117 -2.432 15.783 -16.284 1.00 0.00 C ATOM 1780 O SER B 117 -1.499 16.583 -16.193 1.00 0.00 O ATOM 1781 CB SER B 117 -2.304 13.632 -14.982 1.00 0.00 C ATOM 1782 OG SER B 117 -3.549 13.940 -14.367 1.00 0.00 O ATOM 0 H SER B 117 -0.119 14.573 -16.658 1.00 0.00 H new ATOM 0 HA SER B 117 -2.926 13.864 -17.060 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.199 12.550 -15.064 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.490 13.984 -14.348 1.00 0.00 H new ATOM 0 HG SER B 117 -3.591 13.518 -13.484 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.712 16.183 -16.258 1.00 0.00 N ATOM 1789 CA GLU B 118 -4.139 17.578 -16.063 1.00 0.00 C ATOM 1790 C GLU B 118 -3.938 18.098 -14.633 1.00 0.00 C ATOM 1791 O GLU B 118 -3.942 19.309 -14.405 1.00 0.00 O ATOM 1792 CB GLU B 118 -5.618 17.754 -16.471 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.597 16.984 -15.565 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.062 17.183 -15.947 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -8.514 18.346 -16.079 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -8.802 16.178 -16.065 1.00 0.00 O ATOM 0 H GLU B 118 -4.493 15.537 -16.374 1.00 0.00 H new ATOM 0 HA GLU B 118 -3.493 18.174 -16.707 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -5.870 18.814 -16.448 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.746 17.418 -17.500 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.360 15.921 -15.607 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -6.452 17.302 -14.533 1.00 0.00 H new ATOM 1803 N HIS B 119 -3.790 17.196 -13.671 1.00 0.00 N ATOM 1804 CA HIS B 119 -3.736 17.521 -12.245 1.00 0.00 C ATOM 1805 C HIS B 119 -2.337 17.997 -11.806 1.00 0.00 C ATOM 1806 O HIS B 119 -1.325 17.679 -12.434 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.231 16.312 -11.431 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.677 15.944 -11.692 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -6.775 16.751 -11.482 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.150 14.747 -12.168 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.873 16.062 -11.832 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.548 14.827 -12.260 1.00 0.00 N ATOM 0 H HIS B 119 -3.702 16.198 -13.860 1.00 0.00 H new ATOM 0 HA HIS B 119 -4.399 18.364 -12.051 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.601 15.452 -11.658 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.107 16.526 -10.369 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.548 13.889 -12.428 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.881 16.446 -11.778 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.186 14.100 -12.584 1.00 0.00 H new ATOM 1820 N SER B 120 -2.267 18.779 -10.729 1.00 0.00 N ATOM 1821 CA SER B 120 -1.010 19.342 -10.220 1.00 0.00 C ATOM 1822 C SER B 120 -0.178 18.302 -9.442 1.00 0.00 C ATOM 1823 O SER B 120 -0.730 17.366 -8.859 1.00 0.00 O ATOM 1824 CB SER B 120 -1.313 20.564 -9.336 1.00 0.00 C ATOM 1825 OG SER B 120 -2.192 21.482 -9.978 1.00 0.00 O ATOM 0 H SER B 120 -3.085 19.043 -10.179 1.00 0.00 H new ATOM 0 HA SER B 120 -0.410 19.650 -11.076 1.00 0.00 H new ATOM 0 HB2 SER B 120 -1.758 20.232 -8.398 1.00 0.00 H new ATOM 0 HB3 SER B 120 -0.381 21.070 -9.085 1.00 0.00 H new ATOM 0 HG SER B 120 -2.361 22.243 -9.384 1.00 0.00 H new ATOM 1831 N MET B 121 1.154 18.463 -9.389 1.00 0.00 N ATOM 1832 CA MET B 121 2.059 17.476 -8.765 1.00 0.00 C ATOM 1833 C MET B 121 1.748 17.170 -7.292 1.00 0.00 C ATOM 1834 O MET B 121 1.894 16.025 -6.870 1.00 0.00 O ATOM 1835 CB MET B 121 3.543 17.834 -8.994 1.00 0.00 C ATOM 1836 CG MET B 121 3.982 19.279 -8.694 1.00 0.00 C ATOM 1837 SD MET B 121 3.799 19.917 -7.006 1.00 0.00 S ATOM 1838 CE MET B 121 4.946 18.846 -6.107 1.00 0.00 C ATOM 0 H MET B 121 1.635 19.276 -9.775 1.00 0.00 H new ATOM 0 HA MET B 121 1.863 16.538 -9.284 1.00 0.00 H new ATOM 0 HB2 MET B 121 4.148 17.165 -8.382 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.784 17.619 -10.035 1.00 0.00 H new ATOM 0 HG2 MET B 121 5.033 19.368 -8.968 1.00 0.00 H new ATOM 0 HG3 MET B 121 3.423 19.938 -9.358 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.804 18.980 -5.035 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.756 17.806 -6.371 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.971 19.106 -6.373 1.00 0.00 H new ATOM 1848 N ASP B 122 1.227 18.138 -6.536 1.00 0.00 N ATOM 1849 CA ASP B 122 0.759 17.961 -5.159 1.00 0.00 C ATOM 1850 C ASP B 122 -0.406 16.960 -5.057 1.00 0.00 C ATOM 1851 O ASP B 122 -0.432 16.139 -4.136 1.00 0.00 O ATOM 1852 CB ASP B 122 0.335 19.335 -4.619 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.244 19.229 -3.207 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.554 19.113 -2.246 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.490 19.193 -3.085 1.00 0.00 O ATOM 0 H ASP B 122 1.116 19.094 -6.874 1.00 0.00 H new ATOM 0 HA ASP B 122 1.572 17.545 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP B 122 1.195 20.005 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.407 19.776 -5.285 1.00 0.00 H new ATOM 1860 N THR B 123 -1.339 17.015 -6.016 1.00 0.00 N ATOM 1861 CA THR B 123 -2.522 16.145 -6.123 1.00 0.00 C ATOM 1862 C THR B 123 -2.112 14.731 -6.498 1.00 0.00 C ATOM 1863 O THR B 123 -2.637 13.769 -5.935 1.00 0.00 O ATOM 1864 CB THR B 123 -3.474 16.694 -7.193 1.00 0.00 C ATOM 1865 OG1 THR B 123 -3.717 18.051 -6.921 1.00 0.00 O ATOM 1866 CG2 THR B 123 -4.817 15.967 -7.221 1.00 0.00 C ATOM 0 H THR B 123 -1.290 17.697 -6.773 1.00 0.00 H new ATOM 0 HA THR B 123 -3.024 16.125 -5.156 1.00 0.00 H new ATOM 0 HB THR B 123 -2.995 16.548 -8.161 1.00 0.00 H new ATOM 0 HG1 THR B 123 -4.323 18.417 -7.598 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.448 16.399 -7.997 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.654 14.910 -7.432 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.308 16.073 -6.254 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.156 14.614 -7.424 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.575 13.340 -7.848 1.00 0.00 C ATOM 1876 C LEU B 124 0.187 12.678 -6.691 1.00 0.00 C ATOM 1877 O LEU B 124 -0.052 11.502 -6.425 1.00 0.00 O ATOM 1878 CB LEU B 124 0.306 13.569 -9.092 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.457 14.095 -10.330 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.528 14.391 -11.467 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.520 13.104 -10.826 1.00 0.00 C ATOM 0 H LEU B 124 -0.758 15.418 -7.908 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.367 12.645 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU B 124 1.094 14.278 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.794 12.630 -9.354 1.00 0.00 H new ATOM 0 HG LEU B 124 -0.968 15.008 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.018 14.761 -12.335 1.00 0.00 H new ATOM 0 HD12 LEU B 124 1.244 15.145 -11.141 1.00 0.00 H new ATOM 0 HD13 LEU B 124 1.059 13.478 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.027 13.520 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.041 12.164 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.247 12.924 -10.034 1.00 0.00 H new ATOM 1893 N LEU B 125 1.009 13.428 -5.944 1.00 0.00 N ATOM 1894 CA LEU B 125 1.636 12.955 -4.701 1.00 0.00 C ATOM 1895 C LEU B 125 0.596 12.502 -3.671 1.00 0.00 C ATOM 1896 O LEU B 125 0.751 11.429 -3.099 1.00 0.00 O ATOM 1897 CB LEU B 125 2.531 14.057 -4.095 1.00 0.00 C ATOM 1898 CG LEU B 125 3.904 14.250 -4.764 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.591 15.470 -4.135 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.805 13.011 -4.607 1.00 0.00 C ATOM 0 H LEU B 125 1.260 14.387 -6.187 1.00 0.00 H new ATOM 0 HA LEU B 125 2.249 12.091 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.991 15.003 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.690 13.830 -3.041 1.00 0.00 H new ATOM 0 HG LEU B 125 3.745 14.402 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.566 15.619 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.975 16.356 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU B 125 4.721 15.303 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.763 13.193 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU B 125 4.969 12.812 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.322 12.149 -5.067 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.475 13.272 -3.449 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.517 12.925 -2.478 1.00 0.00 C ATOM 1914 C ALA B 126 -2.215 11.588 -2.801 1.00 0.00 C ATOM 1915 O ALA B 126 -2.532 10.839 -1.874 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.504 14.095 -2.376 1.00 0.00 C ATOM 0 H ALA B 126 -0.643 14.152 -3.937 1.00 0.00 H new ATOM 0 HA ALA B 126 -1.052 12.765 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -3.285 13.850 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.975 14.990 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.954 14.278 -3.352 1.00 0.00 H new ATOM 1922 N THR B 127 -2.399 11.257 -4.091 1.00 0.00 N ATOM 1923 CA THR B 127 -2.847 9.927 -4.543 1.00 0.00 C ATOM 1924 C THR B 127 -1.746 8.887 -4.352 1.00 0.00 C ATOM 1925 O THR B 127 -1.989 7.886 -3.688 1.00 0.00 O ATOM 1926 CB THR B 127 -3.364 9.990 -5.986 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.649 10.564 -5.955 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.546 8.623 -6.646 1.00 0.00 C ATOM 0 H THR B 127 -2.239 11.911 -4.857 1.00 0.00 H new ATOM 0 HA THR B 127 -3.685 9.608 -3.923 1.00 0.00 H new ATOM 0 HB THR B 127 -2.622 10.553 -6.553 1.00 0.00 H new ATOM 0 HG1 THR B 127 -5.069 10.474 -6.836 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.914 8.756 -7.663 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.589 8.101 -6.672 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.265 8.036 -6.074 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.539 9.108 -4.888 1.00 0.00 N ATOM 1937 CA LEU B 128 0.569 8.138 -4.845 1.00 0.00 C ATOM 1938 C LEU B 128 0.935 7.701 -3.418 1.00 0.00 C ATOM 1939 O LEU B 128 1.216 6.522 -3.200 1.00 0.00 O ATOM 1940 CB LEU B 128 1.798 8.737 -5.556 1.00 0.00 C ATOM 1941 CG LEU B 128 1.704 8.779 -7.096 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.824 9.671 -7.656 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.818 7.373 -7.707 1.00 0.00 C ATOM 0 H LEU B 128 -0.299 9.974 -5.370 1.00 0.00 H new ATOM 0 HA LEU B 128 0.234 7.238 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU B 128 1.953 9.751 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.679 8.159 -5.276 1.00 0.00 H new ATOM 0 HG LEU B 128 0.729 9.187 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.757 9.700 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.718 10.681 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.793 9.266 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.748 7.441 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.777 6.934 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.010 6.746 -7.330 1.00 0.00 H new ATOM 1955 N LYS B 129 0.868 8.604 -2.438 1.00 0.00 N ATOM 1956 CA LYS B 129 1.075 8.315 -1.010 1.00 0.00 C ATOM 1957 C LYS B 129 0.142 7.219 -0.452 1.00 0.00 C ATOM 1958 O LYS B 129 0.508 6.523 0.498 1.00 0.00 O ATOM 1959 CB LYS B 129 0.910 9.629 -0.229 1.00 0.00 C ATOM 1960 CG LYS B 129 2.153 10.536 -0.336 1.00 0.00 C ATOM 1961 CD LYS B 129 1.912 11.976 0.149 1.00 0.00 C ATOM 1962 CE LYS B 129 1.116 12.016 1.458 1.00 0.00 C ATOM 1963 NZ LYS B 129 1.107 13.358 2.082 1.00 0.00 N ATOM 0 H LYS B 129 0.662 9.587 -2.617 1.00 0.00 H new ATOM 0 HA LYS B 129 2.081 7.912 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS B 129 0.039 10.165 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS B 129 0.717 9.403 0.820 1.00 0.00 H new ATOM 0 HG2 LYS B 129 2.963 10.097 0.246 1.00 0.00 H new ATOM 0 HG3 LYS B 129 2.484 10.562 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS B 129 2.870 12.475 0.292 1.00 0.00 H new ATOM 0 HD3 LYS B 129 1.374 12.532 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS B 129 0.090 11.704 1.264 1.00 0.00 H new ATOM 0 HE3 LYS B 129 1.541 11.297 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 0.555 13.328 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 2.083 13.649 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 0.677 14.042 1.428 1.00 0.00 H new ATOM 1977 N LYS B 130 -1.035 6.982 -1.048 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.930 5.875 -0.659 1.00 0.00 C ATOM 1979 C LYS B 130 -1.340 4.478 -0.954 1.00 0.00 C ATOM 1980 O LYS B 130 -1.730 3.499 -0.326 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.316 6.072 -1.291 1.00 0.00 C ATOM 1982 CG LYS B 130 -4.022 7.338 -0.776 1.00 0.00 C ATOM 1983 CD LYS B 130 -5.452 7.496 -1.316 1.00 0.00 C ATOM 1984 CE LYS B 130 -6.393 6.303 -1.072 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.607 6.002 0.364 1.00 0.00 N ATOM 0 H LYS B 130 -1.396 7.551 -1.814 1.00 0.00 H new ATOM 0 HA LYS B 130 -2.038 5.907 0.425 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -3.213 6.132 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.936 5.201 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -4.053 7.311 0.313 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -3.436 8.213 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -5.895 8.383 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.397 7.678 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -7.356 6.509 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.983 5.420 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -7.249 5.189 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.696 5.776 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -7.026 6.830 0.833 1.00 0.00 H new ATOM 1999 N THR B 131 -0.314 4.380 -1.814 1.00 0.00 N ATOM 2000 CA THR B 131 0.491 3.155 -2.031 1.00 0.00 C ATOM 2001 C THR B 131 1.256 2.720 -0.771 1.00 0.00 C ATOM 2002 O THR B 131 1.761 1.601 -0.732 1.00 0.00 O ATOM 2003 CB THR B 131 1.460 3.325 -3.217 1.00 0.00 C ATOM 2004 OG1 THR B 131 0.841 4.061 -4.243 1.00 0.00 O ATOM 2005 CG2 THR B 131 1.882 1.996 -3.849 1.00 0.00 C ATOM 0 H THR B 131 -0.010 5.163 -2.393 1.00 0.00 H new ATOM 0 HA THR B 131 -0.217 2.361 -2.270 1.00 0.00 H new ATOM 0 HB THR B 131 2.336 3.827 -2.806 1.00 0.00 H new ATOM 0 HG1 THR B 131 0.977 5.019 -4.087 1.00 0.00 H new ATOM 0 HG21 THR B 131 2.564 2.187 -4.678 1.00 0.00 H new ATOM 0 HG22 THR B 131 2.383 1.381 -3.102 1.00 0.00 H new ATOM 0 HG23 THR B 131 1.000 1.472 -4.218 1.00 0.00 H new ATOM 2013 N GLY B 132 1.354 3.572 0.261 1.00 0.00 N ATOM 2014 CA GLY B 132 1.976 3.227 1.544 1.00 0.00 C ATOM 2015 C GLY B 132 3.484 3.053 1.395 1.00 0.00 C ATOM 2016 O GLY B 132 4.048 2.025 1.772 1.00 0.00 O ATOM 0 H GLY B 132 1.000 4.528 0.226 1.00 0.00 H new ATOM 0 HA2 GLY B 132 1.768 4.009 2.274 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.537 2.306 1.928 1.00 0.00 H new ATOM 2020 N LYS B 133 4.121 4.034 0.758 1.00 0.00 N ATOM 2021 CA LYS B 133 5.491 3.968 0.250 1.00 0.00 C ATOM 2022 C LYS B 133 6.168 5.337 0.348 1.00 0.00 C ATOM 2023 O LYS B 133 5.501 6.364 0.175 1.00 0.00 O ATOM 2024 CB LYS B 133 5.422 3.471 -1.214 1.00 0.00 C ATOM 2025 CG LYS B 133 6.628 2.640 -1.681 1.00 0.00 C ATOM 2026 CD LYS B 133 6.821 1.296 -0.953 1.00 0.00 C ATOM 2027 CE LYS B 133 5.531 0.467 -0.916 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.754 -0.880 -0.341 1.00 0.00 N ATOM 0 H LYS B 133 3.678 4.934 0.574 1.00 0.00 H new ATOM 0 HA LYS B 133 6.091 3.279 0.845 1.00 0.00 H new ATOM 0 HB2 LYS B 133 4.520 2.872 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS B 133 5.321 4.336 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS B 133 6.523 2.445 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS B 133 7.531 3.237 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.604 0.724 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS B 133 7.161 1.482 0.066 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.779 0.993 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.134 0.369 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 5.207 -1.582 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.766 -1.116 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.446 -0.889 0.652 1.00 0.00 H new ATOM 2042 N THR B 134 7.487 5.357 0.576 1.00 0.00 N ATOM 2043 CA THR B 134 8.283 6.583 0.494 1.00 0.00 C ATOM 2044 C THR B 134 8.403 6.960 -0.981 1.00 0.00 C ATOM 2045 O THR B 134 9.114 6.298 -1.738 1.00 0.00 O ATOM 2046 CB THR B 134 9.643 6.427 1.182 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.495 5.902 2.484 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.290 7.796 1.345 1.00 0.00 C ATOM 0 H THR B 134 8.028 4.528 0.821 1.00 0.00 H new ATOM 0 HA THR B 134 7.789 7.392 1.032 1.00 0.00 H new ATOM 0 HB THR B 134 10.246 5.760 0.566 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.377 5.810 2.902 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.258 7.685 1.834 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.429 8.252 0.365 1.00 0.00 H new ATOM 0 HG23 THR B 134 9.647 8.432 1.953 1.00 0.00 H new ATOM 2056 N VAL B 135 7.652 7.978 -1.388 1.00 0.00 N ATOM 2057 CA VAL B 135 7.521 8.450 -2.781 1.00 0.00 C ATOM 2058 C VAL B 135 8.066 9.874 -2.943 1.00 0.00 C ATOM 2059 O VAL B 135 7.879 10.720 -2.071 1.00 0.00 O ATOM 2060 CB VAL B 135 6.058 8.343 -3.284 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.029 9.124 -2.446 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.928 8.769 -4.758 1.00 0.00 C ATOM 0 H VAL B 135 7.090 8.526 -0.737 1.00 0.00 H new ATOM 0 HA VAL B 135 8.128 7.794 -3.405 1.00 0.00 H new ATOM 0 HB VAL B 135 5.821 7.285 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.035 8.990 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL B 135 5.037 8.752 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL B 135 5.286 10.183 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.888 8.680 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.253 9.804 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.551 8.125 -5.379 1.00 0.00 H new ATOM 2072 N SER B 136 8.724 10.142 -4.072 1.00 0.00 N ATOM 2073 CA SER B 136 9.279 11.453 -4.434 1.00 0.00 C ATOM 2074 C SER B 136 8.851 11.912 -5.835 1.00 0.00 C ATOM 2075 O SER B 136 8.812 11.122 -6.777 1.00 0.00 O ATOM 2076 CB SER B 136 10.813 11.415 -4.373 1.00 0.00 C ATOM 2077 OG SER B 136 11.276 11.383 -3.033 1.00 0.00 O ATOM 0 H SER B 136 8.892 9.432 -4.784 1.00 0.00 H new ATOM 0 HA SER B 136 8.884 12.167 -3.711 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.178 10.538 -4.907 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.221 12.290 -4.880 1.00 0.00 H new ATOM 0 HG SER B 136 12.256 11.357 -3.026 1.00 0.00 H new ATOM 2083 N TYR B 137 8.586 13.212 -5.989 1.00 0.00 N ATOM 2084 CA TYR B 137 8.336 13.886 -7.271 1.00 0.00 C ATOM 2085 C TYR B 137 9.626 14.524 -7.820 1.00 0.00 C ATOM 2086 O TYR B 137 10.405 15.101 -7.060 1.00 0.00 O ATOM 2087 CB TYR B 137 7.250 14.949 -7.051 1.00 0.00 C ATOM 2088 CG TYR B 137 7.203 16.037 -8.103 1.00 0.00 C ATOM 2089 CD1 TYR B 137 6.741 15.764 -9.406 1.00 0.00 C ATOM 2090 CD2 TYR B 137 7.680 17.321 -7.783 1.00 0.00 C ATOM 2091 CE1 TYR B 137 6.726 16.784 -10.375 1.00 0.00 C ATOM 2092 CE2 TYR B 137 7.668 18.341 -8.747 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.181 18.080 -10.045 1.00 0.00 C ATOM 2094 OH TYR B 137 7.161 19.068 -10.977 1.00 0.00 O ATOM 0 H TYR B 137 8.537 13.851 -5.195 1.00 0.00 H new ATOM 0 HA TYR B 137 7.999 13.159 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.279 14.454 -7.017 1.00 0.00 H new ATOM 0 HB3 TYR B 137 7.407 15.412 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.398 14.772 -9.661 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.057 17.523 -6.791 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.366 16.576 -11.372 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.032 19.326 -8.495 1.00 0.00 H new ATOM 0 HH TYR B 137 7.507 19.896 -10.583 1.00 0.00 H new ATOM 2104 N LEU B 138 9.845 14.437 -9.140 1.00 0.00 N ATOM 2105 CA LEU B 138 11.100 14.807 -9.807 1.00 0.00 C ATOM 2106 C LEU B 138 10.857 15.610 -11.103 1.00 0.00 C ATOM 2107 O LEU B 138 11.447 15.318 -12.149 1.00 0.00 O ATOM 2108 CB LEU B 138 11.889 13.501 -10.083 1.00 0.00 C ATOM 2109 CG LEU B 138 12.251 12.646 -8.850 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.871 11.324 -9.322 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.237 13.361 -7.915 1.00 0.00 C ATOM 0 H LEU B 138 9.135 14.098 -9.789 1.00 0.00 H new ATOM 0 HA LEU B 138 11.678 15.467 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.303 12.886 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.812 13.762 -10.601 1.00 0.00 H new ATOM 0 HG LEU B 138 11.334 12.467 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.130 10.714 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU B 138 12.154 10.787 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.770 11.531 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.461 12.719 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.158 13.580 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU B 138 12.794 14.292 -7.562 1.00 0.00 H new ATOM 2123 N GLY B 139 10.090 16.701 -11.019 1.00 0.00 N ATOM 2124 CA GLY B 139 10.000 17.731 -12.066 1.00 0.00 C ATOM 2125 C GLY B 139 9.103 17.404 -13.265 1.00 0.00 C ATOM 2126 O GLY B 139 8.542 16.311 -13.396 1.00 0.00 O ATOM 0 H GLY B 139 9.503 16.899 -10.209 1.00 0.00 H new ATOM 0 HA2 GLY B 139 9.638 18.652 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.006 17.932 -12.436 1.00 0.00 H new ATOM 2130 N LEU B 140 9.004 18.380 -14.175 1.00 0.00 N ATOM 2131 CA LEU B 140 8.367 18.272 -15.483 1.00 0.00 C ATOM 2132 C LEU B 140 9.384 17.861 -16.562 1.00 0.00 C ATOM 2133 O LEU B 140 10.582 18.133 -16.449 1.00 0.00 O ATOM 2134 CB LEU B 140 7.733 19.637 -15.819 1.00 0.00 C ATOM 2135 CG LEU B 140 6.221 19.729 -15.528 1.00 0.00 C ATOM 2136 CD1 LEU B 140 5.923 19.666 -14.024 1.00 0.00 C ATOM 2137 CD2 LEU B 140 5.661 21.035 -16.109 1.00 0.00 C ATOM 0 H LEU B 140 9.386 19.310 -14.006 1.00 0.00 H new ATOM 0 HA LEU B 140 7.600 17.498 -15.458 1.00 0.00 H new ATOM 0 HB2 LEU B 140 8.247 20.412 -15.251 1.00 0.00 H new ATOM 0 HB3 LEU B 140 7.901 19.851 -16.874 1.00 0.00 H new ATOM 0 HG LEU B 140 5.740 18.872 -16.000 1.00 0.00 H new ATOM 0 HD11 LEU B 140 4.847 19.734 -13.863 1.00 0.00 H new ATOM 0 HD12 LEU B 140 6.292 18.723 -13.619 1.00 0.00 H new ATOM 0 HD13 LEU B 140 6.418 20.496 -13.520 1.00 0.00 H new ATOM 0 HD21 LEU B 140 4.593 21.097 -15.902 1.00 0.00 H new ATOM 0 HD22 LEU B 140 6.169 21.884 -15.652 1.00 0.00 H new ATOM 0 HD23 LEU B 140 5.823 21.053 -17.187 1.00 0.00 H new ATOM 2149 N GLU B 141 8.892 17.235 -17.636 1.00 0.00 N ATOM 2150 CA GLU B 141 9.652 16.965 -18.874 1.00 0.00 C ATOM 2151 C GLU B 141 9.863 18.235 -19.710 1.00 0.00 C ATOM 2152 O GLU B 141 11.022 18.521 -20.099 1.00 0.00 O ATOM 2153 CB GLU B 141 8.932 15.873 -19.691 1.00 0.00 C ATOM 2154 CG GLU B 141 9.824 15.360 -20.829 1.00 0.00 C ATOM 2155 CD GLU B 141 9.160 14.319 -21.746 1.00 0.00 C ATOM 2156 OE1 GLU B 141 8.100 14.617 -22.346 1.00 0.00 O ATOM 2157 OE2 GLU B 141 9.754 13.228 -21.944 1.00 0.00 O ATOM 2158 OXT GLU B 141 8.866 18.943 -19.983 1.00 0.00 O ATOM 0 H GLU B 141 7.932 16.892 -17.676 1.00 0.00 H new ATOM 0 HA GLU B 141 10.644 16.610 -18.596 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.659 15.045 -19.037 1.00 0.00 H new ATOM 0 HB3 GLU B 141 8.005 16.273 -20.103 1.00 0.00 H new ATOM 0 HG2 GLU B 141 10.141 16.209 -21.435 1.00 0.00 H new ATOM 0 HG3 GLU B 141 10.724 14.923 -20.398 1.00 0.00 H new