USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -158:sc= -0.0627 (180deg=-0.236) USER MOD Set 1.2: B 74 MET CE :methyl 158:sc= -0.0989 (180deg=-0.255) USER MOD Set 2.1: A 78 SER OG : rot -91:sc= 1.18 USER MOD Set 2.2: B 71 GLN : amide:sc= 0.407 K(o=1.6,f=-4.6!) USER MOD Set 3.1: A 0 MET N :NH3+ 180:sc= 1.97 (180deg=0.932) USER MOD Set 3.2: B 41 SER OG : rot 120:sc= 0.422 USER MOD Set 3.3: B 42 HIS : no HE2:sc= -1.43 K(o=0.96,f=-19!) USER MOD Set 4.1: B 25 HIS : no HD1:sc= -1.8 K(o=-3,f=-1.8) USER MOD Set 4.2: B 26 LYS NZ :NH3+ -168:sc= -1.2 (180deg=-0.372) USER MOD Set 5.1: A 71 GLN : amide:sc= 0.376 K(o=1.5,f=-4.9!) USER MOD Set 5.2: B 78 SER OG : rot -94:sc= 1.14 USER MOD Set 6.1: A 41 SER OG : rot 180:sc= 0.464 USER MOD Set 6.2: A 42 HIS : no HE2:sc= -1.88 K(o=0.17,f=-20!) USER MOD Set 6.3: B 0 MET N :NH3+ 178:sc= 1.58 (180deg=0.838) USER MOD Set 7.1: A 25 HIS : no HD1:sc= -1.91! K(o=-3!,f=-1.9) USER MOD Set 7.2: A 26 LYS NZ :NH3+ -171:sc= -1.1 (180deg=-0.397) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.159 USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.151 (180deg=-0.975) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-11!) USER MOD Single : A 16 GLN : amide:sc= -0.153 K(o=-0.15,f=-1) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc=-0.00616 (180deg=-0.309) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= 1.07 (180deg=-0.767) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -2.25 (180deg=-2.82!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= -2.43 (180deg=-6.81!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -1.1 (180deg=-1.85) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 68 CYS SG : rot -28:sc= 0.152 USER MOD Single : A 79 MET CE :methyl -119:sc=-0.00445 (180deg=-0.05) USER MOD Single : A 81 THR OG1 : rot -100:sc= 1.04 USER MOD Single : A 82 THR OG1 : rot -64:sc= -0.407 USER MOD Single : A 84 CYS SG : rot 96:sc= -0.628 USER MOD Single : A 85 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-2.1!) USER MOD Single : A 90 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5.5!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -0.177 USER MOD Single : B 5 LYS NZ :NH3+ -142:sc= -0.131 (180deg=-0.876) USER MOD Single : B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-10!) USER MOD Single : B 16 GLN : amide:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -162:sc= -0.0181 (180deg=-0.312) USER MOD Single : B 28 LYS NZ :NH3+ -139:sc= 1.04 (180deg=-0.701) USER MOD Single : B 29 LYS NZ :NH3+ 151:sc= -2.3 (180deg=-2.88!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.998 X(o=-1,f=-1.3) USER MOD Single : B 38 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.3) USER MOD Single : B 48 LYS NZ :NH3+ -115:sc= -2.5 (180deg=-6.91!) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 152:sc= -1.15 (180deg=-1.8) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 89:sc= 1.09 USER MOD Single : B 68 CYS SG : rot -20:sc= -0.0833! USER MOD Single : B 79 MET CE :methyl -119:sc=-0.00377 (180deg=-0.0409) USER MOD Single : B 81 THR OG1 : rot -97:sc= 1.16 USER MOD Single : B 82 THR OG1 : rot -73:sc= -0.319 USER MOD Single : B 84 CYS SG : rot 98:sc= -0.712 USER MOD Single : B 85 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.1) USER MOD Single : B 90 HIS : no HD1:sc= 1.03 K(o=1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.483 7.320 13.100 1.00 0.00 N ATOM 2 CA MET A 0 -10.216 6.762 13.650 1.00 0.00 C ATOM 3 C MET A 0 -10.341 5.241 13.780 1.00 0.00 C ATOM 4 O MET A 0 -10.087 4.676 14.825 1.00 0.00 O ATOM 5 CB MET A 0 -9.948 7.375 15.027 1.00 0.00 C ATOM 6 CG MET A 0 -8.492 7.130 15.427 1.00 0.00 C ATOM 7 SD MET A 0 -8.229 7.691 17.127 1.00 0.00 S ATOM 8 CE MET A 0 -6.683 6.799 17.426 1.00 0.00 C ATOM 0 H1 MET A 0 -11.398 8.353 13.012 1.00 0.00 H new ATOM 0 H2 MET A 0 -11.667 6.906 12.164 1.00 0.00 H new ATOM 0 H3 MET A 0 -12.270 7.091 13.740 1.00 0.00 H new ATOM 0 HA MET A 0 -9.390 7.000 12.979 1.00 0.00 H new ATOM 0 HB2 MET A 0 -10.154 8.445 15.005 1.00 0.00 H new ATOM 0 HB3 MET A 0 -10.617 6.936 15.767 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.254 6.070 15.342 1.00 0.00 H new ATOM 0 HG3 MET A 0 -7.824 7.662 14.750 1.00 0.00 H new ATOM 0 HE1 MET A 0 -6.334 7.005 18.438 1.00 0.00 H new ATOM 0 HE2 MET A 0 -6.853 5.728 17.312 1.00 0.00 H new ATOM 0 HE3 MET A 0 -5.930 7.125 16.709 1.00 0.00 H new ATOM 20 N SER A 1 -10.728 4.573 12.728 1.00 0.00 N ATOM 21 CA SER A 1 -10.865 3.091 12.800 1.00 0.00 C ATOM 22 C SER A 1 -9.486 2.466 13.013 1.00 0.00 C ATOM 23 O SER A 1 -8.473 3.130 12.917 1.00 0.00 O ATOM 24 CB SER A 1 -11.466 2.570 11.495 1.00 0.00 C ATOM 25 OG SER A 1 -10.473 2.595 10.478 1.00 0.00 O ATOM 0 H SER A 1 -10.955 4.988 11.824 1.00 0.00 H new ATOM 0 HA SER A 1 -11.519 2.824 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.837 1.554 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.318 3.184 11.203 1.00 0.00 H new ATOM 0 HG SER A 1 -10.855 2.260 9.640 1.00 0.00 H new ATOM 31 N GLU A 2 -9.434 1.194 13.304 1.00 0.00 N ATOM 32 CA GLU A 2 -8.115 0.539 13.524 1.00 0.00 C ATOM 33 C GLU A 2 -7.242 0.722 12.280 1.00 0.00 C ATOM 34 O GLU A 2 -6.039 0.869 12.367 1.00 0.00 O ATOM 35 CB GLU A 2 -8.325 -0.955 13.780 1.00 0.00 C ATOM 36 CG GLU A 2 -9.121 -1.148 15.072 1.00 0.00 C ATOM 37 CD GLU A 2 -10.586 -0.782 14.829 1.00 0.00 C ATOM 38 OE1 GLU A 2 -11.230 -1.478 14.061 1.00 0.00 O ATOM 39 OE2 GLU A 2 -11.039 0.188 15.414 1.00 0.00 O ATOM 0 H GLU A 2 -10.245 0.583 13.398 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.623 0.992 14.385 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.857 -1.406 12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.362 -1.460 13.855 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.044 -2.182 15.408 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.706 -0.524 15.864 1.00 0.00 H new ATOM 46 N LEU A 3 -7.842 0.700 11.122 1.00 0.00 N ATOM 47 CA LEU A 3 -7.056 0.857 9.865 1.00 0.00 C ATOM 48 C LEU A 3 -6.341 2.214 9.867 1.00 0.00 C ATOM 49 O LEU A 3 -5.147 2.297 9.658 1.00 0.00 O ATOM 50 CB LEU A 3 -8.013 0.760 8.660 1.00 0.00 C ATOM 51 CG LEU A 3 -7.284 0.177 7.444 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.229 0.168 6.241 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.055 1.031 7.121 1.00 0.00 C ATOM 0 H LEU A 3 -8.846 0.580 10.991 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.306 0.069 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.867 0.133 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.405 1.748 8.418 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.967 -0.842 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.712 -0.246 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.102 -0.443 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.547 1.187 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.539 0.614 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.369 2.051 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.381 1.037 7.977 1.00 0.00 H new ATOM 65 N GLU A 4 -7.061 3.279 10.096 1.00 0.00 N ATOM 66 CA GLU A 4 -6.416 4.622 10.102 1.00 0.00 C ATOM 67 C GLU A 4 -5.177 4.593 10.998 1.00 0.00 C ATOM 68 O GLU A 4 -4.122 5.074 10.642 1.00 0.00 O ATOM 69 CB GLU A 4 -7.402 5.664 10.635 1.00 0.00 C ATOM 70 CG GLU A 4 -8.712 5.577 9.852 1.00 0.00 C ATOM 71 CD GLU A 4 -9.582 6.793 10.176 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.164 7.897 9.865 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.651 6.601 10.732 1.00 0.00 O ATOM 0 H GLU A 4 -8.065 3.277 10.279 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.124 4.884 9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.588 5.494 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.977 6.663 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.507 5.538 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.241 4.659 10.109 1.00 0.00 H new ATOM 80 N LYS A 5 -5.307 4.018 12.161 1.00 0.00 N ATOM 81 CA LYS A 5 -4.153 3.936 13.099 1.00 0.00 C ATOM 82 C LYS A 5 -2.921 3.417 12.356 1.00 0.00 C ATOM 83 O LYS A 5 -1.824 3.916 12.511 1.00 0.00 O ATOM 84 CB LYS A 5 -4.501 2.952 14.223 1.00 0.00 C ATOM 85 CG LYS A 5 -3.448 3.030 15.347 1.00 0.00 C ATOM 86 CD LYS A 5 -3.812 4.142 16.340 1.00 0.00 C ATOM 87 CE LYS A 5 -2.812 4.138 17.498 1.00 0.00 C ATOM 88 NZ LYS A 5 -2.829 2.806 18.166 1.00 0.00 N ATOM 0 H LYS A 5 -6.171 3.598 12.504 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.944 4.925 13.508 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.488 3.181 14.624 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.546 1.938 13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.389 2.074 15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.464 3.222 14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.801 5.110 15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.823 3.990 16.718 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.811 4.358 17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.066 4.919 18.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.478 2.902 19.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.802 2.438 18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.219 2.147 17.642 1.00 0.00 H new ATOM 102 N ALA A 6 -3.106 2.401 11.560 1.00 0.00 N ATOM 103 CA ALA A 6 -1.973 1.802 10.799 1.00 0.00 C ATOM 104 C ALA A 6 -1.625 2.659 9.572 1.00 0.00 C ATOM 105 O ALA A 6 -0.490 2.686 9.139 1.00 0.00 O ATOM 106 CB ALA A 6 -2.374 0.384 10.359 1.00 0.00 C ATOM 0 H ALA A 6 -4.009 1.953 11.402 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.090 1.760 11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.555 -0.069 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.592 -0.222 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.260 0.436 9.726 1.00 0.00 H new ATOM 112 N MET A 7 -2.565 3.363 9.011 1.00 0.00 N ATOM 113 CA MET A 7 -2.230 4.205 7.825 1.00 0.00 C ATOM 114 C MET A 7 -1.187 5.252 8.248 1.00 0.00 C ATOM 115 O MET A 7 -0.191 5.465 7.583 1.00 0.00 O ATOM 116 CB MET A 7 -3.508 4.899 7.311 1.00 0.00 C ATOM 117 CG MET A 7 -3.422 5.127 5.795 1.00 0.00 C ATOM 118 SD MET A 7 -1.764 5.720 5.353 1.00 0.00 S ATOM 119 CE MET A 7 -1.371 4.472 4.099 1.00 0.00 C ATOM 0 H MET A 7 -3.538 3.395 9.314 1.00 0.00 H new ATOM 0 HA MET A 7 -1.823 3.588 7.024 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.380 4.288 7.544 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.642 5.853 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.639 4.199 5.266 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.173 5.854 5.485 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.376 4.662 3.696 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.396 3.481 4.552 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.104 4.522 3.294 1.00 0.00 H new ATOM 129 N VAL A 8 -1.418 5.897 9.358 1.00 0.00 N ATOM 130 CA VAL A 8 -0.463 6.929 9.856 1.00 0.00 C ATOM 131 C VAL A 8 0.832 6.264 10.338 1.00 0.00 C ATOM 132 O VAL A 8 1.909 6.805 10.187 1.00 0.00 O ATOM 133 CB VAL A 8 -1.114 7.683 11.017 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.311 8.949 11.319 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.543 8.075 10.627 1.00 0.00 C ATOM 0 H VAL A 8 -2.237 5.752 9.948 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.221 7.620 9.048 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.133 7.044 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.775 9.486 12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.709 8.677 11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.294 9.588 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.011 8.613 11.452 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.517 8.715 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.119 7.177 10.406 1.00 0.00 H new ATOM 145 N ALA A 9 0.741 5.093 10.913 1.00 0.00 N ATOM 146 CA ALA A 9 1.971 4.398 11.396 1.00 0.00 C ATOM 147 C ALA A 9 2.919 4.164 10.218 1.00 0.00 C ATOM 148 O ALA A 9 4.096 4.458 10.279 1.00 0.00 O ATOM 149 CB ALA A 9 1.574 3.043 11.985 1.00 0.00 C ATOM 0 H ALA A 9 -0.132 4.588 11.069 1.00 0.00 H new ATOM 0 HA ALA A 9 2.465 5.009 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.465 2.526 12.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.886 3.195 12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.088 2.441 11.217 1.00 0.00 H new ATOM 155 N LEU A 10 2.405 3.620 9.153 1.00 0.00 N ATOM 156 CA LEU A 10 3.249 3.336 7.960 1.00 0.00 C ATOM 157 C LEU A 10 4.039 4.586 7.581 1.00 0.00 C ATOM 158 O LEU A 10 5.247 4.570 7.458 1.00 0.00 O ATOM 159 CB LEU A 10 2.305 2.961 6.785 1.00 0.00 C ATOM 160 CG LEU A 10 2.234 1.436 6.602 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.577 0.791 7.824 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.404 1.116 5.356 1.00 0.00 C ATOM 0 H LEU A 10 1.424 3.357 9.056 1.00 0.00 H new ATOM 0 HA LEU A 10 3.944 2.524 8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.307 3.355 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.661 3.425 5.865 1.00 0.00 H new ATOM 0 HG LEU A 10 3.244 1.042 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.531 -0.289 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.163 1.018 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.568 1.184 7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.351 0.036 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.398 1.517 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.872 1.568 4.481 1.00 0.00 H new ATOM 174 N ILE A 11 3.341 5.663 7.372 1.00 0.00 N ATOM 175 CA ILE A 11 4.010 6.925 6.970 1.00 0.00 C ATOM 176 C ILE A 11 5.081 7.315 7.987 1.00 0.00 C ATOM 177 O ILE A 11 6.122 7.826 7.628 1.00 0.00 O ATOM 178 CB ILE A 11 2.970 8.042 6.884 1.00 0.00 C ATOM 179 CG1 ILE A 11 1.940 7.695 5.806 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.661 9.358 6.521 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.739 8.634 5.925 1.00 0.00 C ATOM 0 H ILE A 11 2.327 5.723 7.463 1.00 0.00 H new ATOM 0 HA ILE A 11 4.484 6.776 6.000 1.00 0.00 H new ATOM 0 HB ILE A 11 2.471 8.148 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.389 7.786 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.618 6.660 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.919 10.154 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.397 9.606 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.161 9.253 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.006 8.386 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.285 8.521 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.068 9.665 5.793 1.00 0.00 H new ATOM 193 N ASP A 12 4.835 7.122 9.256 1.00 0.00 N ATOM 194 CA ASP A 12 5.854 7.540 10.260 1.00 0.00 C ATOM 195 C ASP A 12 7.090 6.634 10.196 1.00 0.00 C ATOM 196 O ASP A 12 8.200 7.096 10.372 1.00 0.00 O ATOM 197 CB ASP A 12 5.256 7.518 11.668 1.00 0.00 C ATOM 198 CG ASP A 12 6.181 8.267 12.627 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.364 7.969 12.631 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.692 9.126 13.342 1.00 0.00 O ATOM 0 H ASP A 12 3.987 6.700 9.635 1.00 0.00 H new ATOM 0 HA ASP A 12 6.163 8.558 10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.269 7.980 11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.124 6.489 12.002 1.00 0.00 H new ATOM 205 N VAL A 13 6.937 5.355 9.952 1.00 0.00 N ATOM 206 CA VAL A 13 8.154 4.491 9.898 1.00 0.00 C ATOM 207 C VAL A 13 8.958 4.832 8.642 1.00 0.00 C ATOM 208 O VAL A 13 10.175 4.836 8.666 1.00 0.00 O ATOM 209 CB VAL A 13 7.774 3.009 9.913 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.029 2.156 9.710 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.132 2.663 11.259 1.00 0.00 C ATOM 0 H VAL A 13 6.047 4.883 9.792 1.00 0.00 H new ATOM 0 HA VAL A 13 8.766 4.681 10.780 1.00 0.00 H new ATOM 0 HB VAL A 13 7.066 2.807 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.757 1.100 9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.486 2.403 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.739 2.356 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.860 1.607 11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.840 2.865 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.238 3.270 11.402 1.00 0.00 H new ATOM 221 N PHE A 14 8.316 5.156 7.558 1.00 0.00 N ATOM 222 CA PHE A 14 9.097 5.530 6.348 1.00 0.00 C ATOM 223 C PHE A 14 9.917 6.775 6.690 1.00 0.00 C ATOM 224 O PHE A 14 11.004 6.980 6.187 1.00 0.00 O ATOM 225 CB PHE A 14 8.155 5.837 5.181 1.00 0.00 C ATOM 226 CG PHE A 14 8.971 6.088 3.932 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.561 7.341 3.718 1.00 0.00 C ATOM 228 CD2 PHE A 14 9.136 5.069 2.987 1.00 0.00 C ATOM 229 CE1 PHE A 14 10.316 7.572 2.562 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.891 5.301 1.830 1.00 0.00 C ATOM 231 CZ PHE A 14 10.481 6.554 1.618 1.00 0.00 C ATOM 0 H PHE A 14 7.301 5.179 7.456 1.00 0.00 H new ATOM 0 HA PHE A 14 9.748 4.707 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.472 5.003 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.544 6.710 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.433 8.129 4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.681 4.103 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.771 8.538 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.018 4.514 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.063 6.733 0.726 1.00 0.00 H new ATOM 241 N HIS A 15 9.393 7.607 7.553 1.00 0.00 N ATOM 242 CA HIS A 15 10.118 8.846 7.952 1.00 0.00 C ATOM 243 C HIS A 15 11.299 8.491 8.862 1.00 0.00 C ATOM 244 O HIS A 15 12.336 9.121 8.827 1.00 0.00 O ATOM 245 CB HIS A 15 9.168 9.771 8.720 1.00 0.00 C ATOM 246 CG HIS A 15 8.044 10.217 7.825 1.00 0.00 C ATOM 247 ND1 HIS A 15 7.228 11.290 8.147 1.00 0.00 N ATOM 248 CD2 HIS A 15 7.586 9.748 6.621 1.00 0.00 C ATOM 249 CE1 HIS A 15 6.330 11.428 7.155 1.00 0.00 C ATOM 250 NE2 HIS A 15 6.504 10.513 6.199 1.00 0.00 N ATOM 0 H HIS A 15 8.486 7.478 8.001 1.00 0.00 H new ATOM 0 HA HIS A 15 10.483 9.345 7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.766 9.251 9.590 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.714 10.639 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.003 8.910 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.562 12.187 7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 15 5.961 10.399 5.343 1.00 0.00 H new ATOM 258 N GLN A 16 11.131 7.501 9.700 1.00 0.00 N ATOM 259 CA GLN A 16 12.224 7.120 10.642 1.00 0.00 C ATOM 260 C GLN A 16 13.519 6.863 9.876 1.00 0.00 C ATOM 261 O GLN A 16 14.578 7.307 10.272 1.00 0.00 O ATOM 262 CB GLN A 16 11.824 5.859 11.411 1.00 0.00 C ATOM 263 CG GLN A 16 10.724 6.199 12.420 1.00 0.00 C ATOM 264 CD GLN A 16 11.336 6.920 13.623 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.391 6.548 14.097 1.00 0.00 O ATOM 266 NE2 GLN A 16 10.713 7.944 14.142 1.00 0.00 N ATOM 0 H GLN A 16 10.283 6.939 9.772 1.00 0.00 H new ATOM 0 HA GLN A 16 12.386 7.939 11.343 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.472 5.095 10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.690 5.446 11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.969 6.830 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.221 5.288 12.746 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.827 8.257 13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.112 8.431 14.945 1.00 0.00 H new ATOM 275 N TYR A 17 13.458 6.149 8.786 1.00 0.00 N ATOM 276 CA TYR A 17 14.703 5.874 8.017 1.00 0.00 C ATOM 277 C TYR A 17 15.147 7.151 7.303 1.00 0.00 C ATOM 278 O TYR A 17 16.313 7.490 7.285 1.00 0.00 O ATOM 279 CB TYR A 17 14.436 4.769 6.986 1.00 0.00 C ATOM 280 CG TYR A 17 14.462 3.417 7.668 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.508 3.111 8.645 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.440 2.473 7.325 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.530 1.862 9.279 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.462 1.225 7.959 1.00 0.00 C ATOM 285 CZ TYR A 17 14.507 0.920 8.936 1.00 0.00 C ATOM 286 OH TYR A 17 14.530 -0.311 9.561 1.00 0.00 O ATOM 0 H TYR A 17 12.605 5.747 8.397 1.00 0.00 H new ATOM 0 HA TYR A 17 15.489 5.546 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.468 4.928 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.188 4.804 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.755 3.838 8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.177 2.709 6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.793 1.626 10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.215 0.498 7.694 1.00 0.00 H new ATOM 0 HH TYR A 17 15.271 -0.845 9.205 1.00 0.00 H new ATOM 296 N SER A 18 14.225 7.861 6.706 1.00 0.00 N ATOM 297 CA SER A 18 14.588 9.116 5.982 1.00 0.00 C ATOM 298 C SER A 18 14.328 10.333 6.874 1.00 0.00 C ATOM 299 O SER A 18 13.554 11.203 6.527 1.00 0.00 O ATOM 300 CB SER A 18 13.735 9.231 4.719 1.00 0.00 C ATOM 301 OG SER A 18 13.815 8.015 3.986 1.00 0.00 O ATOM 0 H SER A 18 13.233 7.625 6.689 1.00 0.00 H new ATOM 0 HA SER A 18 15.645 9.083 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.699 9.442 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.083 10.062 4.106 1.00 0.00 H new ATOM 0 HG SER A 18 13.268 8.085 3.176 1.00 0.00 H new ATOM 307 N GLY A 19 14.987 10.421 8.007 1.00 0.00 N ATOM 308 CA GLY A 19 14.809 11.600 8.917 1.00 0.00 C ATOM 309 C GLY A 19 16.163 12.303 9.027 1.00 0.00 C ATOM 310 O GLY A 19 16.277 13.387 9.564 1.00 0.00 O ATOM 0 H GLY A 19 15.647 9.719 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.055 12.280 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.463 11.278 9.899 1.00 0.00 H new ATOM 314 N ARG A 20 17.184 11.697 8.486 1.00 0.00 N ATOM 315 CA ARG A 20 18.538 12.317 8.506 1.00 0.00 C ATOM 316 C ARG A 20 18.521 13.577 7.643 1.00 0.00 C ATOM 317 O ARG A 20 19.191 14.543 7.952 1.00 0.00 O ATOM 318 CB ARG A 20 19.563 11.327 7.947 1.00 0.00 C ATOM 319 CG ARG A 20 19.781 10.194 8.952 1.00 0.00 C ATOM 320 CD ARG A 20 20.720 9.147 8.347 1.00 0.00 C ATOM 321 NE ARG A 20 20.092 8.557 7.130 1.00 0.00 N ATOM 322 CZ ARG A 20 20.630 7.515 6.559 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.564 6.348 7.138 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.235 7.639 5.410 1.00 0.00 N ATOM 0 H ARG A 20 17.136 10.788 8.026 1.00 0.00 H new ATOM 0 HA ARG A 20 18.810 12.575 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.213 10.922 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.506 11.837 7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.206 10.589 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.827 9.735 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.675 9.605 8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.928 8.365 9.077 1.00 0.00 H new ATOM 0 HE ARG A 20 19.242 8.968 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.092 6.251 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.985 5.533 6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.288 8.551 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.655 6.823 4.964 1.00 0.00 H new ATOM 338 N GLU A 21 17.759 13.607 6.580 1.00 0.00 N ATOM 339 CA GLU A 21 17.719 14.848 5.746 1.00 0.00 C ATOM 340 C GLU A 21 16.333 15.022 5.126 1.00 0.00 C ATOM 341 O GLU A 21 15.783 16.105 5.122 1.00 0.00 O ATOM 342 CB GLU A 21 18.765 14.753 4.631 1.00 0.00 C ATOM 343 CG GLU A 21 20.152 14.542 5.241 1.00 0.00 C ATOM 344 CD GLU A 21 21.217 14.691 4.153 1.00 0.00 C ATOM 345 OE1 GLU A 21 20.855 15.043 3.042 1.00 0.00 O ATOM 346 OE2 GLU A 21 22.376 14.449 4.448 1.00 0.00 O ATOM 0 H GLU A 21 17.171 12.839 6.256 1.00 0.00 H new ATOM 0 HA GLU A 21 17.937 15.706 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.523 13.928 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.755 15.663 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.325 15.267 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.215 13.552 5.693 1.00 0.00 H new ATOM 353 N GLY A 22 15.760 13.976 4.597 1.00 0.00 N ATOM 354 CA GLY A 22 14.409 14.108 3.977 1.00 0.00 C ATOM 355 C GLY A 22 14.413 15.294 3.009 1.00 0.00 C ATOM 356 O GLY A 22 13.380 15.708 2.521 1.00 0.00 O ATOM 0 H GLY A 22 16.165 13.040 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.148 13.192 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.654 14.256 4.749 1.00 0.00 H new ATOM 360 N ASP A 23 15.563 15.843 2.721 1.00 0.00 N ATOM 361 CA ASP A 23 15.616 16.996 1.779 1.00 0.00 C ATOM 362 C ASP A 23 14.827 16.626 0.525 1.00 0.00 C ATOM 363 O ASP A 23 13.860 17.273 0.172 1.00 0.00 O ATOM 364 CB ASP A 23 17.070 17.290 1.406 1.00 0.00 C ATOM 365 CG ASP A 23 17.136 18.578 0.583 1.00 0.00 C ATOM 366 OD1 ASP A 23 16.930 19.635 1.156 1.00 0.00 O ATOM 367 OD2 ASP A 23 17.391 18.485 -0.607 1.00 0.00 O ATOM 0 H ASP A 23 16.463 15.544 3.096 1.00 0.00 H new ATOM 0 HA ASP A 23 15.187 17.883 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.674 17.391 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.485 16.459 0.835 1.00 0.00 H new ATOM 372 N LYS A 24 15.212 15.568 -0.137 1.00 0.00 N ATOM 373 CA LYS A 24 14.464 15.133 -1.350 1.00 0.00 C ATOM 374 C LYS A 24 13.364 14.165 -0.909 1.00 0.00 C ATOM 375 O LYS A 24 13.347 13.703 0.215 1.00 0.00 O ATOM 376 CB LYS A 24 15.414 14.420 -2.315 1.00 0.00 C ATOM 377 CG LYS A 24 16.429 15.419 -2.871 1.00 0.00 C ATOM 378 CD LYS A 24 17.460 14.674 -3.722 1.00 0.00 C ATOM 379 CE LYS A 24 18.467 15.670 -4.298 1.00 0.00 C ATOM 380 NZ LYS A 24 17.789 16.536 -5.303 1.00 0.00 N ATOM 0 H LYS A 24 16.013 14.986 0.111 1.00 0.00 H new ATOM 0 HA LYS A 24 14.031 15.997 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.931 13.610 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.849 13.969 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.922 16.174 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.925 15.943 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.976 13.929 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.961 14.138 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.887 16.282 -3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.297 15.137 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.503 16.993 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.158 15.956 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.232 17.265 -4.814 1.00 0.00 H new ATOM 394 N HIS A 25 12.467 13.833 -1.799 1.00 0.00 N ATOM 395 CA HIS A 25 11.373 12.865 -1.475 1.00 0.00 C ATOM 396 C HIS A 25 11.540 11.663 -2.401 1.00 0.00 C ATOM 397 O HIS A 25 10.601 11.207 -3.023 1.00 0.00 O ATOM 398 CB HIS A 25 10.016 13.525 -1.728 1.00 0.00 C ATOM 399 CG HIS A 25 9.900 13.899 -3.180 1.00 0.00 C ATOM 400 ND1 HIS A 25 10.392 15.096 -3.676 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.349 13.246 -4.255 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.130 15.127 -4.995 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.495 14.024 -5.400 1.00 0.00 N ATOM 0 H HIS A 25 12.444 14.196 -2.752 1.00 0.00 H new ATOM 0 HA HIS A 25 11.422 12.558 -0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.212 12.843 -1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.910 14.412 -1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.875 12.276 -4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.400 15.944 -5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.184 13.800 -6.345 1.00 0.00 H new ATOM 411 N LYS A 26 12.744 11.156 -2.499 1.00 0.00 N ATOM 412 CA LYS A 26 13.015 9.986 -3.387 1.00 0.00 C ATOM 413 C LYS A 26 13.835 8.932 -2.634 1.00 0.00 C ATOM 414 O LYS A 26 14.667 9.255 -1.809 1.00 0.00 O ATOM 415 CB LYS A 26 13.807 10.462 -4.605 1.00 0.00 C ATOM 416 CG LYS A 26 13.064 11.620 -5.276 1.00 0.00 C ATOM 417 CD LYS A 26 13.729 11.954 -6.613 1.00 0.00 C ATOM 418 CE LYS A 26 12.840 12.920 -7.397 1.00 0.00 C ATOM 419 NZ LYS A 26 12.620 14.155 -6.593 1.00 0.00 N ATOM 0 H LYS A 26 13.559 11.508 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 26 12.069 9.544 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.804 10.783 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.937 9.642 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.020 11.351 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.072 12.495 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.708 12.401 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.890 11.043 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.308 13.171 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.885 12.448 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.898 14.745 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.298 13.895 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.510 14.688 -6.525 1.00 0.00 H new ATOM 433 N LEU A 27 13.611 7.675 -2.924 1.00 0.00 N ATOM 434 CA LEU A 27 14.373 6.574 -2.249 1.00 0.00 C ATOM 435 C LEU A 27 15.052 5.731 -3.328 1.00 0.00 C ATOM 436 O LEU A 27 14.502 5.521 -4.391 1.00 0.00 O ATOM 437 CB LEU A 27 13.400 5.701 -1.450 1.00 0.00 C ATOM 438 CG LEU A 27 14.176 4.754 -0.519 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.904 5.550 0.587 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.187 3.768 0.116 1.00 0.00 C ATOM 0 H LEU A 27 12.924 7.359 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 27 15.120 6.988 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.732 6.332 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.776 5.122 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 27 14.925 4.215 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.447 4.861 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.606 6.248 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.174 6.104 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.724 3.090 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.440 4.319 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.693 3.193 -0.667 1.00 0.00 H new ATOM 452 N LYS A 28 16.247 5.250 -3.082 1.00 0.00 N ATOM 453 CA LYS A 28 16.946 4.429 -4.120 1.00 0.00 C ATOM 454 C LYS A 28 16.633 2.945 -3.906 1.00 0.00 C ATOM 455 O LYS A 28 16.320 2.518 -2.813 1.00 0.00 O ATOM 456 CB LYS A 28 18.456 4.657 -4.018 1.00 0.00 C ATOM 457 CG LYS A 28 18.767 6.135 -4.272 1.00 0.00 C ATOM 458 CD LYS A 28 20.192 6.445 -3.808 1.00 0.00 C ATOM 459 CE LYS A 28 20.560 7.875 -4.211 1.00 0.00 C ATOM 460 NZ LYS A 28 20.558 7.989 -5.698 1.00 0.00 N ATOM 0 H LYS A 28 16.765 5.389 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 28 16.599 4.727 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.813 4.364 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.979 4.034 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.661 6.363 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.055 6.764 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.267 6.330 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.893 5.739 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.849 8.580 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.543 8.134 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.459 8.401 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.441 7.045 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.773 8.601 -5.998 1.00 0.00 H new ATOM 474 N LYS A 29 16.719 2.156 -4.942 1.00 0.00 N ATOM 475 CA LYS A 29 16.431 0.699 -4.807 1.00 0.00 C ATOM 476 C LYS A 29 17.374 0.072 -3.769 1.00 0.00 C ATOM 477 O LYS A 29 16.986 -0.779 -2.994 1.00 0.00 O ATOM 478 CB LYS A 29 16.653 0.020 -6.171 1.00 0.00 C ATOM 479 CG LYS A 29 17.905 0.606 -6.866 1.00 0.00 C ATOM 480 CD LYS A 29 18.583 -0.465 -7.732 1.00 0.00 C ATOM 481 CE LYS A 29 19.786 0.147 -8.455 1.00 0.00 C ATOM 482 NZ LYS A 29 19.314 1.180 -9.420 1.00 0.00 N ATOM 0 H LYS A 29 16.978 2.459 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 29 15.400 0.560 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.774 -1.055 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.777 0.164 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.621 1.458 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.606 0.975 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.906 -1.300 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.874 -0.864 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.469 0.594 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.342 -0.630 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.056 1.897 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.100 0.730 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.456 1.635 -9.049 1.00 0.00 H new ATOM 496 N SER A 30 18.613 0.473 -3.772 1.00 0.00 N ATOM 497 CA SER A 30 19.601 -0.104 -2.817 1.00 0.00 C ATOM 498 C SER A 30 19.152 0.090 -1.365 1.00 0.00 C ATOM 499 O SER A 30 19.310 -0.788 -0.532 1.00 0.00 O ATOM 500 CB SER A 30 20.948 0.592 -3.015 1.00 0.00 C ATOM 501 OG SER A 30 21.942 -0.088 -2.260 1.00 0.00 O ATOM 0 H SER A 30 18.988 1.183 -4.401 1.00 0.00 H new ATOM 0 HA SER A 30 19.684 -1.173 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.217 0.596 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.883 1.633 -2.698 1.00 0.00 H new ATOM 0 HG SER A 30 22.808 0.354 -2.385 1.00 0.00 H new ATOM 507 N GLU A 31 18.595 1.230 -1.041 1.00 0.00 N ATOM 508 CA GLU A 31 18.163 1.450 0.373 1.00 0.00 C ATOM 509 C GLU A 31 16.808 0.782 0.589 1.00 0.00 C ATOM 510 O GLU A 31 16.554 0.179 1.613 1.00 0.00 O ATOM 511 CB GLU A 31 18.073 2.947 0.678 1.00 0.00 C ATOM 512 CG GLU A 31 19.481 3.522 0.843 1.00 0.00 C ATOM 513 CD GLU A 31 20.085 3.028 2.158 1.00 0.00 C ATOM 514 OE1 GLU A 31 19.433 3.174 3.179 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.191 2.513 2.123 1.00 0.00 O ATOM 0 H GLU A 31 18.423 2.005 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 31 18.897 1.011 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.551 3.462 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.494 3.109 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.109 3.218 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.443 4.611 0.835 1.00 0.00 H new ATOM 522 N LEU A 32 15.942 0.863 -0.384 1.00 0.00 N ATOM 523 CA LEU A 32 14.613 0.210 -0.248 1.00 0.00 C ATOM 524 C LEU A 32 14.842 -1.272 0.055 1.00 0.00 C ATOM 525 O LEU A 32 14.223 -1.833 0.932 1.00 0.00 O ATOM 526 CB LEU A 32 13.822 0.382 -1.552 1.00 0.00 C ATOM 527 CG LEU A 32 12.316 0.220 -1.296 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.553 0.548 -2.586 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.998 -1.224 -0.855 1.00 0.00 C ATOM 0 H LEU A 32 16.099 1.353 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 32 14.039 0.664 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.020 1.366 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.153 -0.354 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 32 12.011 0.900 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.483 0.436 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.767 1.574 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.867 -0.133 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.927 -1.323 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.302 -1.919 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.540 -1.452 0.063 1.00 0.00 H new ATOM 541 N LYS A 33 15.719 -1.925 -0.655 1.00 0.00 N ATOM 542 CA LYS A 33 15.942 -3.368 -0.378 1.00 0.00 C ATOM 543 C LYS A 33 16.226 -3.553 1.112 1.00 0.00 C ATOM 544 O LYS A 33 15.574 -4.321 1.790 1.00 0.00 O ATOM 545 CB LYS A 33 17.135 -3.868 -1.195 1.00 0.00 C ATOM 546 CG LYS A 33 17.197 -5.395 -1.129 1.00 0.00 C ATOM 547 CD LYS A 33 18.382 -5.894 -1.959 1.00 0.00 C ATOM 548 CE LYS A 33 18.387 -7.424 -1.978 1.00 0.00 C ATOM 549 NZ LYS A 33 19.709 -7.910 -2.463 1.00 0.00 N ATOM 0 H LYS A 33 16.284 -1.527 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 33 15.055 -3.937 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.042 -3.542 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.059 -3.439 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.301 -5.721 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.269 -5.824 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.315 -5.508 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.316 -5.522 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.189 -7.811 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.592 -7.793 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.713 -8.950 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.880 -7.551 -3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.459 -7.569 -1.828 1.00 0.00 H new ATOM 563 N GLU A 34 17.212 -2.866 1.622 1.00 0.00 N ATOM 564 CA GLU A 34 17.549 -3.025 3.069 1.00 0.00 C ATOM 565 C GLU A 34 16.268 -2.931 3.913 1.00 0.00 C ATOM 566 O GLU A 34 16.133 -3.609 4.913 1.00 0.00 O ATOM 567 CB GLU A 34 18.530 -1.931 3.496 1.00 0.00 C ATOM 568 CG GLU A 34 19.909 -2.220 2.899 1.00 0.00 C ATOM 569 CD GLU A 34 20.837 -1.033 3.162 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.174 -0.814 4.314 1.00 0.00 O ATOM 571 OE2 GLU A 34 21.194 -0.363 2.207 1.00 0.00 O ATOM 0 H GLU A 34 17.795 -2.207 1.106 1.00 0.00 H new ATOM 0 HA GLU A 34 18.011 -4.000 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.174 -0.957 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.594 -1.890 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.325 -3.126 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.823 -2.398 1.827 1.00 0.00 H new ATOM 578 N LEU A 35 15.326 -2.112 3.528 1.00 0.00 N ATOM 579 CA LEU A 35 14.066 -2.009 4.330 1.00 0.00 C ATOM 580 C LEU A 35 13.277 -3.322 4.212 1.00 0.00 C ATOM 581 O LEU A 35 12.751 -3.819 5.188 1.00 0.00 O ATOM 582 CB LEU A 35 13.213 -0.823 3.830 1.00 0.00 C ATOM 583 CG LEU A 35 13.612 0.474 4.569 1.00 0.00 C ATOM 584 CD1 LEU A 35 13.272 1.691 3.703 1.00 0.00 C ATOM 585 CD2 LEU A 35 12.846 0.580 5.896 1.00 0.00 C ATOM 0 H LEU A 35 15.370 -1.515 2.702 1.00 0.00 H new ATOM 0 HA LEU A 35 14.317 -1.835 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.350 -0.695 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.156 -1.032 3.993 1.00 0.00 H new ATOM 0 HG LEU A 35 14.684 0.448 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.555 2.603 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.817 1.631 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.201 1.706 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.134 1.497 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.774 0.596 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.086 -0.278 6.524 1.00 0.00 H new ATOM 597 N ILE A 36 13.200 -3.904 3.046 1.00 0.00 N ATOM 598 CA ILE A 36 12.461 -5.192 2.904 1.00 0.00 C ATOM 599 C ILE A 36 13.040 -6.222 3.877 1.00 0.00 C ATOM 600 O ILE A 36 12.339 -7.066 4.399 1.00 0.00 O ATOM 601 CB ILE A 36 12.636 -5.708 1.472 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.282 -4.591 0.486 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.710 -6.906 1.240 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.288 -5.139 -0.944 1.00 0.00 C ATOM 0 H ILE A 36 13.616 -3.544 2.187 1.00 0.00 H new ATOM 0 HA ILE A 36 11.405 -5.036 3.122 1.00 0.00 H new ATOM 0 HB ILE A 36 13.670 -6.017 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.300 -4.181 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.998 -3.774 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.836 -7.271 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.959 -7.700 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.675 -6.600 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.035 -4.340 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.279 -5.527 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.554 -5.940 -1.030 1.00 0.00 H new ATOM 616 N ASN A 37 14.325 -6.179 4.090 1.00 0.00 N ATOM 617 CA ASN A 37 14.978 -7.173 4.989 1.00 0.00 C ATOM 618 C ASN A 37 14.504 -7.018 6.440 1.00 0.00 C ATOM 619 O ASN A 37 14.220 -7.991 7.110 1.00 0.00 O ATOM 620 CB ASN A 37 16.493 -6.969 4.935 1.00 0.00 C ATOM 621 CG ASN A 37 16.967 -7.037 3.481 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.912 -6.373 3.107 1.00 0.00 O ATOM 623 ND2 ASN A 37 16.346 -7.818 2.640 1.00 0.00 N ATOM 0 H ASN A 37 14.957 -5.493 3.677 1.00 0.00 H new ATOM 0 HA ASN A 37 14.708 -8.172 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.756 -6.005 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.995 -7.734 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.655 -7.870 1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.552 -8.376 2.953 1.00 0.00 H new ATOM 630 N ASN A 38 14.450 -5.813 6.947 1.00 0.00 N ATOM 631 CA ASN A 38 14.032 -5.615 8.372 1.00 0.00 C ATOM 632 C ASN A 38 12.533 -5.310 8.477 1.00 0.00 C ATOM 633 O ASN A 38 11.958 -5.400 9.544 1.00 0.00 O ATOM 634 CB ASN A 38 14.819 -4.444 8.961 1.00 0.00 C ATOM 635 CG ASN A 38 16.313 -4.767 8.930 1.00 0.00 C ATOM 636 OD1 ASN A 38 16.938 -4.909 9.963 1.00 0.00 O ATOM 637 ND2 ASN A 38 16.918 -4.889 7.781 1.00 0.00 N ATOM 0 H ASN A 38 14.676 -4.958 6.439 1.00 0.00 H new ATOM 0 HA ASN A 38 14.235 -6.534 8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.621 -3.536 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.498 -4.255 9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.915 -5.103 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.394 -4.770 6.914 1.00 0.00 H new ATOM 644 N GLU A 39 11.893 -4.930 7.401 1.00 0.00 N ATOM 645 CA GLU A 39 10.432 -4.599 7.478 1.00 0.00 C ATOM 646 C GLU A 39 9.579 -5.797 7.052 1.00 0.00 C ATOM 647 O GLU A 39 8.460 -5.950 7.500 1.00 0.00 O ATOM 648 CB GLU A 39 10.139 -3.421 6.546 1.00 0.00 C ATOM 649 CG GLU A 39 10.971 -2.211 6.975 1.00 0.00 C ATOM 650 CD GLU A 39 10.392 -1.624 8.264 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.334 -2.073 8.674 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.018 -0.736 8.819 1.00 0.00 O ATOM 0 H GLU A 39 12.313 -4.834 6.476 1.00 0.00 H new ATOM 0 HA GLU A 39 10.185 -4.343 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.374 -3.691 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.078 -3.175 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.008 -2.507 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.970 -1.458 6.187 1.00 0.00 H new ATOM 659 N LEU A 40 10.094 -6.650 6.200 1.00 0.00 N ATOM 660 CA LEU A 40 9.313 -7.851 5.744 1.00 0.00 C ATOM 661 C LEU A 40 10.067 -9.125 6.157 1.00 0.00 C ATOM 662 O LEU A 40 10.030 -10.136 5.483 1.00 0.00 O ATOM 663 CB LEU A 40 9.151 -7.792 4.206 1.00 0.00 C ATOM 664 CG LEU A 40 7.811 -7.134 3.829 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.652 -5.782 4.549 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.772 -6.922 2.312 1.00 0.00 C ATOM 0 H LEU A 40 11.027 -6.568 5.796 1.00 0.00 H new ATOM 0 HA LEU A 40 8.325 -7.860 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.975 -7.228 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.198 -8.799 3.791 1.00 0.00 H new ATOM 0 HG LEU A 40 6.992 -7.784 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.699 -5.331 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.678 -5.939 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.466 -5.118 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.827 -6.456 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.597 -6.275 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.865 -7.884 1.808 1.00 0.00 H new ATOM 678 N SER A 41 10.749 -9.077 7.270 1.00 0.00 N ATOM 679 CA SER A 41 11.507 -10.270 7.745 1.00 0.00 C ATOM 680 C SER A 41 10.537 -11.351 8.230 1.00 0.00 C ATOM 681 O SER A 41 10.737 -12.524 7.989 1.00 0.00 O ATOM 682 CB SER A 41 12.416 -9.859 8.905 1.00 0.00 C ATOM 683 OG SER A 41 11.683 -9.934 10.121 1.00 0.00 O ATOM 0 H SER A 41 10.814 -8.257 7.874 1.00 0.00 H new ATOM 0 HA SER A 41 12.103 -10.665 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.287 -10.513 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.786 -8.845 8.751 1.00 0.00 H new ATOM 0 HG SER A 41 12.261 -9.673 10.868 1.00 0.00 H new ATOM 689 N HIS A 42 9.493 -10.974 8.918 1.00 0.00 N ATOM 690 CA HIS A 42 8.529 -11.995 9.419 1.00 0.00 C ATOM 691 C HIS A 42 7.768 -12.617 8.245 1.00 0.00 C ATOM 692 O HIS A 42 7.686 -13.822 8.117 1.00 0.00 O ATOM 693 CB HIS A 42 7.535 -11.330 10.374 1.00 0.00 C ATOM 694 CG HIS A 42 8.241 -10.946 11.646 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.617 -10.792 11.710 1.00 0.00 N ATOM 696 CD2 HIS A 42 7.774 -10.677 12.909 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.928 -10.444 12.973 1.00 0.00 C ATOM 698 NE2 HIS A 42 8.841 -10.361 13.745 1.00 0.00 N ATOM 0 H HIS A 42 9.267 -10.008 9.154 1.00 0.00 H new ATOM 0 HA HIS A 42 9.077 -12.777 9.944 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.100 -10.447 9.906 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.713 -12.012 10.593 1.00 0.00 H new ATOM 0 HD1 HIS A 42 10.274 -10.919 10.940 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.737 -10.706 13.208 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.933 -10.255 13.320 1.00 0.00 H new ATOM 706 N PHE A 43 7.210 -11.807 7.388 1.00 0.00 N ATOM 707 CA PHE A 43 6.454 -12.358 6.226 1.00 0.00 C ATOM 708 C PHE A 43 7.367 -13.283 5.416 1.00 0.00 C ATOM 709 O PHE A 43 6.919 -14.222 4.788 1.00 0.00 O ATOM 710 CB PHE A 43 5.970 -11.208 5.341 1.00 0.00 C ATOM 711 CG PHE A 43 4.820 -10.498 6.018 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.524 -11.022 5.934 1.00 0.00 C ATOM 713 CD2 PHE A 43 5.050 -9.315 6.732 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.460 -10.364 6.561 1.00 0.00 C ATOM 715 CE2 PHE A 43 3.985 -8.657 7.359 1.00 0.00 C ATOM 716 CZ PHE A 43 2.690 -9.181 7.273 1.00 0.00 C ATOM 0 H PHE A 43 7.244 -10.789 7.441 1.00 0.00 H new ATOM 0 HA PHE A 43 5.594 -12.923 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.786 -10.508 5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.654 -11.590 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.346 -11.935 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.049 -8.910 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.461 -10.769 6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.163 -7.745 7.909 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.868 -8.673 7.756 1.00 0.00 H new ATOM 726 N LEU A 44 8.643 -13.012 5.417 1.00 0.00 N ATOM 727 CA LEU A 44 9.596 -13.856 4.640 1.00 0.00 C ATOM 728 C LEU A 44 9.349 -15.341 4.949 1.00 0.00 C ATOM 729 O LEU A 44 9.703 -16.211 4.180 1.00 0.00 O ATOM 730 CB LEU A 44 11.040 -13.458 5.024 1.00 0.00 C ATOM 731 CG LEU A 44 11.986 -13.528 3.807 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.950 -14.935 3.198 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.585 -12.478 2.745 1.00 0.00 C ATOM 0 H LEU A 44 9.070 -12.238 5.926 1.00 0.00 H new ATOM 0 HA LEU A 44 9.448 -13.699 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.044 -12.447 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.405 -14.120 5.809 1.00 0.00 H new ATOM 0 HG LEU A 44 13.000 -13.309 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.620 -14.977 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.270 -15.663 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.934 -15.167 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.264 -12.543 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.565 -12.670 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.643 -11.480 3.180 1.00 0.00 H new ATOM 745 N GLU A 45 8.752 -15.638 6.072 1.00 0.00 N ATOM 746 CA GLU A 45 8.496 -17.065 6.427 1.00 0.00 C ATOM 747 C GLU A 45 7.244 -17.569 5.705 1.00 0.00 C ATOM 748 O GLU A 45 7.202 -18.682 5.220 1.00 0.00 O ATOM 749 CB GLU A 45 8.293 -17.181 7.941 1.00 0.00 C ATOM 750 CG GLU A 45 8.297 -18.656 8.363 1.00 0.00 C ATOM 751 CD GLU A 45 6.972 -19.310 7.967 1.00 0.00 C ATOM 752 OE1 GLU A 45 5.938 -18.795 8.361 1.00 0.00 O ATOM 753 OE2 GLU A 45 7.013 -20.316 7.278 1.00 0.00 O ATOM 0 H GLU A 45 8.431 -14.955 6.759 1.00 0.00 H new ATOM 0 HA GLU A 45 9.350 -17.669 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.084 -16.643 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.349 -16.716 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.127 -19.178 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.445 -18.736 9.440 1.00 0.00 H new ATOM 760 N GLU A 46 6.220 -16.765 5.642 1.00 0.00 N ATOM 761 CA GLU A 46 4.965 -17.205 4.964 1.00 0.00 C ATOM 762 C GLU A 46 5.098 -17.025 3.448 1.00 0.00 C ATOM 763 O GLU A 46 4.315 -16.333 2.830 1.00 0.00 O ATOM 764 CB GLU A 46 3.791 -16.367 5.476 1.00 0.00 C ATOM 765 CG GLU A 46 3.423 -16.813 6.893 1.00 0.00 C ATOM 766 CD GLU A 46 2.251 -15.974 7.405 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.996 -14.932 6.823 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.630 -16.386 8.370 1.00 0.00 O ATOM 0 H GLU A 46 6.196 -15.822 6.030 1.00 0.00 H new ATOM 0 HA GLU A 46 4.789 -18.258 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.057 -15.310 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.933 -16.481 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.156 -17.870 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.281 -16.700 7.555 1.00 0.00 H new ATOM 775 N ILE A 47 6.079 -17.655 2.847 1.00 0.00 N ATOM 776 CA ILE A 47 6.277 -17.543 1.364 1.00 0.00 C ATOM 777 C ILE A 47 6.158 -18.935 0.738 1.00 0.00 C ATOM 778 O ILE A 47 6.336 -19.938 1.399 1.00 0.00 O ATOM 779 CB ILE A 47 7.677 -16.986 1.077 1.00 0.00 C ATOM 780 CG1 ILE A 47 7.855 -15.621 1.764 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.874 -16.835 -0.434 1.00 0.00 C ATOM 782 CD1 ILE A 47 6.741 -14.649 1.347 1.00 0.00 C ATOM 0 H ILE A 47 6.758 -18.248 3.324 1.00 0.00 H new ATOM 0 HA ILE A 47 5.523 -16.877 0.943 1.00 0.00 H new ATOM 0 HB ILE A 47 8.421 -17.679 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.845 -15.750 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.826 -15.201 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.870 -16.439 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.768 -17.808 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.125 -16.150 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.888 -13.691 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.770 -14.504 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.773 -15.061 1.632 1.00 0.00 H new ATOM 794 N LYS A 48 5.862 -19.007 -0.535 1.00 0.00 N ATOM 795 CA LYS A 48 5.735 -20.335 -1.209 1.00 0.00 C ATOM 796 C LYS A 48 6.236 -20.212 -2.650 1.00 0.00 C ATOM 797 O LYS A 48 7.070 -20.975 -3.095 1.00 0.00 O ATOM 798 CB LYS A 48 4.268 -20.770 -1.207 1.00 0.00 C ATOM 799 CG LYS A 48 4.161 -22.208 -1.722 1.00 0.00 C ATOM 800 CD LYS A 48 2.684 -22.611 -1.845 1.00 0.00 C ATOM 801 CE LYS A 48 2.054 -22.789 -0.454 1.00 0.00 C ATOM 802 NZ LYS A 48 1.624 -21.464 0.073 1.00 0.00 N ATOM 0 H LYS A 48 5.702 -18.200 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 48 6.329 -21.079 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.859 -20.702 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.679 -20.102 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.652 -22.294 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.677 -22.886 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.139 -21.849 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.601 -23.540 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.199 -23.462 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.773 -23.246 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.207 -21.212 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.740 -20.742 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.625 -21.511 0.357 1.00 0.00 H new ATOM 816 N GLU A 49 5.741 -19.248 -3.381 1.00 0.00 N ATOM 817 CA GLU A 49 6.198 -19.066 -4.789 1.00 0.00 C ATOM 818 C GLU A 49 7.540 -18.321 -4.778 1.00 0.00 C ATOM 819 O GLU A 49 7.643 -17.193 -5.218 1.00 0.00 O ATOM 820 CB GLU A 49 5.136 -18.265 -5.566 1.00 0.00 C ATOM 821 CG GLU A 49 5.210 -18.594 -7.063 1.00 0.00 C ATOM 822 CD GLU A 49 4.749 -20.035 -7.299 1.00 0.00 C ATOM 823 OE1 GLU A 49 4.331 -20.666 -6.343 1.00 0.00 O ATOM 824 OE2 GLU A 49 4.823 -20.481 -8.432 1.00 0.00 O ATOM 0 H GLU A 49 5.040 -18.579 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 49 6.331 -20.031 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.142 -18.499 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.292 -17.197 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.583 -17.904 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.231 -18.465 -7.423 1.00 0.00 H new ATOM 831 N GLN A 50 8.563 -18.942 -4.254 1.00 0.00 N ATOM 832 CA GLN A 50 9.899 -18.279 -4.179 1.00 0.00 C ATOM 833 C GLN A 50 10.238 -17.584 -5.501 1.00 0.00 C ATOM 834 O GLN A 50 11.044 -16.676 -5.541 1.00 0.00 O ATOM 835 CB GLN A 50 10.965 -19.337 -3.884 1.00 0.00 C ATOM 836 CG GLN A 50 10.686 -19.978 -2.523 1.00 0.00 C ATOM 837 CD GLN A 50 11.768 -21.014 -2.215 1.00 0.00 C ATOM 838 OE1 GLN A 50 12.922 -20.674 -2.043 1.00 0.00 O ATOM 839 NE2 GLN A 50 11.442 -22.276 -2.135 1.00 0.00 N ATOM 0 H GLN A 50 8.531 -19.887 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 50 9.874 -17.530 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.962 -20.099 -4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.955 -18.881 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.668 -19.214 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.704 -20.452 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.474 -22.563 -2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.156 -22.975 -1.928 1.00 0.00 H new ATOM 848 N GLU A 51 9.643 -17.998 -6.584 1.00 0.00 N ATOM 849 CA GLU A 51 9.955 -17.350 -7.892 1.00 0.00 C ATOM 850 C GLU A 51 9.316 -15.959 -7.959 1.00 0.00 C ATOM 851 O GLU A 51 9.772 -15.102 -8.689 1.00 0.00 O ATOM 852 CB GLU A 51 9.463 -18.222 -9.049 1.00 0.00 C ATOM 853 CG GLU A 51 9.967 -19.656 -8.861 1.00 0.00 C ATOM 854 CD GLU A 51 11.491 -19.653 -8.715 1.00 0.00 C ATOM 855 OE1 GLU A 51 12.141 -18.997 -9.511 1.00 0.00 O ATOM 856 OE2 GLU A 51 11.980 -20.308 -7.809 1.00 0.00 O ATOM 0 H GLU A 51 8.958 -18.752 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 51 11.036 -17.240 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.374 -18.211 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.821 -17.821 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.508 -20.100 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.675 -20.269 -9.714 1.00 0.00 H new ATOM 863 N VAL A 52 8.300 -15.700 -7.184 1.00 0.00 N ATOM 864 CA VAL A 52 7.698 -14.335 -7.201 1.00 0.00 C ATOM 865 C VAL A 52 8.636 -13.401 -6.436 1.00 0.00 C ATOM 866 O VAL A 52 9.016 -12.357 -6.927 1.00 0.00 O ATOM 867 CB VAL A 52 6.325 -14.364 -6.517 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.840 -12.933 -6.253 1.00 0.00 C ATOM 869 CG2 VAL A 52 5.318 -15.078 -7.422 1.00 0.00 C ATOM 0 H VAL A 52 7.863 -16.365 -6.546 1.00 0.00 H new ATOM 0 HA VAL A 52 7.567 -13.989 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 52 6.412 -14.896 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.865 -12.963 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.552 -12.421 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.758 -12.396 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.343 -15.099 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.240 -14.546 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.654 -16.099 -7.605 1.00 0.00 H new ATOM 879 N VAL A 53 9.023 -13.762 -5.246 1.00 0.00 N ATOM 880 CA VAL A 53 9.943 -12.882 -4.479 1.00 0.00 C ATOM 881 C VAL A 53 11.261 -12.763 -5.245 1.00 0.00 C ATOM 882 O VAL A 53 11.925 -11.746 -5.212 1.00 0.00 O ATOM 883 CB VAL A 53 10.203 -13.492 -3.100 1.00 0.00 C ATOM 884 CG1 VAL A 53 11.049 -12.528 -2.266 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.868 -13.738 -2.394 1.00 0.00 C ATOM 0 H VAL A 53 8.744 -14.622 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 53 9.497 -11.895 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 53 10.735 -14.436 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.234 -12.963 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.000 -12.350 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.517 -11.584 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.051 -14.173 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.337 -12.793 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.264 -14.424 -2.987 1.00 0.00 H new ATOM 895 N ASP A 54 11.643 -13.802 -5.934 1.00 0.00 N ATOM 896 CA ASP A 54 12.916 -13.763 -6.705 1.00 0.00 C ATOM 897 C ASP A 54 12.851 -12.655 -7.760 1.00 0.00 C ATOM 898 O ASP A 54 13.773 -11.878 -7.914 1.00 0.00 O ATOM 899 CB ASP A 54 13.134 -15.111 -7.394 1.00 0.00 C ATOM 900 CG ASP A 54 14.569 -15.191 -7.918 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.818 -14.663 -8.989 1.00 0.00 O ATOM 902 OD2 ASP A 54 15.395 -15.778 -7.239 1.00 0.00 O ATOM 0 H ASP A 54 11.126 -14.679 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 54 13.743 -13.561 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.946 -15.924 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.428 -15.229 -8.216 1.00 0.00 H new ATOM 907 N LYS A 55 11.775 -12.585 -8.503 1.00 0.00 N ATOM 908 CA LYS A 55 11.670 -11.535 -9.560 1.00 0.00 C ATOM 909 C LYS A 55 11.622 -10.151 -8.914 1.00 0.00 C ATOM 910 O LYS A 55 12.055 -9.179 -9.499 1.00 0.00 O ATOM 911 CB LYS A 55 10.416 -11.762 -10.404 1.00 0.00 C ATOM 912 CG LYS A 55 10.626 -12.965 -11.330 1.00 0.00 C ATOM 913 CD LYS A 55 9.272 -13.456 -11.851 1.00 0.00 C ATOM 914 CE LYS A 55 8.506 -12.288 -12.477 1.00 0.00 C ATOM 915 NZ LYS A 55 9.426 -11.496 -13.342 1.00 0.00 N ATOM 0 H LYS A 55 10.970 -13.206 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 55 12.545 -11.596 -10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.557 -11.935 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.197 -10.872 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.269 -12.686 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.132 -13.767 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.420 -14.244 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.692 -13.888 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.669 -12.662 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.088 -11.653 -11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.879 -11.025 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.913 -10.780 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.129 -12.130 -13.773 1.00 0.00 H new ATOM 929 N VAL A 56 11.146 -10.043 -7.706 1.00 0.00 N ATOM 930 CA VAL A 56 11.134 -8.714 -7.040 1.00 0.00 C ATOM 931 C VAL A 56 12.582 -8.262 -6.853 1.00 0.00 C ATOM 932 O VAL A 56 12.974 -7.194 -7.281 1.00 0.00 O ATOM 933 CB VAL A 56 10.457 -8.839 -5.673 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.587 -7.516 -4.915 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.975 -9.170 -5.870 1.00 0.00 C ATOM 0 H VAL A 56 10.767 -10.813 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 56 10.588 -7.990 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 56 10.936 -9.633 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.105 -7.605 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.642 -7.278 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.107 -6.721 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.490 -9.260 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.497 -8.374 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.881 -10.112 -6.411 1.00 0.00 H new ATOM 945 N MET A 57 13.378 -9.069 -6.208 1.00 0.00 N ATOM 946 CA MET A 57 14.802 -8.696 -5.977 1.00 0.00 C ATOM 947 C MET A 57 15.484 -8.334 -7.300 1.00 0.00 C ATOM 948 O MET A 57 16.399 -7.535 -7.330 1.00 0.00 O ATOM 949 CB MET A 57 15.535 -9.874 -5.330 1.00 0.00 C ATOM 950 CG MET A 57 14.835 -10.258 -4.025 1.00 0.00 C ATOM 951 SD MET A 57 15.162 -8.996 -2.770 1.00 0.00 S ATOM 952 CE MET A 57 13.952 -9.568 -1.553 1.00 0.00 C ATOM 0 H MET A 57 13.102 -9.975 -5.829 1.00 0.00 H new ATOM 0 HA MET A 57 14.837 -7.829 -5.317 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.550 -10.725 -6.011 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.573 -9.606 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.762 -10.352 -4.190 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.191 -11.229 -3.681 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.982 -8.920 -0.677 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.954 -9.540 -1.991 1.00 0.00 H new ATOM 0 HE3 MET A 57 14.189 -10.590 -1.257 1.00 0.00 H new ATOM 962 N GLU A 58 15.042 -8.890 -8.403 1.00 0.00 N ATOM 963 CA GLU A 58 15.667 -8.541 -9.717 1.00 0.00 C ATOM 964 C GLU A 58 14.998 -7.288 -10.284 1.00 0.00 C ATOM 965 O GLU A 58 15.639 -6.475 -10.918 1.00 0.00 O ATOM 966 CB GLU A 58 15.541 -9.704 -10.702 1.00 0.00 C ATOM 967 CG GLU A 58 16.254 -9.340 -12.007 1.00 0.00 C ATOM 968 CD GLU A 58 16.255 -10.548 -12.945 1.00 0.00 C ATOM 969 OE1 GLU A 58 16.614 -11.623 -12.495 1.00 0.00 O ATOM 970 OE2 GLU A 58 15.898 -10.377 -14.099 1.00 0.00 O ATOM 0 H GLU A 58 14.280 -9.566 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 58 16.728 -8.344 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.978 -10.607 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.490 -9.919 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.754 -8.497 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.277 -9.027 -11.799 1.00 0.00 H new ATOM 977 N THR A 59 13.726 -7.107 -10.060 1.00 0.00 N ATOM 978 CA THR A 59 13.066 -5.884 -10.594 1.00 0.00 C ATOM 979 C THR A 59 13.605 -4.676 -9.827 1.00 0.00 C ATOM 980 O THR A 59 13.950 -3.672 -10.416 1.00 0.00 O ATOM 981 CB THR A 59 11.546 -5.988 -10.440 1.00 0.00 C ATOM 982 OG1 THR A 59 11.129 -7.304 -10.773 1.00 0.00 O ATOM 983 CG2 THR A 59 10.862 -4.984 -11.371 1.00 0.00 C ATOM 0 H THR A 59 13.123 -7.743 -9.538 1.00 0.00 H new ATOM 0 HA THR A 59 13.284 -5.774 -11.656 1.00 0.00 H new ATOM 0 HB THR A 59 11.270 -5.766 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.219 -7.884 -9.988 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.781 -5.061 -11.258 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.182 -3.974 -11.115 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.135 -5.201 -12.404 1.00 0.00 H new ATOM 991 N LEU A 60 13.730 -4.765 -8.533 1.00 0.00 N ATOM 992 CA LEU A 60 14.304 -3.620 -7.775 1.00 0.00 C ATOM 993 C LEU A 60 15.725 -3.373 -8.281 1.00 0.00 C ATOM 994 O LEU A 60 16.050 -2.296 -8.738 1.00 0.00 O ATOM 995 CB LEU A 60 14.354 -3.966 -6.284 1.00 0.00 C ATOM 996 CG LEU A 60 12.935 -4.223 -5.755 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.015 -4.963 -4.419 1.00 0.00 C ATOM 998 CD2 LEU A 60 12.195 -2.894 -5.546 1.00 0.00 C ATOM 0 H LEU A 60 13.462 -5.573 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 60 13.689 -2.731 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.974 -4.849 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.816 -3.150 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 60 12.393 -4.825 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.008 -5.146 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.528 -5.914 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.566 -4.357 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.191 -3.092 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.739 -2.285 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.130 -2.361 -6.494 1.00 0.00 H new ATOM 1010 N ASP A 61 16.573 -4.363 -8.215 1.00 0.00 N ATOM 1011 CA ASP A 61 17.966 -4.176 -8.707 1.00 0.00 C ATOM 1012 C ASP A 61 17.923 -3.583 -10.117 1.00 0.00 C ATOM 1013 O ASP A 61 18.873 -2.980 -10.576 1.00 0.00 O ATOM 1014 CB ASP A 61 18.681 -5.528 -8.743 1.00 0.00 C ATOM 1015 CG ASP A 61 20.099 -5.346 -9.289 1.00 0.00 C ATOM 1016 OD1 ASP A 61 20.569 -4.220 -9.299 1.00 0.00 O ATOM 1017 OD2 ASP A 61 20.690 -6.336 -9.688 1.00 0.00 O ATOM 0 H ASP A 61 16.362 -5.289 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 61 18.504 -3.502 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.719 -5.957 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.127 -6.227 -9.369 1.00 0.00 H new ATOM 1022 N GLU A 62 16.820 -3.752 -10.809 1.00 0.00 N ATOM 1023 CA GLU A 62 16.697 -3.203 -12.198 1.00 0.00 C ATOM 1024 C GLU A 62 15.858 -1.932 -12.161 1.00 0.00 C ATOM 1025 O GLU A 62 15.037 -1.674 -13.019 1.00 0.00 O ATOM 1026 CB GLU A 62 16.005 -4.203 -13.074 1.00 0.00 C ATOM 1027 CG GLU A 62 16.904 -5.421 -13.298 1.00 0.00 C ATOM 1028 CD GLU A 62 18.012 -5.064 -14.290 1.00 0.00 C ATOM 1029 OE1 GLU A 62 19.010 -4.509 -13.860 1.00 0.00 O ATOM 1030 OE2 GLU A 62 17.845 -5.353 -15.464 1.00 0.00 O ATOM 0 H GLU A 62 15.996 -4.249 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 62 17.692 -2.990 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.067 -4.514 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.754 -3.746 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.339 -5.744 -12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.315 -6.255 -13.679 1.00 0.00 H new ATOM 1037 N ASP A 63 16.078 -1.153 -11.175 1.00 0.00 N ATOM 1038 CA ASP A 63 15.330 0.129 -11.020 1.00 0.00 C ATOM 1039 C ASP A 63 15.262 0.855 -12.359 1.00 0.00 C ATOM 1040 O ASP A 63 14.261 1.445 -12.713 1.00 0.00 O ATOM 1041 CB ASP A 63 16.111 1.022 -10.049 1.00 0.00 C ATOM 1042 CG ASP A 63 15.419 2.384 -9.934 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.214 2.401 -9.744 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.107 3.386 -10.036 1.00 0.00 O ATOM 0 H ASP A 63 16.760 -1.339 -10.439 1.00 0.00 H new ATOM 0 HA ASP A 63 14.324 -0.079 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.168 0.548 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.134 1.151 -10.401 1.00 0.00 H new ATOM 1049 N GLY A 64 16.321 0.785 -13.112 1.00 0.00 N ATOM 1050 CA GLY A 64 16.354 1.438 -14.454 1.00 0.00 C ATOM 1051 C GLY A 64 15.964 2.922 -14.369 1.00 0.00 C ATOM 1052 O GLY A 64 16.057 3.633 -15.350 1.00 0.00 O ATOM 0 H GLY A 64 17.179 0.297 -12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.354 1.347 -14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.672 0.920 -15.129 1.00 0.00 H new ATOM 1056 N ASP A 65 15.521 3.406 -13.222 1.00 0.00 N ATOM 1057 CA ASP A 65 15.116 4.858 -13.103 1.00 0.00 C ATOM 1058 C ASP A 65 16.116 5.685 -12.252 1.00 0.00 C ATOM 1059 O ASP A 65 16.018 6.895 -12.219 1.00 0.00 O ATOM 1060 CB ASP A 65 13.734 4.929 -12.454 1.00 0.00 C ATOM 1061 CG ASP A 65 12.762 4.033 -13.225 1.00 0.00 C ATOM 1062 OD1 ASP A 65 12.676 4.187 -14.432 1.00 0.00 O ATOM 1063 OD2 ASP A 65 12.120 3.208 -12.595 1.00 0.00 O ATOM 0 H ASP A 65 15.422 2.861 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 65 15.107 5.285 -14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.792 4.610 -11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.374 5.958 -12.452 1.00 0.00 H new ATOM 1068 N GLY A 66 17.080 5.091 -11.578 1.00 0.00 N ATOM 1069 CA GLY A 66 18.042 5.911 -10.783 1.00 0.00 C ATOM 1070 C GLY A 66 17.420 6.332 -9.448 1.00 0.00 C ATOM 1071 O GLY A 66 18.118 6.515 -8.470 1.00 0.00 O ATOM 0 H GLY A 66 17.236 4.084 -11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.952 5.339 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.330 6.796 -11.351 1.00 0.00 H new ATOM 1075 N GLU A 67 16.117 6.482 -9.387 1.00 0.00 N ATOM 1076 CA GLU A 67 15.471 6.891 -8.094 1.00 0.00 C ATOM 1077 C GLU A 67 14.096 6.226 -7.960 1.00 0.00 C ATOM 1078 O GLU A 67 13.282 6.295 -8.860 1.00 0.00 O ATOM 1079 CB GLU A 67 15.292 8.418 -8.076 1.00 0.00 C ATOM 1080 CG GLU A 67 16.623 9.105 -7.752 1.00 0.00 C ATOM 1081 CD GLU A 67 17.005 8.828 -6.297 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.131 8.444 -5.538 1.00 0.00 O ATOM 1083 OE2 GLU A 67 18.166 9.006 -5.966 1.00 0.00 O ATOM 0 H GLU A 67 15.476 6.341 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 67 16.106 6.578 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.925 8.759 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.542 8.695 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.404 8.740 -8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.539 10.179 -7.918 1.00 0.00 H new ATOM 1090 N CYS A 68 13.820 5.598 -6.840 1.00 0.00 N ATOM 1091 CA CYS A 68 12.485 4.946 -6.641 1.00 0.00 C ATOM 1092 C CYS A 68 11.637 5.828 -5.718 1.00 0.00 C ATOM 1093 O CYS A 68 12.046 6.169 -4.627 1.00 0.00 O ATOM 1094 CB CYS A 68 12.676 3.570 -5.996 1.00 0.00 C ATOM 1095 SG CYS A 68 13.660 2.522 -7.094 1.00 0.00 S ATOM 0 H CYS A 68 14.464 5.509 -6.054 1.00 0.00 H new ATOM 0 HA CYS A 68 11.986 4.825 -7.603 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.174 3.674 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.707 3.108 -5.806 1.00 0.00 H new ATOM 0 HG CYS A 68 13.482 2.897 -8.326 1.00 0.00 H new ATOM 1101 N ASP A 69 10.464 6.206 -6.148 1.00 0.00 N ATOM 1102 CA ASP A 69 9.600 7.075 -5.295 1.00 0.00 C ATOM 1103 C ASP A 69 8.864 6.223 -4.257 1.00 0.00 C ATOM 1104 O ASP A 69 9.074 5.030 -4.154 1.00 0.00 O ATOM 1105 CB ASP A 69 8.579 7.795 -6.177 1.00 0.00 C ATOM 1106 CG ASP A 69 9.305 8.506 -7.321 1.00 0.00 C ATOM 1107 OD1 ASP A 69 10.456 8.865 -7.134 1.00 0.00 O ATOM 1108 OD2 ASP A 69 8.697 8.680 -8.365 1.00 0.00 O ATOM 0 H ASP A 69 10.066 5.952 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 69 10.224 7.806 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.860 7.080 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.016 8.517 -5.585 1.00 0.00 H new ATOM 1113 N PHE A 70 7.991 6.827 -3.494 1.00 0.00 N ATOM 1114 CA PHE A 70 7.229 6.051 -2.473 1.00 0.00 C ATOM 1115 C PHE A 70 6.171 5.209 -3.190 1.00 0.00 C ATOM 1116 O PHE A 70 5.884 4.096 -2.796 1.00 0.00 O ATOM 1117 CB PHE A 70 6.564 7.015 -1.486 1.00 0.00 C ATOM 1118 CG PHE A 70 5.953 6.243 -0.340 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.722 5.597 -0.508 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.614 6.179 0.893 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.154 4.887 0.557 1.00 0.00 C ATOM 1122 CE2 PHE A 70 6.046 5.470 1.957 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.815 4.824 1.789 1.00 0.00 C ATOM 0 H PHE A 70 7.773 7.823 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 70 7.900 5.396 -1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.300 7.724 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.795 7.596 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.211 5.646 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.563 6.678 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.205 4.388 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.557 5.421 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.376 4.277 2.610 1.00 0.00 H new ATOM 1133 N GLN A 71 5.605 5.712 -4.249 1.00 0.00 N ATOM 1134 CA GLN A 71 4.591 4.911 -4.989 1.00 0.00 C ATOM 1135 C GLN A 71 5.216 3.566 -5.365 1.00 0.00 C ATOM 1136 O GLN A 71 4.562 2.542 -5.356 1.00 0.00 O ATOM 1137 CB GLN A 71 4.179 5.661 -6.261 1.00 0.00 C ATOM 1138 CG GLN A 71 2.877 5.070 -6.811 1.00 0.00 C ATOM 1139 CD GLN A 71 1.697 5.549 -5.963 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.885 6.172 -4.937 1.00 0.00 O ATOM 1141 NE2 GLN A 71 0.480 5.285 -6.352 1.00 0.00 N ATOM 0 H GLN A 71 5.798 6.637 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 71 3.710 4.752 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.045 6.720 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.968 5.587 -7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.738 5.373 -7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.927 3.981 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.322 4.762 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.314 5.602 -5.795 1.00 0.00 H new ATOM 1150 N GLU A 72 6.480 3.558 -5.685 1.00 0.00 N ATOM 1151 CA GLU A 72 7.151 2.278 -6.049 1.00 0.00 C ATOM 1152 C GLU A 72 7.344 1.421 -4.793 1.00 0.00 C ATOM 1153 O GLU A 72 7.415 0.214 -4.858 1.00 0.00 O ATOM 1154 CB GLU A 72 8.507 2.566 -6.695 1.00 0.00 C ATOM 1155 CG GLU A 72 8.305 3.436 -7.938 1.00 0.00 C ATOM 1156 CD GLU A 72 7.683 2.595 -9.054 1.00 0.00 C ATOM 1157 OE1 GLU A 72 6.474 2.433 -9.043 1.00 0.00 O ATOM 1158 OE2 GLU A 72 8.426 2.129 -9.902 1.00 0.00 O ATOM 0 H GLU A 72 7.078 4.384 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 72 6.527 1.737 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.160 3.074 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.998 1.632 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.659 4.281 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.260 3.847 -8.267 1.00 0.00 H new ATOM 1165 N PHE A 73 7.391 2.042 -3.647 1.00 0.00 N ATOM 1166 CA PHE A 73 7.543 1.274 -2.376 1.00 0.00 C ATOM 1167 C PHE A 73 6.211 0.604 -2.027 1.00 0.00 C ATOM 1168 O PHE A 73 6.187 -0.543 -1.633 1.00 0.00 O ATOM 1169 CB PHE A 73 8.002 2.208 -1.251 1.00 0.00 C ATOM 1170 CG PHE A 73 7.945 1.490 0.079 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.931 0.554 0.412 1.00 0.00 C ATOM 1172 CD2 PHE A 73 6.910 1.767 0.982 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.882 -0.105 1.647 1.00 0.00 C ATOM 1174 CE2 PHE A 73 6.861 1.109 2.216 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.847 0.172 2.548 1.00 0.00 C ATOM 0 H PHE A 73 7.330 3.054 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 73 8.301 0.500 -2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.019 2.550 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.367 3.094 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.729 0.340 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.149 2.489 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.643 -0.827 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.063 1.324 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.809 -0.337 3.500 1.00 0.00 H new ATOM 1185 N MET A 74 5.106 1.265 -2.181 1.00 0.00 N ATOM 1186 CA MET A 74 3.824 0.578 -1.858 1.00 0.00 C ATOM 1187 C MET A 74 3.610 -0.552 -2.875 1.00 0.00 C ATOM 1188 O MET A 74 3.410 -1.689 -2.496 1.00 0.00 O ATOM 1189 CB MET A 74 2.658 1.575 -1.907 1.00 0.00 C ATOM 1190 CG MET A 74 1.482 1.035 -1.086 1.00 0.00 C ATOM 1191 SD MET A 74 1.868 1.177 0.683 1.00 0.00 S ATOM 1192 CE MET A 74 1.784 -0.582 1.113 1.00 0.00 C ATOM 0 H MET A 74 5.028 2.228 -2.508 1.00 0.00 H new ATOM 0 HA MET A 74 3.867 0.164 -0.851 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.976 2.541 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.349 1.738 -2.940 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.575 1.593 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.290 -0.006 -1.346 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.603 -0.687 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.972 -1.053 0.560 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.727 -1.065 0.855 1.00 0.00 H new ATOM 1202 N ALA A 75 3.646 -0.279 -4.148 1.00 0.00 N ATOM 1203 CA ALA A 75 3.441 -1.371 -5.146 1.00 0.00 C ATOM 1204 C ALA A 75 4.391 -2.543 -4.880 1.00 0.00 C ATOM 1205 O ALA A 75 3.980 -3.687 -4.888 1.00 0.00 O ATOM 1206 CB ALA A 75 3.703 -0.823 -6.551 1.00 0.00 C ATOM 0 H ALA A 75 3.808 0.648 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 75 2.415 -1.729 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.555 -1.616 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.013 -0.005 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.728 -0.458 -6.614 1.00 0.00 H new ATOM 1212 N PHE A 76 5.651 -2.293 -4.660 1.00 0.00 N ATOM 1213 CA PHE A 76 6.585 -3.435 -4.416 1.00 0.00 C ATOM 1214 C PHE A 76 6.238 -4.102 -3.078 1.00 0.00 C ATOM 1215 O PHE A 76 6.360 -5.301 -2.923 1.00 0.00 O ATOM 1216 CB PHE A 76 8.050 -2.936 -4.406 1.00 0.00 C ATOM 1217 CG PHE A 76 8.655 -3.056 -5.796 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.745 -4.312 -6.413 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.120 -1.916 -6.469 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.294 -4.426 -7.693 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.671 -2.033 -7.750 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.757 -3.288 -8.362 1.00 0.00 C ATOM 0 H PHE A 76 6.073 -1.365 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 76 6.477 -4.166 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.086 -1.898 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.636 -3.519 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.390 -5.192 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.053 -0.947 -5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.361 -5.394 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.030 -1.155 -8.266 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.181 -3.378 -9.351 1.00 0.00 H new ATOM 1232 N VAL A 77 5.797 -3.343 -2.121 1.00 0.00 N ATOM 1233 CA VAL A 77 5.433 -3.952 -0.810 1.00 0.00 C ATOM 1234 C VAL A 77 4.219 -4.866 -1.015 1.00 0.00 C ATOM 1235 O VAL A 77 4.075 -5.879 -0.359 1.00 0.00 O ATOM 1236 CB VAL A 77 5.103 -2.838 0.198 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.337 -3.414 1.398 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.406 -2.193 0.693 1.00 0.00 C ATOM 0 H VAL A 77 5.672 -2.333 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 77 6.265 -4.538 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 77 4.482 -2.090 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.110 -2.614 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.408 -3.868 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.948 -4.170 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.173 -1.403 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.025 -2.949 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.946 -1.769 -0.153 1.00 0.00 H new ATOM 1248 N SER A 78 3.346 -4.516 -1.917 1.00 0.00 N ATOM 1249 CA SER A 78 2.144 -5.361 -2.161 1.00 0.00 C ATOM 1250 C SER A 78 2.548 -6.665 -2.860 1.00 0.00 C ATOM 1251 O SER A 78 2.222 -7.746 -2.413 1.00 0.00 O ATOM 1252 CB SER A 78 1.163 -4.594 -3.047 1.00 0.00 C ATOM 1253 OG SER A 78 -0.072 -5.296 -3.100 1.00 0.00 O ATOM 0 H SER A 78 3.413 -3.680 -2.497 1.00 0.00 H new ATOM 0 HA SER A 78 1.675 -5.601 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.007 -3.590 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.573 -4.481 -4.050 1.00 0.00 H new ATOM 0 HG SER A 78 -0.062 -5.919 -3.856 1.00 0.00 H new ATOM 1259 N MET A 79 3.232 -6.569 -3.968 1.00 0.00 N ATOM 1260 CA MET A 79 3.633 -7.797 -4.718 1.00 0.00 C ATOM 1261 C MET A 79 4.303 -8.809 -3.788 1.00 0.00 C ATOM 1262 O MET A 79 4.088 -9.998 -3.903 1.00 0.00 O ATOM 1263 CB MET A 79 4.614 -7.411 -5.829 1.00 0.00 C ATOM 1264 CG MET A 79 3.915 -6.508 -6.850 1.00 0.00 C ATOM 1265 SD MET A 79 5.160 -5.598 -7.798 1.00 0.00 S ATOM 1266 CE MET A 79 5.681 -6.968 -8.860 1.00 0.00 C ATOM 0 H MET A 79 3.532 -5.690 -4.389 1.00 0.00 H new ATOM 0 HA MET A 79 2.738 -8.252 -5.143 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.475 -6.895 -5.403 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.991 -8.308 -6.321 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.298 -7.107 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.249 -5.812 -6.340 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.739 -7.173 -8.697 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.098 -7.857 -8.619 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.520 -6.700 -9.904 1.00 0.00 H new ATOM 1276 N VAL A 80 5.114 -8.360 -2.875 1.00 0.00 N ATOM 1277 CA VAL A 80 5.793 -9.323 -1.957 1.00 0.00 C ATOM 1278 C VAL A 80 4.790 -9.865 -0.938 1.00 0.00 C ATOM 1279 O VAL A 80 4.603 -11.060 -0.822 1.00 0.00 O ATOM 1280 CB VAL A 80 6.939 -8.625 -1.220 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.692 -9.648 -0.367 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.904 -8.003 -2.234 1.00 0.00 C ATOM 0 H VAL A 80 5.338 -7.377 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 80 6.193 -10.148 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 80 6.532 -7.841 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.509 -9.153 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.009 -10.090 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.096 -10.431 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.718 -7.507 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.311 -8.784 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.371 -7.274 -2.844 1.00 0.00 H new ATOM 1292 N THR A 81 4.136 -9.011 -0.204 1.00 0.00 N ATOM 1293 CA THR A 81 3.148 -9.508 0.788 1.00 0.00 C ATOM 1294 C THR A 81 2.121 -10.378 0.060 1.00 0.00 C ATOM 1295 O THR A 81 1.706 -11.410 0.548 1.00 0.00 O ATOM 1296 CB THR A 81 2.449 -8.314 1.444 1.00 0.00 C ATOM 1297 OG1 THR A 81 2.160 -7.336 0.455 1.00 0.00 O ATOM 1298 CG2 THR A 81 3.359 -7.705 2.513 1.00 0.00 C ATOM 0 H THR A 81 4.242 -7.997 -0.248 1.00 0.00 H new ATOM 0 HA THR A 81 3.647 -10.096 1.559 1.00 0.00 H new ATOM 0 HB THR A 81 1.522 -8.649 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.835 -6.626 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.857 -6.856 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.581 -8.455 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.288 -7.370 2.052 1.00 0.00 H new ATOM 1306 N THR A 82 1.717 -9.969 -1.111 1.00 0.00 N ATOM 1307 CA THR A 82 0.726 -10.767 -1.885 1.00 0.00 C ATOM 1308 C THR A 82 1.407 -12.013 -2.459 1.00 0.00 C ATOM 1309 O THR A 82 0.759 -12.987 -2.790 1.00 0.00 O ATOM 1310 CB THR A 82 0.159 -9.917 -3.025 1.00 0.00 C ATOM 1311 OG1 THR A 82 1.228 -9.386 -3.793 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.676 -8.774 -2.445 1.00 0.00 C ATOM 0 H THR A 82 2.032 -9.113 -1.567 1.00 0.00 H new ATOM 0 HA THR A 82 -0.087 -11.072 -1.226 1.00 0.00 H new ATOM 0 HB THR A 82 -0.473 -10.536 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.756 -8.774 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.079 -8.169 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.496 -9.185 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.048 -8.152 -1.807 1.00 0.00 H new ATOM 1320 N ALA A 83 2.710 -11.997 -2.577 1.00 0.00 N ATOM 1321 CA ALA A 83 3.419 -13.190 -3.126 1.00 0.00 C ATOM 1322 C ALA A 83 3.046 -14.414 -2.295 1.00 0.00 C ATOM 1323 O ALA A 83 3.078 -15.534 -2.766 1.00 0.00 O ATOM 1324 CB ALA A 83 4.932 -12.974 -3.053 1.00 0.00 C ATOM 0 H ALA A 83 3.310 -11.214 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 83 3.127 -13.340 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.444 -13.848 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.203 -12.094 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.229 -12.825 -2.015 1.00 0.00 H new ATOM 1330 N CYS A 84 2.688 -14.208 -1.059 1.00 0.00 N ATOM 1331 CA CYS A 84 2.308 -15.357 -0.193 1.00 0.00 C ATOM 1332 C CYS A 84 0.944 -15.889 -0.637 1.00 0.00 C ATOM 1333 O CYS A 84 0.119 -15.156 -1.146 1.00 0.00 O ATOM 1334 CB CYS A 84 2.227 -14.893 1.263 1.00 0.00 C ATOM 1335 SG CYS A 84 1.540 -16.220 2.284 1.00 0.00 S ATOM 0 H CYS A 84 2.642 -13.293 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 84 3.055 -16.146 -0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.218 -14.619 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.603 -14.002 1.338 1.00 0.00 H new ATOM 0 HG CYS A 84 2.509 -16.887 2.838 1.00 0.00 H new ATOM 1341 N HIS A 85 0.703 -17.160 -0.456 1.00 0.00 N ATOM 1342 CA HIS A 85 -0.606 -17.744 -0.874 1.00 0.00 C ATOM 1343 C HIS A 85 -1.750 -16.836 -0.417 1.00 0.00 C ATOM 1344 O HIS A 85 -1.561 -15.934 0.375 1.00 0.00 O ATOM 1345 CB HIS A 85 -0.770 -19.127 -0.242 1.00 0.00 C ATOM 1346 CG HIS A 85 -2.085 -19.720 -0.667 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -2.392 -19.959 -1.997 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -3.182 -20.130 0.050 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -3.628 -20.490 -2.040 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -4.155 -20.615 -0.819 1.00 0.00 N ATOM 0 H HIS A 85 1.357 -17.821 -0.036 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.630 -17.832 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.050 -19.777 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.728 -19.049 0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.276 -20.083 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.132 -20.780 -2.950 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.073 -20.986 -0.576 1.00 0.00 H new ATOM 1358 N GLU A 86 -2.937 -17.065 -0.912 1.00 0.00 N ATOM 1359 CA GLU A 86 -4.092 -16.213 -0.509 1.00 0.00 C ATOM 1360 C GLU A 86 -4.106 -16.054 1.013 1.00 0.00 C ATOM 1361 O GLU A 86 -4.438 -16.969 1.740 1.00 0.00 O ATOM 1362 CB GLU A 86 -5.396 -16.870 -0.965 1.00 0.00 C ATOM 1363 CG GLU A 86 -5.457 -16.874 -2.493 1.00 0.00 C ATOM 1364 CD GLU A 86 -6.749 -17.552 -2.951 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -7.509 -17.973 -2.094 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -6.958 -17.638 -4.150 1.00 0.00 O ATOM 0 H GLU A 86 -3.156 -17.806 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.997 -15.232 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.454 -17.890 -0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.250 -16.329 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.416 -15.853 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.594 -17.400 -2.900 1.00 0.00 H new ATOM 1373 N PHE A 87 -3.746 -14.899 1.498 1.00 0.00 N ATOM 1374 CA PHE A 87 -3.735 -14.678 2.970 1.00 0.00 C ATOM 1375 C PHE A 87 -5.166 -14.751 3.509 1.00 0.00 C ATOM 1376 O PHE A 87 -5.385 -15.017 4.674 1.00 0.00 O ATOM 1377 CB PHE A 87 -3.134 -13.305 3.281 1.00 0.00 C ATOM 1378 CG PHE A 87 -3.852 -12.239 2.490 1.00 0.00 C ATOM 1379 CD1 PHE A 87 -3.411 -11.902 1.205 1.00 0.00 C ATOM 1380 CD2 PHE A 87 -4.958 -11.584 3.045 1.00 0.00 C ATOM 1381 CE1 PHE A 87 -4.075 -10.909 0.475 1.00 0.00 C ATOM 1382 CE2 PHE A 87 -5.621 -10.590 2.315 1.00 0.00 C ATOM 1383 CZ PHE A 87 -5.180 -10.253 1.030 1.00 0.00 C ATOM 0 H PHE A 87 -3.458 -14.097 0.937 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.130 -15.449 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.216 -13.096 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.072 -13.299 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.558 -12.408 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.300 -11.845 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.735 -10.649 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.473 -10.083 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.692 -9.487 0.467 1.00 0.00 H new ATOM 1393 N PHE A 88 -6.144 -14.519 2.674 1.00 0.00 N ATOM 1394 CA PHE A 88 -7.556 -14.578 3.150 1.00 0.00 C ATOM 1395 C PHE A 88 -7.775 -15.886 3.912 1.00 0.00 C ATOM 1396 O PHE A 88 -8.427 -15.920 4.937 1.00 0.00 O ATOM 1397 CB PHE A 88 -8.507 -14.519 1.952 1.00 0.00 C ATOM 1398 CG PHE A 88 -8.226 -13.268 1.148 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -8.486 -12.009 1.703 1.00 0.00 C ATOM 1400 CD2 PHE A 88 -7.707 -13.366 -0.150 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -8.227 -10.849 0.962 1.00 0.00 C ATOM 1402 CE2 PHE A 88 -7.448 -12.207 -0.890 1.00 0.00 C ATOM 1403 CZ PHE A 88 -7.708 -10.948 -0.335 1.00 0.00 C ATOM 0 H PHE A 88 -6.026 -14.292 1.687 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.755 -13.732 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.378 -15.403 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.542 -14.520 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.886 -11.932 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.507 -14.337 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.428 -9.878 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.047 -12.284 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.508 -10.054 -0.907 1.00 0.00 H new ATOM 1413 N GLU A 89 -7.227 -16.962 3.413 1.00 0.00 N ATOM 1414 CA GLU A 89 -7.384 -18.283 4.092 1.00 0.00 C ATOM 1415 C GLU A 89 -6.116 -18.594 4.888 1.00 0.00 C ATOM 1416 O GLU A 89 -5.485 -19.614 4.697 1.00 0.00 O ATOM 1417 CB GLU A 89 -7.601 -19.371 3.037 1.00 0.00 C ATOM 1418 CG GLU A 89 -8.915 -19.109 2.297 1.00 0.00 C ATOM 1419 CD GLU A 89 -9.154 -20.218 1.271 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -8.299 -21.080 1.151 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -10.186 -20.185 0.623 1.00 0.00 O ATOM 0 H GLU A 89 -6.673 -16.983 2.557 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.241 -18.251 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.770 -19.380 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.628 -20.352 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.742 -19.071 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.877 -18.140 1.799 1.00 0.00 H new ATOM 1428 N HIS A 90 -5.739 -17.720 5.781 1.00 0.00 N ATOM 1429 CA HIS A 90 -4.512 -17.963 6.592 1.00 0.00 C ATOM 1430 C HIS A 90 -4.743 -19.155 7.523 1.00 0.00 C ATOM 1431 O HIS A 90 -5.391 -19.040 8.544 1.00 0.00 O ATOM 1432 CB HIS A 90 -4.200 -16.719 7.426 1.00 0.00 C ATOM 1433 CG HIS A 90 -2.929 -16.938 8.197 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -2.928 -17.408 9.501 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -1.610 -16.755 7.864 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -1.646 -17.492 9.901 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.801 -17.105 8.941 1.00 0.00 N ATOM 0 H HIS A 90 -6.228 -16.848 5.984 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.674 -18.177 5.929 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.099 -15.849 6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.022 -16.512 8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.254 -16.394 6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.338 -17.831 10.879 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.217 -17.073 8.987 1.00 0.00 H new ATOM 1445 N GLU A 91 -4.218 -20.299 7.181 1.00 0.00 N ATOM 1446 CA GLU A 91 -4.407 -21.494 8.050 1.00 0.00 C ATOM 1447 C GLU A 91 -3.471 -21.399 9.256 1.00 0.00 C ATOM 1448 O GLU A 91 -3.106 -20.290 9.612 1.00 0.00 O ATOM 1449 CB GLU A 91 -4.088 -22.761 7.253 1.00 0.00 C ATOM 1450 CG GLU A 91 -4.918 -22.777 5.969 1.00 0.00 C ATOM 1451 CD GLU A 91 -4.562 -24.015 5.145 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -3.382 -24.302 5.023 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -5.474 -24.655 4.650 1.00 0.00 O ATOM 1454 OXT GLU A 91 -3.134 -22.436 9.803 1.00 0.00 O ATOM 0 H GLU A 91 -3.667 -20.458 6.338 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.440 -21.534 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.025 -22.794 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.307 -23.645 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.981 -22.782 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.727 -21.874 5.389 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 9.149 -7.915 14.688 1.00 0.00 N ATOM 1463 CA MET B 0 7.808 -7.363 15.029 1.00 0.00 C ATOM 1464 C MET B 0 7.910 -5.846 15.208 1.00 0.00 C ATOM 1465 O MET B 0 7.485 -5.300 16.207 1.00 0.00 O ATOM 1466 CB MET B 0 7.313 -8.003 16.329 1.00 0.00 C ATOM 1467 CG MET B 0 5.810 -7.760 16.484 1.00 0.00 C ATOM 1468 SD MET B 0 5.265 -8.353 18.105 1.00 0.00 S ATOM 1469 CE MET B 0 3.691 -7.462 18.157 1.00 0.00 C ATOM 0 H1 MET B 0 9.086 -8.949 14.600 1.00 0.00 H new ATOM 0 H2 MET B 0 9.472 -7.510 13.787 1.00 0.00 H new ATOM 0 H3 MET B 0 9.826 -7.672 15.439 1.00 0.00 H new ATOM 0 HA MET B 0 7.106 -7.584 14.225 1.00 0.00 H new ATOM 0 HB2 MET B 0 7.519 -9.073 16.320 1.00 0.00 H new ATOM 0 HB3 MET B 0 7.849 -7.582 17.180 1.00 0.00 H new ATOM 0 HG2 MET B 0 5.590 -6.697 16.381 1.00 0.00 H new ATOM 0 HG3 MET B 0 5.264 -8.276 15.694 1.00 0.00 H new ATOM 0 HE1 MET B 0 3.176 -7.687 19.091 1.00 0.00 H new ATOM 0 HE2 MET B 0 3.878 -6.390 18.094 1.00 0.00 H new ATOM 0 HE3 MET B 0 3.069 -7.772 17.317 1.00 0.00 H new ATOM 1481 N SER B 1 8.469 -5.159 14.250 1.00 0.00 N ATOM 1482 CA SER B 1 8.592 -3.679 14.373 1.00 0.00 C ATOM 1483 C SER B 1 7.196 -3.053 14.363 1.00 0.00 C ATOM 1484 O SER B 1 6.214 -3.712 14.086 1.00 0.00 O ATOM 1485 CB SER B 1 9.404 -3.135 13.198 1.00 0.00 C ATOM 1486 OG SER B 1 8.595 -3.137 12.029 1.00 0.00 O ATOM 0 H SER B 1 8.845 -5.557 13.389 1.00 0.00 H new ATOM 0 HA SER B 1 9.097 -3.431 15.307 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.747 -2.124 13.415 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.293 -3.746 13.041 1.00 0.00 H new ATOM 0 HG SER B 1 9.111 -2.787 11.273 1.00 0.00 H new ATOM 1492 N GLU B 2 7.097 -1.788 14.667 1.00 0.00 N ATOM 1493 CA GLU B 2 5.760 -1.132 14.675 1.00 0.00 C ATOM 1494 C GLU B 2 5.108 -1.287 13.299 1.00 0.00 C ATOM 1495 O GLU B 2 3.908 -1.431 13.180 1.00 0.00 O ATOM 1496 CB GLU B 2 5.925 0.357 14.992 1.00 0.00 C ATOM 1497 CG GLU B 2 6.492 0.520 16.403 1.00 0.00 C ATOM 1498 CD GLU B 2 7.977 0.154 16.402 1.00 0.00 C ATOM 1499 OE1 GLU B 2 8.741 0.862 15.767 1.00 0.00 O ATOM 1500 OE2 GLU B 2 8.325 -0.829 17.036 1.00 0.00 O ATOM 0 H GLU B 2 7.881 -1.183 14.909 1.00 0.00 H new ATOM 0 HA GLU B 2 5.131 -1.600 15.432 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.591 0.822 14.265 1.00 0.00 H new ATOM 0 HB3 GLU B 2 4.964 0.865 14.914 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.360 1.547 16.743 1.00 0.00 H new ATOM 0 HG3 GLU B 2 5.950 -0.119 17.100 1.00 0.00 H new ATOM 1507 N LEU B 3 5.894 -1.245 12.259 1.00 0.00 N ATOM 1508 CA LEU B 3 5.330 -1.375 10.885 1.00 0.00 C ATOM 1509 C LEU B 3 4.625 -2.729 10.740 1.00 0.00 C ATOM 1510 O LEU B 3 3.483 -2.803 10.332 1.00 0.00 O ATOM 1511 CB LEU B 3 6.476 -1.258 9.860 1.00 0.00 C ATOM 1512 CG LEU B 3 5.962 -0.649 8.550 1.00 0.00 C ATOM 1513 CD1 LEU B 3 7.095 -0.620 7.523 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.804 -1.492 8.009 1.00 0.00 C ATOM 0 H LEU B 3 6.906 -1.126 12.301 1.00 0.00 H new ATOM 0 HA LEU B 3 4.602 -0.583 10.707 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.275 -0.639 10.267 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.902 -2.243 9.668 1.00 0.00 H new ATOM 0 HG LEU B 3 5.612 0.366 8.736 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.731 -0.187 6.591 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.918 -0.016 7.906 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.445 -1.636 7.339 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.441 -1.057 7.078 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.150 -2.509 7.823 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.996 -1.511 8.740 1.00 0.00 H new ATOM 1526 N GLU B 4 5.295 -3.801 11.066 1.00 0.00 N ATOM 1527 CA GLU B 4 4.658 -5.142 10.937 1.00 0.00 C ATOM 1528 C GLU B 4 3.287 -5.125 11.613 1.00 0.00 C ATOM 1529 O GLU B 4 2.306 -5.596 11.075 1.00 0.00 O ATOM 1530 CB GLU B 4 5.540 -6.197 11.607 1.00 0.00 C ATOM 1531 CG GLU B 4 6.964 -6.100 11.056 1.00 0.00 C ATOM 1532 CD GLU B 4 7.766 -7.325 11.498 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.406 -8.421 11.100 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.727 -7.147 12.229 1.00 0.00 O ATOM 0 H GLU B 4 6.253 -3.806 11.415 1.00 0.00 H new ATOM 0 HA GLU B 4 4.541 -5.384 9.881 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.546 -6.048 12.687 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.136 -7.193 11.425 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.941 -6.040 9.968 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.443 -5.189 11.415 1.00 0.00 H new ATOM 1541 N LYS B 5 3.219 -4.574 12.792 1.00 0.00 N ATOM 1542 CA LYS B 5 1.924 -4.506 13.524 1.00 0.00 C ATOM 1543 C LYS B 5 0.835 -3.968 12.596 1.00 0.00 C ATOM 1544 O LYS B 5 -0.272 -4.466 12.554 1.00 0.00 O ATOM 1545 CB LYS B 5 2.079 -3.545 14.710 1.00 0.00 C ATOM 1546 CG LYS B 5 0.852 -3.642 15.639 1.00 0.00 C ATOM 1547 CD LYS B 5 1.044 -4.773 16.658 1.00 0.00 C ATOM 1548 CE LYS B 5 -0.136 -4.788 17.631 1.00 0.00 C ATOM 1549 NZ LYS B 5 -0.231 -3.470 18.319 1.00 0.00 N ATOM 0 H LYS B 5 4.013 -4.164 13.284 1.00 0.00 H new ATOM 0 HA LYS B 5 1.648 -5.502 13.872 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.985 -3.786 15.266 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.190 -2.523 14.347 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.706 -2.695 16.159 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -0.046 -3.824 15.049 1.00 0.00 H new ATOM 0 HD2 LYS B 5 1.118 -5.731 16.144 1.00 0.00 H new ATOM 0 HD3 LYS B 5 1.977 -4.631 17.203 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.061 -4.997 17.094 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.006 -5.584 18.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -0.505 -3.616 19.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.691 -2.991 18.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.946 -2.882 17.845 1.00 0.00 H new ATOM 1563 N ALA B 6 1.152 -2.937 11.862 1.00 0.00 N ATOM 1564 CA ALA B 6 0.163 -2.320 10.934 1.00 0.00 C ATOM 1565 C ALA B 6 0.025 -3.151 9.649 1.00 0.00 C ATOM 1566 O ALA B 6 -1.021 -3.166 9.031 1.00 0.00 O ATOM 1567 CB ALA B 6 0.631 -0.895 10.596 1.00 0.00 C ATOM 0 H ALA B 6 2.069 -2.489 11.866 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.814 -2.289 11.416 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.083 -0.429 9.917 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.698 -0.307 11.511 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.611 -0.937 10.120 1.00 0.00 H new ATOM 1573 N MET B 7 1.045 -3.848 9.240 1.00 0.00 N ATOM 1574 CA MET B 7 0.914 -4.665 7.998 1.00 0.00 C ATOM 1575 C MET B 7 -0.185 -5.716 8.220 1.00 0.00 C ATOM 1576 O MET B 7 -1.056 -5.913 7.393 1.00 0.00 O ATOM 1577 CB MET B 7 2.260 -5.354 7.693 1.00 0.00 C ATOM 1578 CG MET B 7 2.430 -5.551 6.179 1.00 0.00 C ATOM 1579 SD MET B 7 0.869 -6.130 5.453 1.00 0.00 S ATOM 1580 CE MET B 7 0.692 -4.856 4.176 1.00 0.00 C ATOM 0 H MET B 7 1.953 -3.890 9.702 1.00 0.00 H new ATOM 0 HA MET B 7 0.648 -4.032 7.152 1.00 0.00 H new ATOM 0 HB2 MET B 7 3.081 -4.751 8.082 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.305 -6.318 8.199 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.732 -4.613 5.713 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.222 -6.274 5.984 1.00 0.00 H new ATOM 0 HE1 MET B 7 -0.221 -5.034 3.608 1.00 0.00 H new ATOM 0 HE2 MET B 7 0.641 -3.874 4.646 1.00 0.00 H new ATOM 0 HE3 MET B 7 1.550 -4.892 3.504 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.145 -6.384 9.340 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.170 -7.422 9.649 1.00 0.00 C ATOM 1592 C VAL B 8 -2.527 -6.761 9.921 1.00 0.00 C ATOM 1593 O VAL B 8 -3.564 -7.296 9.580 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.723 -8.201 10.888 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.566 -9.469 11.026 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.751 -8.590 10.736 1.00 0.00 C ATOM 0 H VAL B 8 0.563 -6.253 10.063 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.273 -8.096 8.799 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.851 -7.579 11.774 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.247 -10.024 11.909 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.617 -9.198 11.128 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.436 -10.091 10.140 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.073 -9.145 11.617 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.873 -9.213 9.850 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.356 -7.689 10.633 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.533 -5.603 10.525 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.827 -4.912 10.809 1.00 0.00 C ATOM 1608 C ALA B 9 -4.563 -4.652 9.493 1.00 0.00 C ATOM 1609 O ALA B 9 -5.734 -4.943 9.350 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.534 -3.571 11.483 1.00 0.00 C ATOM 0 H ALA B 9 -1.699 -5.105 10.835 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.442 -5.535 11.459 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.472 -3.058 11.695 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.995 -3.742 12.415 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.926 -2.956 10.820 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.878 -4.089 8.541 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.510 -3.779 7.229 1.00 0.00 C ATOM 1618 C LEU B 10 -5.225 -5.019 6.698 1.00 0.00 C ATOM 1619 O LEU B 10 -6.396 -4.996 6.374 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.381 -3.385 6.237 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.280 -1.856 6.098 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -2.838 -1.238 7.426 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -2.253 -1.515 5.016 1.00 0.00 C ATOM 0 H LEU B 10 -2.895 -3.827 8.616 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.231 -2.969 7.340 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.429 -3.786 6.585 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.577 -3.831 5.262 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.256 -1.456 5.824 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.769 -0.156 7.319 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.566 -1.480 8.200 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.863 -1.637 7.707 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.178 -0.432 4.914 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.281 -1.921 5.296 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.567 -1.948 4.066 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.503 -6.094 6.588 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.095 -7.346 6.055 1.00 0.00 C ATOM 1637 C ILE B 11 -6.322 -7.751 6.870 1.00 0.00 C ATOM 1638 O ILE B 11 -7.288 -8.252 6.331 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.055 -8.464 6.122 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.859 -8.100 5.239 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.676 -9.770 5.623 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.696 -9.046 5.540 1.00 0.00 C ATOM 0 H ILE B 11 -3.519 -6.159 6.847 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.400 -7.177 5.022 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.723 -8.590 7.153 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.136 -8.170 4.187 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.559 -7.068 5.422 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.934 -10.567 5.671 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.529 -10.030 6.250 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.008 -9.645 4.592 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.844 -8.787 4.911 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.414 -8.954 6.589 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.000 -10.073 5.335 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.292 -7.583 8.165 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.466 -8.018 8.976 1.00 0.00 C ATOM 1656 C ASP B 12 -8.673 -7.106 8.723 1.00 0.00 C ATOM 1657 O ASP B 12 -9.796 -7.567 8.701 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.111 -8.025 10.464 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.186 -8.790 11.240 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.352 -8.488 11.050 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -7.823 -9.664 12.009 1.00 0.00 O ATOM 0 H ASP B 12 -5.520 -7.171 8.689 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.733 -9.030 8.673 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.137 -8.491 10.615 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.036 -7.003 10.836 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.480 -5.823 8.534 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.671 -4.954 8.293 1.00 0.00 C ATOM 1668 C VAL B 13 -10.253 -5.267 6.913 1.00 0.00 C ATOM 1669 O VAL B 13 -11.456 -5.267 6.733 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.298 -3.474 8.401 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.501 -2.613 8.007 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.891 -3.156 9.842 1.00 0.00 C ATOM 0 H VAL B 13 -7.576 -5.351 8.536 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.423 -5.160 9.055 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.465 -3.259 7.732 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.235 -1.559 8.084 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.790 -2.840 6.981 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.335 -2.826 8.675 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.625 -2.102 9.921 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.724 -3.371 10.511 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.034 -3.768 10.122 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.438 -5.572 5.946 1.00 0.00 N ATOM 1683 CA PHE B 14 -10.005 -5.920 4.615 1.00 0.00 C ATOM 1684 C PHE B 14 -10.871 -7.169 4.790 1.00 0.00 C ATOM 1685 O PHE B 14 -11.858 -7.360 4.107 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.881 -6.208 3.617 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.474 -6.432 2.244 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -10.021 -7.678 1.909 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.479 -5.393 1.305 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.571 -7.884 0.639 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -10.029 -5.600 0.033 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.575 -6.847 -0.300 1.00 0.00 C ATOM 0 H PHE B 14 -8.421 -5.596 6.015 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.597 -5.089 4.231 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -8.180 -5.374 3.591 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.318 -7.087 3.930 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -10.018 -8.480 2.632 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -9.059 -4.432 1.561 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.993 -8.845 0.383 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -10.032 -4.798 -0.691 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.998 -7.007 -1.281 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.499 -8.019 5.712 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.282 -9.264 5.959 1.00 0.00 C ATOM 1704 C HIS B 15 -12.598 -8.922 6.664 1.00 0.00 C ATOM 1705 O HIS B 15 -13.615 -9.548 6.443 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.475 -10.207 6.857 1.00 0.00 C ATOM 1707 CG HIS B 15 -9.217 -10.639 6.155 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -8.466 -11.720 6.588 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -8.562 -10.148 5.054 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -7.414 -11.843 5.759 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -7.425 -10.909 4.805 1.00 0.00 N ATOM 0 H HIS B 15 -9.680 -7.902 6.308 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.491 -9.744 5.003 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -10.225 -9.706 7.792 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -11.075 -11.080 7.114 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -8.881 -9.298 4.469 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -6.654 -12.604 5.853 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -6.746 -10.781 4.055 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.573 -7.949 7.538 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.808 -7.582 8.291 1.00 0.00 C ATOM 1721 C GLN B 16 -14.957 -7.305 7.323 1.00 0.00 C ATOM 1722 O GLN B 16 -16.067 -7.754 7.528 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.543 -6.338 9.141 1.00 0.00 C ATOM 1724 CG GLN B 16 -12.628 -6.701 10.314 1.00 0.00 C ATOM 1725 CD GLN B 16 -13.433 -7.444 11.383 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -14.553 -7.077 11.680 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -12.907 -8.479 11.978 1.00 0.00 N ATOM 0 H GLN B 16 -11.748 -7.392 7.763 1.00 0.00 H new ATOM 0 HA GLN B 16 -14.084 -8.414 8.939 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -13.080 -5.562 8.532 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.484 -5.932 9.513 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.804 -7.324 9.966 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.188 -5.798 10.738 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.967 -8.787 11.729 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.436 -8.980 12.692 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.713 -6.570 6.274 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.811 -6.277 5.313 1.00 0.00 C ATOM 1738 C TYR B 17 -16.129 -7.538 4.509 1.00 0.00 C ATOM 1739 O TYR B 17 -17.277 -7.872 4.289 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.375 -5.153 4.363 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.515 -3.814 5.057 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.738 -3.530 6.186 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.421 -2.860 4.574 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.866 -2.294 6.833 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.549 -1.625 5.220 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.771 -1.342 6.349 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.898 -0.124 6.986 1.00 0.00 O ATOM 0 H TYR B 17 -13.807 -6.162 6.042 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.700 -5.961 5.858 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.341 -5.306 4.053 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.985 -5.171 3.460 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -14.039 -4.264 6.559 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -17.021 -3.078 3.703 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -14.267 -2.076 7.705 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -17.248 -0.891 4.848 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.568 0.420 6.521 1.00 0.00 H new ATOM 1757 N SER B 18 -15.121 -8.239 4.062 1.00 0.00 N ATOM 1758 CA SER B 18 -15.357 -9.478 3.262 1.00 0.00 C ATOM 1759 C SER B 18 -15.251 -10.713 4.160 1.00 0.00 C ATOM 1760 O SER B 18 -14.430 -11.579 3.931 1.00 0.00 O ATOM 1761 CB SER B 18 -14.305 -9.572 2.158 1.00 0.00 C ATOM 1762 OG SER B 18 -14.260 -8.342 1.447 1.00 0.00 O ATOM 0 H SER B 18 -14.140 -8.006 4.217 1.00 0.00 H new ATOM 0 HA SER B 18 -16.355 -9.436 2.826 1.00 0.00 H new ATOM 0 HB2 SER B 18 -13.328 -9.793 2.588 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.546 -10.390 1.479 1.00 0.00 H new ATOM 0 HG SER B 18 -13.585 -8.398 0.739 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.091 -10.821 5.165 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.069 -12.019 6.068 1.00 0.00 C ATOM 1770 C GLY B 19 -17.422 -12.718 5.936 1.00 0.00 C ATOM 1771 O GLY B 19 -17.625 -13.812 6.424 1.00 0.00 O ATOM 0 H GLY B 19 -16.797 -10.124 5.400 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.260 -12.694 5.790 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.892 -11.718 7.101 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.337 -12.099 5.244 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.676 -12.714 5.024 1.00 0.00 C ATOM 1777 C ARG B 20 -19.515 -13.957 4.150 1.00 0.00 C ATOM 1778 O ARG B 20 -20.227 -14.926 4.324 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.592 -11.710 4.320 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.976 -10.595 5.296 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.799 -9.534 4.563 1.00 0.00 C ATOM 1782 NE ARG B 20 -20.976 -8.923 3.481 1.00 0.00 N ATOM 1783 CZ ARG B 20 -21.411 -7.867 2.848 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -21.443 -6.712 3.453 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -21.814 -7.967 1.612 1.00 0.00 N ATOM 0 H ARG B 20 -18.212 -11.182 4.816 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.116 -12.991 5.982 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.087 -11.289 3.451 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.488 -12.213 3.955 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -21.550 -11.006 6.126 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -20.079 -10.145 5.721 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -22.697 -9.984 4.140 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -22.126 -8.765 5.263 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.073 -9.330 3.235 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -21.128 -6.634 4.420 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -21.783 -5.887 2.959 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -21.790 -8.870 1.139 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.154 -7.142 1.118 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.585 -13.969 3.231 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.406 -15.194 2.391 1.00 0.00 C ATOM 1801 C GLU B 21 -16.936 -15.361 2.009 1.00 0.00 C ATOM 1802 O GLU B 21 -16.393 -16.446 2.076 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.250 -15.072 1.118 1.00 0.00 C ATOM 1804 CG GLU B 21 -20.720 -14.869 1.490 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.587 -14.993 0.236 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.044 -15.325 -0.805 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -22.779 -14.753 0.338 1.00 0.00 O ATOM 0 H GLU B 21 -17.950 -13.198 3.026 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.727 -16.064 2.964 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.898 -14.234 0.516 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.140 -15.970 0.510 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.024 -15.610 2.230 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.859 -13.888 1.945 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.281 -14.307 1.604 1.00 0.00 N ATOM 1815 CA GLY B 22 -14.846 -14.432 1.217 1.00 0.00 C ATOM 1816 C GLY B 22 -14.687 -15.598 0.239 1.00 0.00 C ATOM 1817 O GLY B 22 -13.588 -16.007 -0.077 1.00 0.00 O ATOM 0 H GLY B 22 -16.674 -13.369 1.524 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.499 -13.507 0.757 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.232 -14.598 2.102 1.00 0.00 H new ATOM 1821 N ASP B 23 -15.773 -16.137 -0.249 1.00 0.00 N ATOM 1822 CA ASP B 23 -15.667 -17.271 -1.209 1.00 0.00 C ATOM 1823 C ASP B 23 -14.679 -16.880 -2.306 1.00 0.00 C ATOM 1824 O ASP B 23 -13.667 -17.524 -2.503 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.039 -17.553 -1.827 1.00 0.00 C ATOM 1826 CG ASP B 23 -16.966 -18.824 -2.674 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -16.859 -19.893 -2.095 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -17.017 -18.707 -3.887 1.00 0.00 O ATOM 0 H ASP B 23 -16.723 -15.842 -0.025 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.322 -18.168 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -17.786 -17.669 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.352 -16.710 -2.443 1.00 0.00 H new ATOM 1833 N LYS B 24 -14.947 -15.808 -3.001 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.006 -15.352 -4.062 1.00 0.00 C ATOM 1835 C LYS B 24 -12.996 -14.397 -3.424 1.00 0.00 C ATOM 1836 O LYS B 24 -13.167 -13.957 -2.305 1.00 0.00 O ATOM 1837 CB LYS B 24 -14.780 -14.617 -5.159 1.00 0.00 C ATOM 1838 CG LYS B 24 -15.688 -15.602 -5.897 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.561 -14.836 -6.894 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.458 -15.818 -7.650 1.00 0.00 C ATOM 1841 NZ LYS B 24 -16.621 -16.666 -8.545 1.00 0.00 N ATOM 0 H LYS B 24 -15.777 -15.228 -2.879 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.495 -16.207 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.376 -13.815 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.085 -14.153 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.087 -16.347 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.315 -16.140 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.171 -14.101 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.933 -14.287 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -18.005 -16.444 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.199 -15.274 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -17.224 -17.109 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -15.901 -16.076 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -16.153 -17.406 -7.984 1.00 0.00 H new ATOM 1855 N HIS B 25 -11.961 -14.051 -4.145 1.00 0.00 N ATOM 1856 CA HIS B 25 -10.937 -13.093 -3.622 1.00 0.00 C ATOM 1857 C HIS B 25 -10.946 -11.873 -4.539 1.00 0.00 C ATOM 1858 O HIS B 25 -9.916 -11.408 -4.986 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.557 -13.753 -3.657 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.199 -14.099 -5.076 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -9.602 -15.285 -5.671 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -8.475 -13.428 -6.030 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -9.121 -15.291 -6.928 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -8.427 -14.182 -7.199 1.00 0.00 N ATOM 0 H HIS B 25 -11.778 -14.396 -5.087 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.161 -12.806 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.810 -13.080 -3.237 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.557 -14.653 -3.042 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.013 -12.461 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.277 -16.095 -7.632 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.962 -13.940 -8.074 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.117 -11.359 -4.828 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.234 -10.172 -5.725 1.00 0.00 C ATOM 1874 C LYS B 26 -13.169 -9.130 -5.100 1.00 0.00 C ATOM 1875 O LYS B 26 -14.127 -9.466 -4.432 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.811 -10.622 -7.069 1.00 0.00 C ATOM 1877 CG LYS B 26 -11.966 -11.769 -7.628 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.397 -12.074 -9.064 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.390 -13.028 -9.707 1.00 0.00 C ATOM 1880 NZ LYS B 26 -11.308 -14.279 -8.901 1.00 0.00 N ATOM 0 H LYS B 26 -13.005 -11.717 -4.476 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.249 -9.728 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.844 -10.945 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.821 -9.788 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.910 -11.501 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.083 -12.657 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.391 -12.520 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.459 -11.151 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.693 -13.260 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.410 -12.555 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.489 -14.839 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.201 -14.037 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.177 -14.835 -9.033 1.00 0.00 H new ATOM 1894 N LEU B 27 -12.899 -7.868 -5.324 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.764 -6.778 -4.764 1.00 0.00 C ATOM 1896 C LEU B 27 -14.251 -5.911 -5.925 1.00 0.00 C ATOM 1897 O LEU B 27 -13.531 -5.683 -6.876 1.00 0.00 O ATOM 1898 CB LEU B 27 -12.938 -5.924 -3.796 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.859 -4.993 -2.990 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.763 -5.807 -2.038 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -12.990 -4.023 -2.179 1.00 0.00 C ATOM 0 H LEU B 27 -12.107 -7.541 -5.877 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.614 -7.202 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.377 -6.568 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.209 -5.334 -4.351 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.500 -4.440 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.406 -5.128 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.379 -6.493 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.143 -6.375 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.631 -3.356 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.350 -4.588 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.371 -3.435 -2.857 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.470 -5.431 -5.873 1.00 0.00 N ATOM 1914 CA LYS B 28 -15.985 -4.588 -6.997 1.00 0.00 C ATOM 1915 C LYS B 28 -15.712 -3.109 -6.705 1.00 0.00 C ATOM 1916 O LYS B 28 -15.586 -2.705 -5.567 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.491 -4.812 -7.155 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.755 -6.283 -7.486 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.237 -6.598 -7.275 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.533 -8.018 -7.763 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.281 -8.103 -9.229 1.00 0.00 N ATOM 0 H LYS B 28 -16.126 -5.585 -5.107 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.477 -4.869 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -18.009 -4.536 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.884 -4.174 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.472 -6.491 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.143 -6.924 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.493 -6.504 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.853 -5.880 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -18.905 -8.734 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -20.568 -8.280 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -20.029 -8.669 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.279 -7.146 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -18.358 -8.553 -9.397 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.623 -2.300 -7.725 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.361 -0.847 -7.514 1.00 0.00 C ATOM 1937 C LYS B 29 -16.464 -0.237 -6.637 1.00 0.00 C ATOM 1938 O LYS B 29 -16.211 0.598 -5.792 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.351 -0.140 -8.883 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.469 -0.709 -9.790 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.991 0.381 -10.736 1.00 0.00 C ATOM 1942 CE LYS B 29 -18.055 -0.212 -11.662 1.00 0.00 C ATOM 1943 NZ LYS B 29 -17.429 -1.228 -12.554 1.00 0.00 N ATOM 0 H LYS B 29 -15.721 -2.584 -8.700 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.399 -0.719 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.494 0.932 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.381 -0.274 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.085 -1.549 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.286 -1.090 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.413 1.205 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.170 0.791 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.850 -0.670 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.514 0.577 -12.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.135 -1.948 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.080 -0.764 -13.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.635 -1.682 -12.059 1.00 0.00 H new ATOM 1957 N SER B 30 -17.686 -0.634 -6.856 1.00 0.00 N ATOM 1958 CA SER B 30 -18.820 -0.071 -6.069 1.00 0.00 C ATOM 1959 C SER B 30 -18.621 -0.295 -4.567 1.00 0.00 C ATOM 1960 O SER B 30 -18.916 0.567 -3.754 1.00 0.00 O ATOM 1961 CB SER B 30 -20.114 -0.758 -6.504 1.00 0.00 C ATOM 1962 OG SER B 30 -21.221 -0.090 -5.914 1.00 0.00 O ATOM 0 H SER B 30 -17.951 -1.331 -7.553 1.00 0.00 H new ATOM 0 HA SER B 30 -18.868 1.002 -6.254 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.201 -0.741 -7.590 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.103 -1.805 -6.202 1.00 0.00 H new ATOM 0 HG SER B 30 -22.053 -0.527 -6.192 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.127 -1.444 -4.176 1.00 0.00 N ATOM 1969 CA GLU B 31 -17.938 -1.692 -2.715 1.00 0.00 C ATOM 1970 C GLU B 31 -16.638 -1.033 -2.261 1.00 0.00 C ATOM 1971 O GLU B 31 -16.560 -0.452 -1.197 1.00 0.00 O ATOM 1972 CB GLU B 31 -17.901 -3.195 -2.429 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.317 -3.769 -2.513 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.133 -3.298 -1.309 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -19.662 -3.465 -0.196 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -21.217 -2.778 -1.519 1.00 0.00 O ATOM 0 H GLU B 31 -17.851 -2.208 -4.793 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.775 -1.263 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.252 -3.696 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.482 -3.377 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.796 -3.448 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.278 -4.858 -2.535 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.621 -1.098 -3.076 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.334 -0.453 -2.707 1.00 0.00 C ATOM 1985 C LEU B 32 -14.610 1.024 -2.417 1.00 0.00 C ATOM 1986 O LEU B 32 -14.146 1.565 -1.437 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.335 -0.602 -3.863 1.00 0.00 C ATOM 1988 CG LEU B 32 -11.894 -0.451 -3.355 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -10.925 -0.756 -4.504 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.653 0.983 -2.838 1.00 0.00 C ATOM 0 H LEU B 32 -15.628 -1.570 -3.980 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.904 -0.925 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.460 -1.577 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.538 0.150 -4.626 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.728 -1.148 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -9.899 -0.651 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.086 -1.775 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.101 -0.059 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.627 1.074 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.820 1.694 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.341 1.195 -2.020 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.355 1.693 -3.251 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.621 3.131 -2.987 1.00 0.00 C ATOM 2004 C LYS B 33 -16.151 3.288 -1.562 1.00 0.00 C ATOM 2005 O LYS B 33 -15.621 4.041 -0.770 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.660 3.652 -3.982 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.731 5.178 -3.897 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.760 5.697 -4.905 1.00 0.00 C ATOM 2009 CE LYS B 33 -17.762 7.227 -4.894 1.00 0.00 C ATOM 2010 NZ LYS B 33 -18.984 7.727 -5.585 1.00 0.00 N ATOM 0 H LYS B 33 -15.786 1.312 -4.093 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.699 3.702 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.395 3.346 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.636 3.220 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.008 5.484 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.752 5.611 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.523 5.331 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.752 5.320 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -17.736 7.594 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -16.869 7.606 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.986 8.767 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -18.990 7.388 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.830 7.376 -5.092 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.209 2.596 -1.239 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.784 2.727 0.135 1.00 0.00 C ATOM 2026 C GLU B 34 -16.663 2.612 1.179 1.00 0.00 C ATOM 2027 O GLU B 34 -16.697 3.270 2.201 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.823 1.629 0.369 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.082 1.935 -0.445 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.041 0.746 -0.366 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -21.567 0.506 0.709 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -21.233 0.096 -1.380 1.00 0.00 O ATOM 0 H GLU B 34 -17.698 1.950 -1.859 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.265 3.700 0.230 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.416 0.661 0.078 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.069 1.566 1.429 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.567 2.833 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.817 2.134 -1.483 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.670 1.798 0.942 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.562 1.675 1.941 1.00 0.00 C ATOM 2041 C LEU B 35 -13.764 2.987 1.984 1.00 0.00 C ATOM 2042 O LEU B 35 -13.409 3.462 3.043 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.638 0.495 1.569 1.00 0.00 C ATOM 2044 CG LEU B 35 -14.156 -0.814 2.204 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.675 -2.015 1.384 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -13.623 -0.949 3.639 1.00 0.00 C ATOM 0 H LEU B 35 -15.575 1.217 0.109 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.985 1.482 2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.592 0.388 0.485 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.623 0.697 1.912 1.00 0.00 H new ATOM 0 HG LEU B 35 -15.246 -0.787 2.218 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -14.043 -2.936 1.837 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.054 -1.935 0.365 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.585 -2.030 1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -13.993 -1.875 4.079 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.533 -0.966 3.622 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -13.964 -0.102 4.235 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.493 3.591 0.859 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.739 4.879 0.869 1.00 0.00 C ATOM 2060 C ILE B 36 -13.474 5.892 1.750 1.00 0.00 C ATOM 2061 O ILE B 36 -12.870 6.722 2.399 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.672 5.423 -0.562 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.158 4.324 -1.497 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.720 6.623 -0.612 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.923 4.900 -2.897 1.00 0.00 C ATOM 0 H ILE B 36 -13.760 3.250 -0.065 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.734 4.715 1.258 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.666 5.738 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.231 3.906 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.880 3.509 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.674 7.008 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.084 7.404 0.055 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.724 6.311 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.557 4.114 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.859 5.297 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.185 5.700 -2.842 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.776 5.849 1.744 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.570 6.828 2.540 1.00 0.00 C ATOM 2079 C ASN B 37 -15.347 6.643 4.046 1.00 0.00 C ATOM 2080 O ASN B 37 -15.179 7.601 4.774 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.055 6.631 2.228 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.278 6.729 0.718 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -18.147 6.075 0.176 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -16.524 7.524 0.009 1.00 0.00 N ATOM 0 H ASN B 37 -15.330 5.173 1.218 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.246 7.833 2.269 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.388 5.659 2.593 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.649 7.386 2.744 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -16.665 7.596 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -15.794 8.074 0.463 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.379 5.429 4.531 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.206 5.201 6.002 1.00 0.00 C ATOM 2093 C ASN B 38 -13.746 4.888 6.351 1.00 0.00 C ATOM 2094 O ASN B 38 -13.358 4.956 7.501 1.00 0.00 O ATOM 2095 CB ASN B 38 -16.081 4.021 6.428 1.00 0.00 C ATOM 2096 CG ASN B 38 -17.549 4.350 6.153 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -18.338 4.475 7.069 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -17.952 4.497 4.921 1.00 0.00 N ATOM 0 H ASN B 38 -15.517 4.585 3.975 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.498 6.110 6.527 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.790 3.123 5.883 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.937 3.811 7.488 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.929 4.717 4.727 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.290 4.392 4.152 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.935 4.527 5.391 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.508 4.189 5.705 1.00 0.00 C ATOM 2107 C GLU B 39 -10.594 5.393 5.452 1.00 0.00 C ATOM 2108 O GLU B 39 -9.567 5.533 6.085 1.00 0.00 O ATOM 2109 CB GLU B 39 -11.062 3.029 4.813 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.955 1.814 5.072 1.00 0.00 C ATOM 2111 CD GLU B 39 -11.602 1.200 6.428 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.627 1.637 7.018 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -12.312 0.304 6.853 1.00 0.00 O ATOM 0 H GLU B 39 -13.194 4.451 4.407 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.438 3.911 6.757 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.120 3.320 3.764 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.021 2.779 5.017 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.004 2.111 5.057 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.821 1.076 4.281 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.959 6.264 4.543 1.00 0.00 N ATOM 2121 CA LEU B 40 -10.113 7.471 4.248 1.00 0.00 C ATOM 2122 C LEU B 40 -10.925 8.739 4.554 1.00 0.00 C ATOM 2123 O LEU B 40 -10.775 9.763 3.916 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.695 7.441 2.759 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.311 6.786 2.599 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.275 5.420 3.308 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -8.017 6.603 1.106 1.00 0.00 C ATOM 0 H LEU B 40 -11.811 6.193 3.987 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.216 7.468 4.868 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.434 6.889 2.179 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.671 8.456 2.362 1.00 0.00 H new ATOM 0 HG LEU B 40 -7.556 7.428 3.052 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.289 4.972 3.184 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.481 5.556 4.370 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.029 4.764 2.873 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.038 6.140 0.982 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.780 5.965 0.661 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -8.023 7.575 0.612 1.00 0.00 H new ATOM 2139 N SER B 41 -11.783 8.672 5.535 1.00 0.00 N ATOM 2140 CA SER B 41 -12.611 9.858 5.900 1.00 0.00 C ATOM 2141 C SER B 41 -11.735 10.925 6.562 1.00 0.00 C ATOM 2142 O SER B 41 -11.891 12.105 6.315 1.00 0.00 O ATOM 2143 CB SER B 41 -13.701 9.428 6.883 1.00 0.00 C ATOM 2144 OG SER B 41 -13.183 9.477 8.206 1.00 0.00 O ATOM 0 H SER B 41 -11.947 7.841 6.103 1.00 0.00 H new ATOM 0 HA SER B 41 -13.062 10.270 4.997 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.567 10.084 6.794 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.040 8.419 6.650 1.00 0.00 H new ATOM 0 HG SER B 41 -13.710 10.107 8.741 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.822 10.532 7.408 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.955 11.540 8.084 1.00 0.00 C ATOM 2152 C HIS B 42 -9.008 12.181 7.067 1.00 0.00 C ATOM 2153 O HIS B 42 -8.905 13.389 6.978 1.00 0.00 O ATOM 2154 CB HIS B 42 -9.136 10.853 9.179 1.00 0.00 C ATOM 2155 CG HIS B 42 -10.045 10.446 10.306 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -11.413 10.296 10.136 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -9.798 10.151 11.624 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -11.931 9.925 11.321 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -10.989 9.823 12.263 1.00 0.00 N ATOM 0 H HIS B 42 -10.639 9.561 7.660 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.583 12.314 8.525 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.628 9.978 8.773 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.363 11.528 9.547 1.00 0.00 H new ATOM 0 HD1 HIS B 42 -11.932 10.441 9.270 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -8.826 10.171 12.094 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.980 9.733 11.490 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.314 11.386 6.299 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.374 11.957 5.293 1.00 0.00 C ATOM 2169 C PHE B 43 -8.137 12.901 4.360 1.00 0.00 C ATOM 2170 O PHE B 43 -7.590 13.850 3.834 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.748 10.823 4.478 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.728 10.095 5.325 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.436 10.616 5.469 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -6.075 8.900 5.966 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.493 9.943 6.253 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -5.131 8.226 6.750 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.840 8.747 6.893 1.00 0.00 C ATOM 0 H PHE B 43 -8.357 10.367 6.325 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.587 12.512 5.804 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.521 10.130 4.146 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.273 11.224 3.583 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -4.168 11.538 4.974 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.071 8.498 5.856 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.497 10.346 6.365 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.399 7.304 7.244 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.111 8.227 7.497 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.395 12.635 4.141 1.00 0.00 N ATOM 2188 CA LEU B 44 -10.204 13.497 3.231 1.00 0.00 C ATOM 2189 C LEU B 44 -10.012 14.975 3.607 1.00 0.00 C ATOM 2190 O LEU B 44 -10.232 15.861 2.807 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.693 13.097 3.360 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.421 13.194 2.003 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -12.282 14.612 1.436 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -11.847 12.163 1.002 1.00 0.00 C ATOM 0 H LEU B 44 -9.901 11.853 4.556 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.879 13.359 2.200 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.766 12.079 3.742 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -12.184 13.746 4.085 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.477 12.973 2.158 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.798 14.673 0.478 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.722 15.327 2.132 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -11.227 14.846 1.295 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.373 12.247 0.051 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.786 12.358 0.848 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.977 11.157 1.401 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.612 15.248 4.820 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.419 16.666 5.240 1.00 0.00 C ATOM 2208 C GLU B 45 -8.063 17.180 4.750 1.00 0.00 C ATOM 2209 O GLU B 45 -7.940 18.302 4.300 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.473 16.752 6.770 1.00 0.00 C ATOM 2211 CG GLU B 45 -9.547 18.219 7.214 1.00 0.00 C ATOM 2212 CD GLU B 45 -8.174 18.876 7.059 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -7.221 18.349 7.610 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -8.099 19.895 6.393 1.00 0.00 O ATOM 0 H GLU B 45 -9.411 14.551 5.537 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.209 17.278 4.806 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.341 16.207 7.142 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.591 16.278 7.200 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -10.286 18.753 6.616 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.874 18.279 8.252 1.00 0.00 H new ATOM 2221 N GLU B 46 -7.043 16.374 4.843 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.692 16.823 4.394 1.00 0.00 C ATOM 2223 C GLU B 46 -5.569 16.673 2.875 1.00 0.00 C ATOM 2224 O GLU B 46 -4.693 15.990 2.383 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.621 15.970 5.079 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.496 16.388 6.546 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.427 15.534 7.231 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -3.078 14.503 6.680 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -2.976 15.925 8.295 1.00 0.00 O ATOM 0 H GLU B 46 -7.084 15.423 5.210 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.555 17.871 4.661 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.884 14.914 5.012 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.664 16.093 4.572 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.232 17.443 6.613 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.453 16.266 7.053 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.435 17.318 2.130 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.382 17.235 0.632 1.00 0.00 C ATOM 2238 C ILE B 47 -6.159 18.639 0.063 1.00 0.00 C ATOM 2239 O ILE B 47 -6.445 19.629 0.705 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.713 16.689 0.104 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -8.004 15.312 0.724 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -7.654 16.568 -1.422 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -6.836 14.344 0.480 1.00 0.00 C ATOM 0 H ILE B 47 -7.184 17.904 2.498 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.569 16.575 0.330 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.512 17.377 0.381 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -8.175 15.420 1.795 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -8.918 14.901 0.295 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.602 16.179 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.469 17.550 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.849 15.889 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -7.065 13.377 0.928 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.684 14.220 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.929 14.747 0.931 1.00 0.00 H new ATOM 2255 N LYS B 48 -5.653 18.734 -1.140 1.00 0.00 N ATOM 2256 CA LYS B 48 -5.415 20.074 -1.757 1.00 0.00 C ATOM 2257 C LYS B 48 -5.666 19.981 -3.264 1.00 0.00 C ATOM 2258 O LYS B 48 -6.414 20.756 -3.827 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.968 20.504 -1.500 1.00 0.00 C ATOM 2260 CG LYS B 48 -3.776 21.952 -1.961 1.00 0.00 C ATOM 2261 CD LYS B 48 -2.299 22.351 -1.827 1.00 0.00 C ATOM 2262 CE LYS B 48 -1.912 22.500 -0.347 1.00 0.00 C ATOM 2263 NZ LYS B 48 -1.576 21.163 0.218 1.00 0.00 N ATOM 0 H LYS B 48 -5.394 17.939 -1.723 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.090 20.809 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -3.734 20.415 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -3.282 19.847 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -4.098 22.059 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -4.398 22.619 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -1.669 21.598 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -2.121 23.290 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -1.059 23.172 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.735 22.946 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.270 20.911 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.599 20.450 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.625 21.192 0.637 1.00 0.00 H new ATOM 2277 N GLU B 49 -5.056 19.030 -3.920 1.00 0.00 N ATOM 2278 CA GLU B 49 -5.270 18.877 -5.389 1.00 0.00 C ATOM 2279 C GLU B 49 -6.595 18.136 -5.618 1.00 0.00 C ATOM 2280 O GLU B 49 -6.623 17.018 -6.091 1.00 0.00 O ATOM 2281 CB GLU B 49 -4.093 18.087 -5.992 1.00 0.00 C ATOM 2282 CG GLU B 49 -3.915 18.446 -7.474 1.00 0.00 C ATOM 2283 CD GLU B 49 -3.420 19.889 -7.600 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -3.168 20.501 -6.575 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -3.303 20.358 -8.720 1.00 0.00 O ATOM 0 H GLU B 49 -4.419 18.352 -3.502 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.319 19.852 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.178 18.310 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.273 17.017 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.203 17.765 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.861 18.328 -8.003 1.00 0.00 H new ATOM 2292 N GLN B 50 -7.691 18.751 -5.261 1.00 0.00 N ATOM 2293 CA GLN B 50 -9.021 18.092 -5.424 1.00 0.00 C ATOM 2294 C GLN B 50 -9.133 17.424 -6.798 1.00 0.00 C ATOM 2295 O GLN B 50 -9.922 16.520 -6.990 1.00 0.00 O ATOM 2296 CB GLN B 50 -10.121 19.148 -5.291 1.00 0.00 C ATOM 2297 CG GLN B 50 -10.075 19.761 -3.890 1.00 0.00 C ATOM 2298 CD GLN B 50 -11.193 20.795 -3.747 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -12.359 20.455 -3.779 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -10.884 22.053 -3.590 1.00 0.00 N ATOM 0 H GLN B 50 -7.723 19.689 -4.860 1.00 0.00 H new ATOM 0 HA GLN B 50 -9.130 17.328 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.987 19.925 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -11.097 18.696 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -10.188 18.981 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -9.107 20.231 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.905 22.338 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -11.621 22.751 -3.494 1.00 0.00 H new ATOM 2309 N GLU B 51 -8.365 17.857 -7.757 1.00 0.00 N ATOM 2310 CA GLU B 51 -8.453 17.236 -9.111 1.00 0.00 C ATOM 2311 C GLU B 51 -7.812 15.844 -9.097 1.00 0.00 C ATOM 2312 O GLU B 51 -8.140 15.002 -9.911 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.774 18.128 -10.152 1.00 0.00 C ATOM 2314 CG GLU B 51 -8.302 19.560 -10.022 1.00 0.00 C ATOM 2315 CD GLU B 51 -9.828 19.560 -10.134 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -10.337 18.921 -11.041 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -10.463 20.198 -9.311 1.00 0.00 O ATOM 0 H GLU B 51 -7.683 18.610 -7.665 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.504 17.132 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.693 18.113 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.968 17.747 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -7.998 19.984 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.871 20.189 -10.801 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.941 15.566 -8.168 1.00 0.00 N ATOM 2325 CA VAL B 52 -6.346 14.200 -8.111 1.00 0.00 C ATOM 2326 C VAL B 52 -7.399 13.254 -7.533 1.00 0.00 C ATOM 2327 O VAL B 52 -7.691 12.221 -8.102 1.00 0.00 O ATOM 2328 CB VAL B 52 -5.106 14.210 -7.206 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.673 12.773 -6.893 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.962 14.938 -7.915 1.00 0.00 C ATOM 0 H VAL B 52 -6.617 16.217 -7.452 1.00 0.00 H new ATOM 0 HA VAL B 52 -6.046 13.874 -9.107 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.350 14.723 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.793 12.790 -6.251 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.484 12.251 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.434 12.254 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.082 14.945 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.727 14.425 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.262 15.963 -8.131 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.980 13.593 -6.418 1.00 0.00 N ATOM 2341 CA VAL B 53 -9.016 12.702 -5.834 1.00 0.00 C ATOM 2342 C VAL B 53 -10.186 12.602 -6.812 1.00 0.00 C ATOM 2343 O VAL B 53 -10.847 11.588 -6.911 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.504 13.285 -4.506 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.478 12.309 -3.845 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -8.306 13.514 -3.581 1.00 0.00 C ATOM 0 H VAL B 53 -7.784 14.443 -5.889 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.597 11.712 -5.655 1.00 0.00 H new ATOM 0 HB VAL B 53 -10.010 14.233 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.825 12.725 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -11.331 12.144 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.974 11.361 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.651 13.929 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.801 12.566 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.611 14.210 -4.051 1.00 0.00 H new ATOM 2356 N ASP B 54 -10.448 13.656 -7.535 1.00 0.00 N ATOM 2357 CA ASP B 54 -11.573 13.637 -8.509 1.00 0.00 C ATOM 2358 C ASP B 54 -11.332 12.549 -9.560 1.00 0.00 C ATOM 2359 O ASP B 54 -12.215 11.779 -9.882 1.00 0.00 O ATOM 2360 CB ASP B 54 -11.672 14.999 -9.199 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.998 15.094 -9.954 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -13.064 14.588 -11.062 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -13.926 15.671 -9.412 1.00 0.00 O ATOM 0 H ASP B 54 -9.928 14.533 -7.492 1.00 0.00 H new ATOM 0 HA ASP B 54 -12.503 13.426 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -11.604 15.798 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -10.838 15.130 -9.889 1.00 0.00 H new ATOM 2368 N LYS B 55 -10.146 12.489 -10.113 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.866 11.461 -11.158 1.00 0.00 C ATOM 2370 C LYS B 55 -9.928 10.064 -10.540 1.00 0.00 C ATOM 2371 O LYS B 55 -10.256 9.104 -11.209 1.00 0.00 O ATOM 2372 CB LYS B 55 -8.488 11.699 -11.775 1.00 0.00 C ATOM 2373 CG LYS B 55 -8.539 12.920 -12.700 1.00 0.00 C ATOM 2374 CD LYS B 55 -7.117 13.417 -12.976 1.00 0.00 C ATOM 2375 CE LYS B 55 -6.257 12.258 -13.487 1.00 0.00 C ATOM 2376 NZ LYS B 55 -7.019 11.486 -14.510 1.00 0.00 N ATOM 0 H LYS B 55 -9.365 13.104 -9.887 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.619 11.538 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -7.750 11.857 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -8.173 10.819 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.032 12.659 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -9.129 13.713 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -7.138 14.220 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.683 13.831 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.332 12.640 -13.919 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -5.977 11.607 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.355 11.041 -15.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -7.583 10.750 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -7.651 12.128 -15.029 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.661 9.931 -9.273 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.761 8.588 -8.640 1.00 0.00 C ATOM 2392 C VAL B 56 -11.221 8.138 -8.708 1.00 0.00 C ATOM 2393 O VAL B 56 -11.535 7.080 -9.217 1.00 0.00 O ATOM 2394 CB VAL B 56 -9.324 8.685 -7.177 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.579 7.348 -6.478 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.829 9.014 -7.116 1.00 0.00 C ATOM 0 H VAL B 56 -9.379 10.689 -8.651 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.121 7.874 -9.157 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.893 9.470 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -9.268 7.417 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.642 7.110 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -9.010 6.563 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.514 9.084 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -7.263 8.227 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -7.645 9.965 -7.615 1.00 0.00 H new ATOM 2406 N MET B 57 -12.113 8.935 -8.189 1.00 0.00 N ATOM 2407 CA MET B 57 -13.556 8.564 -8.208 1.00 0.00 C ATOM 2408 C MET B 57 -14.006 8.230 -9.634 1.00 0.00 C ATOM 2409 O MET B 57 -14.903 7.435 -9.833 1.00 0.00 O ATOM 2410 CB MET B 57 -14.387 9.732 -7.671 1.00 0.00 C ATOM 2411 CG MET B 57 -13.915 10.087 -6.259 1.00 0.00 C ATOM 2412 SD MET B 57 -14.449 8.802 -5.102 1.00 0.00 S ATOM 2413 CE MET B 57 -13.460 9.346 -3.688 1.00 0.00 C ATOM 0 H MET B 57 -11.904 9.832 -7.750 1.00 0.00 H new ATOM 0 HA MET B 57 -13.702 7.685 -7.580 1.00 0.00 H new ATOM 0 HB2 MET B 57 -14.286 10.596 -8.328 1.00 0.00 H new ATOM 0 HB3 MET B 57 -15.443 9.464 -7.656 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.829 10.180 -6.240 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.323 11.053 -5.960 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.637 8.681 -2.843 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.403 9.322 -3.953 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.743 10.363 -3.416 1.00 0.00 H new ATOM 2423 N GLU B 58 -13.385 8.806 -10.636 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.781 8.484 -12.043 1.00 0.00 C ATOM 2425 C GLU B 58 -13.026 7.241 -12.515 1.00 0.00 C ATOM 2426 O GLU B 58 -13.552 6.442 -13.263 1.00 0.00 O ATOM 2427 CB GLU B 58 -13.490 9.666 -12.970 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.974 9.330 -14.382 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.818 10.556 -15.284 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -14.247 11.623 -14.879 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -13.272 10.406 -16.365 1.00 0.00 O ATOM 0 H GLU B 58 -12.626 9.481 -10.541 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.853 8.287 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.992 10.562 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.421 9.881 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.401 8.495 -14.784 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -15.018 9.017 -14.355 1.00 0.00 H new ATOM 2438 N THR B 59 -11.810 7.050 -12.084 1.00 0.00 N ATOM 2439 CA THR B 59 -11.070 5.835 -12.523 1.00 0.00 C ATOM 2440 C THR B 59 -11.730 4.615 -11.882 1.00 0.00 C ATOM 2441 O THR B 59 -11.972 3.623 -12.540 1.00 0.00 O ATOM 2442 CB THR B 59 -9.598 5.931 -12.115 1.00 0.00 C ATOM 2443 OG1 THR B 59 -9.130 7.252 -12.347 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.767 4.943 -12.937 1.00 0.00 C ATOM 0 H THR B 59 -11.303 7.673 -11.456 1.00 0.00 H new ATOM 0 HA THR B 59 -11.106 5.746 -13.609 1.00 0.00 H new ATOM 0 HB THR B 59 -9.500 5.688 -11.057 1.00 0.00 H new ATOM 0 HG1 THR B 59 -9.293 7.801 -11.552 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.720 5.015 -12.643 1.00 0.00 H new ATOM 0 HG22 THR B 59 -9.125 3.929 -12.758 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.863 5.180 -13.997 1.00 0.00 H new ATOM 2452 N LEU B 60 -12.071 4.679 -10.626 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.764 3.521 -9.998 1.00 0.00 C ATOM 2454 C LEU B 60 -14.080 3.290 -10.739 1.00 0.00 C ATOM 2455 O LEU B 60 -14.325 2.223 -11.266 1.00 0.00 O ATOM 2456 CB LEU B 60 -13.064 3.839 -8.529 1.00 0.00 C ATOM 2457 CG LEU B 60 -11.754 4.080 -7.765 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -12.057 4.795 -6.447 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -11.060 2.744 -7.461 1.00 0.00 C ATOM 0 H LEU B 60 -11.902 5.475 -10.012 1.00 0.00 H new ATOM 0 HA LEU B 60 -12.134 2.633 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -13.701 4.721 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.613 3.014 -8.075 1.00 0.00 H new ATOM 0 HG LEU B 60 -11.097 4.693 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.128 4.966 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.538 5.751 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -12.722 4.178 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -10.133 2.931 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -11.717 2.123 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -10.837 2.229 -8.395 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.927 4.282 -10.798 1.00 0.00 N ATOM 2472 CA ASP B 61 -16.218 4.109 -11.520 1.00 0.00 C ATOM 2473 C ASP B 61 -15.939 3.543 -12.914 1.00 0.00 C ATOM 2474 O ASP B 61 -16.798 2.952 -13.537 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.916 5.464 -11.649 1.00 0.00 C ATOM 2476 CG ASP B 61 -18.222 5.297 -12.428 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -18.685 4.174 -12.539 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -18.738 6.297 -12.901 1.00 0.00 O ATOM 0 H ASP B 61 -14.781 5.201 -10.379 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.861 3.424 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -17.121 5.874 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -16.264 6.173 -12.160 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.736 3.720 -13.407 1.00 0.00 N ATOM 2484 CA GLU B 62 -14.383 3.194 -14.763 1.00 0.00 C ATOM 2485 C GLU B 62 -13.564 1.921 -14.616 1.00 0.00 C ATOM 2486 O GLU B 62 -12.608 1.680 -15.327 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.551 4.212 -15.491 1.00 0.00 C ATOM 2488 CG GLU B 62 -14.399 5.438 -15.841 1.00 0.00 C ATOM 2489 CD GLU B 62 -15.326 5.105 -17.013 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -16.382 4.546 -16.767 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -14.964 5.416 -18.136 1.00 0.00 O ATOM 0 H GLU B 62 -13.981 4.208 -12.926 1.00 0.00 H new ATOM 0 HA GLU B 62 -15.299 2.989 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.705 4.511 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -13.141 3.773 -16.401 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.986 5.745 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -13.753 6.277 -16.102 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.947 1.123 -13.695 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.236 -0.168 -13.435 1.00 0.00 C ATOM 2500 C ASP B 63 -12.943 -0.862 -14.763 1.00 0.00 C ATOM 2501 O ASP B 63 -11.896 -1.448 -14.957 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.163 -1.072 -12.627 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.503 -2.437 -12.429 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.346 -2.461 -12.042 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.164 -3.433 -12.667 1.00 0.00 O ATOM 0 H ASP B 63 -14.744 1.298 -13.083 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.307 0.024 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.379 -0.617 -11.660 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -15.115 -1.189 -13.144 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.859 -0.771 -15.682 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.666 -1.396 -17.020 1.00 0.00 C ATOM 2512 C GLY B 64 -13.297 -2.885 -16.903 1.00 0.00 C ATOM 2513 O GLY B 64 -13.224 -3.576 -17.900 1.00 0.00 O ATOM 0 H GLY B 64 -14.747 -0.283 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.579 -1.292 -17.606 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.880 -0.867 -17.559 1.00 0.00 H new ATOM 2517 N ASP B 65 -13.052 -3.391 -15.711 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.673 -4.843 -15.555 1.00 0.00 C ATOM 2519 C ASP B 65 -13.802 -5.685 -14.898 1.00 0.00 C ATOM 2520 O ASP B 65 -13.711 -6.897 -14.873 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.420 -4.935 -14.683 1.00 0.00 C ATOM 2522 CG ASP B 65 -10.331 -4.029 -15.261 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -10.044 -4.161 -16.439 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -9.804 -3.220 -14.516 1.00 0.00 O ATOM 0 H ASP B 65 -13.098 -2.863 -14.839 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.496 -5.247 -16.552 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.652 -4.636 -13.661 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.067 -5.965 -14.642 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.865 -5.103 -14.384 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.946 -5.935 -13.779 1.00 0.00 C ATOM 2531 C GLY B 66 -15.558 -6.383 -12.366 1.00 0.00 C ATOM 2532 O GLY B 66 -16.411 -6.584 -11.524 1.00 0.00 O ATOM 0 H GLY B 66 -15.025 -4.096 -14.360 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.874 -5.364 -13.743 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.133 -6.808 -14.404 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.284 -6.540 -12.090 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.864 -6.977 -10.716 1.00 0.00 C ATOM 2538 C GLU B 67 -12.531 -6.319 -10.340 1.00 0.00 C ATOM 2539 O GLU B 67 -11.577 -6.374 -11.091 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.692 -8.504 -10.698 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.058 -9.193 -10.616 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.679 -8.943 -9.240 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.945 -8.577 -8.338 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -16.879 -9.123 -9.112 1.00 0.00 O ATOM 0 H GLU B 67 -13.521 -6.386 -12.750 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.629 -6.679 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.167 -8.828 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.078 -8.797 -9.847 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -15.716 -8.812 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.947 -10.264 -10.787 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.447 -5.714 -9.177 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.164 -5.071 -8.744 1.00 0.00 C ATOM 2553 C CYS B 68 -10.484 -5.974 -7.710 1.00 0.00 C ATOM 2554 O CYS B 68 -11.070 -6.335 -6.710 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.460 -3.708 -8.114 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.246 -2.635 -9.340 1.00 0.00 S ATOM 0 H CYS B 68 -13.213 -5.638 -8.508 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.510 -4.933 -9.605 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -12.113 -3.829 -7.249 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.537 -3.253 -7.755 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.001 -3.088 -10.534 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.255 -6.348 -7.944 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.547 -7.237 -6.975 1.00 0.00 C ATOM 2564 C ASP B 69 -7.995 -6.407 -5.812 1.00 0.00 C ATOM 2565 O ASP B 69 -8.219 -5.217 -5.722 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.392 -7.943 -7.688 1.00 0.00 C ATOM 2567 CG ASP B 69 -7.916 -8.629 -8.951 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -9.082 -8.987 -8.967 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -7.141 -8.785 -9.881 1.00 0.00 O ATOM 0 H ASP B 69 -8.710 -6.077 -8.763 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.248 -7.976 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.616 -7.223 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.936 -8.678 -7.025 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.262 -7.029 -4.926 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.682 -6.276 -3.776 1.00 0.00 C ATOM 2576 C PHE B 70 -5.519 -5.425 -4.288 1.00 0.00 C ATOM 2577 O PHE B 70 -5.302 -4.321 -3.829 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.193 -7.261 -2.710 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.783 -6.514 -1.463 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.541 -5.870 -1.409 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.642 -6.472 -0.358 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.159 -5.183 -0.250 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -6.260 -5.786 0.800 1.00 0.00 C ATOM 2584 CZ PHE B 70 -5.018 -5.141 0.854 1.00 0.00 C ATOM 0 H PHE B 70 -7.040 -8.024 -4.949 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.437 -5.630 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.982 -7.974 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.349 -7.835 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.878 -5.903 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.600 -6.969 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.201 -4.686 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.923 -5.754 1.652 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.723 -4.611 1.748 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.783 -5.909 -5.247 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.659 -5.097 -5.790 1.00 0.00 C ATOM 2596 C GLN B 71 -4.212 -3.742 -6.239 1.00 0.00 C ATOM 2597 O GLN B 71 -3.569 -2.721 -6.100 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.040 -5.824 -6.990 1.00 0.00 C ATOM 2599 CG GLN B 71 -1.664 -5.227 -7.302 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.643 -5.727 -6.278 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.001 -6.368 -5.310 1.00 0.00 O ATOM 2602 NE2 GLN B 71 0.622 -5.459 -6.451 1.00 0.00 N ATOM 0 H GLN B 71 -4.909 -6.825 -5.677 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.894 -4.953 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -2.945 -6.888 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -3.692 -5.733 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.353 -5.510 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.715 -4.138 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.923 -4.921 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.310 -5.788 -5.774 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.405 -3.724 -6.767 1.00 0.00 N ATOM 2612 CA GLU B 72 -6.004 -2.435 -7.212 1.00 0.00 C ATOM 2613 C GLU B 72 -6.405 -1.602 -5.990 1.00 0.00 C ATOM 2614 O GLU B 72 -6.464 -0.393 -6.042 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.233 -2.705 -8.083 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.825 -3.551 -9.291 1.00 0.00 C ATOM 2617 CD GLU B 72 -6.024 -2.691 -10.270 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -4.834 -2.534 -10.053 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -6.615 -2.206 -11.221 1.00 0.00 O ATOM 0 H GLU B 72 -5.991 -4.547 -6.909 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.269 -1.882 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.996 -3.224 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.670 -1.764 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.228 -4.403 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -7.711 -3.952 -9.783 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.644 -2.245 -4.880 1.00 0.00 N ATOM 2627 CA PHE B 73 -7.007 -1.501 -3.638 1.00 0.00 C ATOM 2628 C PHE B 73 -5.752 -0.842 -3.058 1.00 0.00 C ATOM 2629 O PHE B 73 -5.795 0.297 -2.642 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.649 -2.455 -2.625 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.815 -1.763 -1.290 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.843 -0.830 -1.109 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -6.947 -2.062 -0.232 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -9.001 -0.195 0.129 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.106 -1.428 1.005 1.00 0.00 C ATOM 2636 CZ PHE B 73 -8.133 -0.494 1.186 1.00 0.00 C ATOM 0 H PHE B 73 -6.603 -3.259 -4.778 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.733 -0.722 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.619 -2.789 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.029 -3.344 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -9.514 -0.600 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.155 -2.782 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.793 0.526 0.269 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.436 -1.659 1.820 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.256 -0.004 2.141 1.00 0.00 H new ATOM 2646 N MET B 74 -4.638 -1.505 -3.036 1.00 0.00 N ATOM 2647 CA MET B 74 -3.427 -0.829 -2.490 1.00 0.00 C ATOM 2648 C MET B 74 -3.046 0.321 -3.433 1.00 0.00 C ATOM 2649 O MET B 74 -2.912 1.449 -3.004 1.00 0.00 O ATOM 2650 CB MET B 74 -2.270 -1.828 -2.363 1.00 0.00 C ATOM 2651 CG MET B 74 -1.249 -1.310 -1.345 1.00 0.00 C ATOM 2652 SD MET B 74 -1.926 -1.485 0.331 1.00 0.00 S ATOM 2653 CE MET B 74 -1.915 0.266 0.804 1.00 0.00 C ATOM 0 H MET B 74 -4.508 -2.463 -3.362 1.00 0.00 H new ATOM 0 HA MET B 74 -3.637 -0.435 -1.496 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.649 -2.800 -2.049 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.792 -1.970 -3.332 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.317 -1.868 -1.433 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.015 -0.265 -1.547 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.629 0.429 1.611 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.917 0.546 1.140 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.193 0.877 -0.055 1.00 0.00 H new ATOM 2663 N ALA B 75 -2.868 0.072 -4.700 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.498 1.182 -5.628 1.00 0.00 C ATOM 2665 C ALA B 75 -3.479 2.353 -5.502 1.00 0.00 C ATOM 2666 O ALA B 75 -3.072 3.495 -5.418 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.520 0.663 -7.067 1.00 0.00 C ATOM 0 H ALA B 75 -2.962 -0.846 -5.134 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.500 1.534 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.251 1.470 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.805 -0.153 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.520 0.303 -7.309 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.758 2.103 -5.501 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.719 3.243 -5.395 1.00 0.00 C ATOM 2675 C PHE B 76 -5.602 3.883 -4.005 1.00 0.00 C ATOM 2676 O PHE B 76 -5.748 5.079 -3.849 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.165 2.749 -5.642 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.528 2.898 -7.111 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.513 4.166 -7.708 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -7.874 1.774 -7.873 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.839 4.308 -9.060 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.202 1.918 -9.226 1.00 0.00 C ATOM 2683 CZ PHE B 76 -8.183 3.184 -9.820 1.00 0.00 C ATOM 0 H PHE B 76 -5.178 1.176 -5.568 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.478 3.989 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.257 1.705 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.862 3.320 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.249 5.035 -7.123 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.888 0.796 -7.416 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.825 5.286 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.470 1.051 -9.812 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.434 3.294 -10.865 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.327 3.104 -3.002 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.189 3.686 -1.637 1.00 0.00 C ATOM 2695 C VAL B 77 -3.957 4.600 -1.617 1.00 0.00 C ATOM 2696 O VAL B 77 -3.925 5.599 -0.927 1.00 0.00 O ATOM 2697 CB VAL B 77 -5.032 2.551 -0.610 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.479 3.101 0.712 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.400 1.902 -0.354 1.00 0.00 C ATOM 0 H VAL B 77 -5.192 2.095 -3.064 1.00 0.00 H new ATOM 0 HA VAL B 77 -6.075 4.267 -1.380 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.337 1.811 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.373 2.287 1.429 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.506 3.559 0.537 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.165 3.848 1.110 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.291 1.098 0.373 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -7.091 2.651 0.034 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.791 1.497 -1.287 1.00 0.00 H new ATOM 2709 N SER B 78 -2.945 4.264 -2.367 1.00 0.00 N ATOM 2710 CA SER B 78 -1.719 5.109 -2.389 1.00 0.00 C ATOM 2711 C SER B 78 -2.000 6.428 -3.120 1.00 0.00 C ATOM 2712 O SER B 78 -1.753 7.499 -2.603 1.00 0.00 O ATOM 2713 CB SER B 78 -0.603 4.356 -3.113 1.00 0.00 C ATOM 2714 OG SER B 78 0.623 5.055 -2.944 1.00 0.00 O ATOM 0 H SER B 78 -2.914 3.439 -2.967 1.00 0.00 H new ATOM 0 HA SER B 78 -1.416 5.328 -1.365 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.515 3.344 -2.717 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.839 4.264 -4.173 1.00 0.00 H new ATOM 0 HG SER B 78 0.767 5.652 -3.708 1.00 0.00 H new ATOM 2720 N MET B 79 -2.488 6.356 -4.329 1.00 0.00 N ATOM 2721 CA MET B 79 -2.756 7.600 -5.111 1.00 0.00 C ATOM 2722 C MET B 79 -3.573 8.596 -4.286 1.00 0.00 C ATOM 2723 O MET B 79 -3.342 9.786 -4.341 1.00 0.00 O ATOM 2724 CB MET B 79 -3.537 7.239 -6.378 1.00 0.00 C ATOM 2725 CG MET B 79 -2.677 6.353 -7.285 1.00 0.00 C ATOM 2726 SD MET B 79 -3.746 5.467 -8.446 1.00 0.00 S ATOM 2727 CE MET B 79 -4.081 6.858 -9.553 1.00 0.00 C ATOM 0 H MET B 79 -2.714 5.486 -4.812 1.00 0.00 H new ATOM 0 HA MET B 79 -1.803 8.060 -5.371 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.457 6.718 -6.113 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.826 8.146 -6.909 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.956 6.962 -7.830 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.107 5.644 -6.685 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.151 7.063 -9.566 1.00 0.00 H new ATOM 0 HE2 MET B 79 -3.546 7.740 -9.201 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.747 6.610 -10.561 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.526 8.132 -3.532 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.349 9.079 -2.722 1.00 0.00 C ATOM 2739 C VAL B 80 -4.532 9.598 -1.539 1.00 0.00 C ATOM 2740 O VAL B 80 -4.366 10.789 -1.370 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.603 8.371 -2.202 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.488 9.380 -1.467 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.384 7.773 -3.375 1.00 0.00 C ATOM 0 H VAL B 80 -4.773 7.147 -3.439 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.644 9.917 -3.354 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.309 7.573 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.381 8.878 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.936 9.805 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.778 10.177 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.275 7.270 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.677 8.568 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.756 7.054 -3.901 1.00 0.00 H new ATOM 2753 N THR B 81 -4.010 8.728 -0.722 1.00 0.00 N ATOM 2754 CA THR B 81 -3.203 9.201 0.430 1.00 0.00 C ATOM 2755 C THR B 81 -2.068 10.082 -0.097 1.00 0.00 C ATOM 2756 O THR B 81 -1.740 11.103 0.474 1.00 0.00 O ATOM 2757 CB THR B 81 -2.624 7.992 1.171 1.00 0.00 C ATOM 2758 OG1 THR B 81 -2.173 7.032 0.226 1.00 0.00 O ATOM 2759 CG2 THR B 81 -3.701 7.367 2.060 1.00 0.00 C ATOM 0 H THR B 81 -4.107 7.716 -0.803 1.00 0.00 H new ATOM 0 HA THR B 81 -3.824 9.775 1.117 1.00 0.00 H new ATOM 0 HB THR B 81 -1.788 8.314 1.792 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.865 6.350 0.097 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.285 6.507 2.585 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.046 8.103 2.786 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.540 7.044 1.443 1.00 0.00 H new ATOM 2767 N THR B 82 -1.473 9.694 -1.191 1.00 0.00 N ATOM 2768 CA THR B 82 -0.366 10.503 -1.772 1.00 0.00 C ATOM 2769 C THR B 82 -0.940 11.763 -2.428 1.00 0.00 C ATOM 2770 O THR B 82 -0.245 12.740 -2.625 1.00 0.00 O ATOM 2771 CB THR B 82 0.384 9.674 -2.818 1.00 0.00 C ATOM 2772 OG1 THR B 82 -0.541 9.162 -3.765 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.110 8.517 -2.129 1.00 0.00 C ATOM 0 H THR B 82 -1.707 8.847 -1.710 1.00 0.00 H new ATOM 0 HA THR B 82 0.324 10.791 -0.979 1.00 0.00 H new ATOM 0 HB THR B 82 1.113 10.303 -3.328 1.00 0.00 H new ATOM 0 HG1 THR B 82 -1.060 8.438 -3.357 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.644 7.927 -2.874 1.00 0.00 H new ATOM 0 HG22 THR B 82 1.820 8.914 -1.403 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.384 7.885 -1.618 1.00 0.00 H new ATOM 2781 N ALA B 83 -2.205 11.754 -2.763 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.811 12.960 -3.399 1.00 0.00 C ATOM 2783 C ALA B 83 -2.583 14.167 -2.493 1.00 0.00 C ATOM 2784 O ALA B 83 -2.535 15.295 -2.941 1.00 0.00 O ATOM 2785 CB ALA B 83 -4.315 12.748 -3.585 1.00 0.00 C ATOM 0 H ALA B 83 -2.840 10.968 -2.624 1.00 0.00 H new ATOM 0 HA ALA B 83 -2.348 13.129 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.752 13.632 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -4.484 11.881 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.782 12.580 -2.614 1.00 0.00 H new ATOM 2791 N CYS B 84 -2.438 13.935 -1.220 1.00 0.00 N ATOM 2792 CA CYS B 84 -2.208 15.066 -0.279 1.00 0.00 C ATOM 2793 C CYS B 84 -0.789 15.601 -0.478 1.00 0.00 C ATOM 2794 O CYS B 84 0.110 14.875 -0.855 1.00 0.00 O ATOM 2795 CB CYS B 84 -2.373 14.573 1.160 1.00 0.00 C ATOM 2796 SG CYS B 84 -1.867 15.878 2.308 1.00 0.00 S ATOM 0 H CYS B 84 -2.469 13.011 -0.789 1.00 0.00 H new ATOM 0 HA CYS B 84 -2.930 15.860 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -3.411 14.295 1.344 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.770 13.679 1.321 1.00 0.00 H new ATOM 0 HG CYS B 84 -2.919 16.510 2.737 1.00 0.00 H new ATOM 2802 N HIS B 85 -0.581 16.867 -0.233 1.00 0.00 N ATOM 2803 CA HIS B 85 0.779 17.455 -0.414 1.00 0.00 C ATOM 2804 C HIS B 85 1.831 16.533 0.210 1.00 0.00 C ATOM 2805 O HIS B 85 1.511 15.617 0.941 1.00 0.00 O ATOM 2806 CB HIS B 85 0.836 18.824 0.264 1.00 0.00 C ATOM 2807 CG HIS B 85 2.204 19.421 0.077 1.00 0.00 C ATOM 2808 ND1 HIS B 85 2.729 19.685 -1.178 1.00 0.00 N ATOM 2809 CD2 HIS B 85 3.165 19.813 0.976 1.00 0.00 C ATOM 2810 CE1 HIS B 85 3.955 20.211 -1.001 1.00 0.00 C ATOM 2811 NE2 HIS B 85 4.270 20.311 0.293 1.00 0.00 N ATOM 0 H HIS B 85 -1.296 17.521 0.085 1.00 0.00 H new ATOM 0 HA HIS B 85 0.984 17.565 -1.479 1.00 0.00 H new ATOM 0 HB2 HIS B 85 0.079 19.483 -0.160 1.00 0.00 H new ATOM 0 HB3 HIS B 85 0.613 18.725 1.326 1.00 0.00 H new ATOM 0 HD2 HIS B 85 3.077 19.745 2.050 1.00 0.00 H new ATOM 0 HE1 HIS B 85 4.605 20.515 -1.808 1.00 0.00 H new ATOM 0 HE2 HIS B 85 5.135 20.674 0.694 1.00 0.00 H new ATOM 2819 N GLU B 86 3.084 16.768 -0.074 1.00 0.00 N ATOM 2820 CA GLU B 86 4.155 15.905 0.501 1.00 0.00 C ATOM 2821 C GLU B 86 3.913 15.716 2.000 1.00 0.00 C ATOM 2822 O GLU B 86 4.119 16.615 2.791 1.00 0.00 O ATOM 2823 CB GLU B 86 5.517 16.565 0.283 1.00 0.00 C ATOM 2824 CG GLU B 86 5.833 16.599 -1.213 1.00 0.00 C ATOM 2825 CD GLU B 86 7.184 17.281 -1.433 1.00 0.00 C ATOM 2826 OE1 GLU B 86 7.790 17.682 -0.454 1.00 0.00 O ATOM 2827 OE2 GLU B 86 7.591 17.389 -2.579 1.00 0.00 O ATOM 0 H GLU B 86 3.412 17.521 -0.679 1.00 0.00 H new ATOM 0 HA GLU B 86 4.140 14.934 0.007 1.00 0.00 H new ATOM 0 HB2 GLU B 86 5.512 17.577 0.688 1.00 0.00 H new ATOM 0 HB3 GLU B 86 6.290 16.013 0.817 1.00 0.00 H new ATOM 0 HG2 GLU B 86 5.855 15.586 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU B 86 5.051 17.137 -1.749 1.00 0.00 H new ATOM 2834 N PHE B 87 3.476 14.552 2.394 1.00 0.00 N ATOM 2835 CA PHE B 87 3.219 14.303 3.839 1.00 0.00 C ATOM 2836 C PHE B 87 4.538 14.361 4.612 1.00 0.00 C ATOM 2837 O PHE B 87 4.559 14.603 5.802 1.00 0.00 O ATOM 2838 CB PHE B 87 2.573 12.927 4.018 1.00 0.00 C ATOM 2839 CG PHE B 87 3.414 11.874 3.338 1.00 0.00 C ATOM 2840 CD1 PHE B 87 3.194 11.563 1.990 1.00 0.00 C ATOM 2841 CD2 PHE B 87 4.410 11.204 4.057 1.00 0.00 C ATOM 2842 CE1 PHE B 87 3.971 10.583 1.362 1.00 0.00 C ATOM 2843 CE2 PHE B 87 5.187 10.222 3.429 1.00 0.00 C ATOM 2844 CZ PHE B 87 4.967 9.912 2.082 1.00 0.00 C ATOM 0 H PHE B 87 3.286 13.762 1.777 1.00 0.00 H new ATOM 0 HA PHE B 87 2.544 15.068 4.223 1.00 0.00 H new ATOM 0 HB2 PHE B 87 2.474 12.697 5.079 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.567 12.930 3.597 1.00 0.00 H new ATOM 0 HD1 PHE B 87 2.425 12.080 1.435 1.00 0.00 H new ATOM 0 HD2 PHE B 87 4.580 11.444 5.096 1.00 0.00 H new ATOM 0 HE1 PHE B 87 3.802 10.344 0.322 1.00 0.00 H new ATOM 0 HE2 PHE B 87 5.955 9.704 3.984 1.00 0.00 H new ATOM 0 HZ PHE B 87 5.566 9.155 1.598 1.00 0.00 H new ATOM 2854 N PHE B 88 5.643 14.142 3.948 1.00 0.00 N ATOM 2855 CA PHE B 88 6.955 14.187 4.657 1.00 0.00 C ATOM 2856 C PHE B 88 7.043 15.478 5.471 1.00 0.00 C ATOM 2857 O PHE B 88 7.513 15.490 6.591 1.00 0.00 O ATOM 2858 CB PHE B 88 8.093 14.147 3.633 1.00 0.00 C ATOM 2859 CG PHE B 88 7.951 12.913 2.769 1.00 0.00 C ATOM 2860 CD1 PHE B 88 8.114 11.642 3.335 1.00 0.00 C ATOM 2861 CD2 PHE B 88 7.657 13.038 1.405 1.00 0.00 C ATOM 2862 CE1 PHE B 88 7.982 10.498 2.538 1.00 0.00 C ATOM 2863 CE2 PHE B 88 7.526 11.894 0.609 1.00 0.00 C ATOM 2864 CZ PHE B 88 7.688 10.624 1.175 1.00 0.00 C ATOM 0 H PHE B 88 5.693 13.935 2.951 1.00 0.00 H new ATOM 0 HA PHE B 88 7.041 13.328 5.323 1.00 0.00 H new ATOM 0 HB2 PHE B 88 8.070 15.043 3.013 1.00 0.00 H new ATOM 0 HB3 PHE B 88 9.056 14.138 4.144 1.00 0.00 H new ATOM 0 HD1 PHE B 88 8.342 11.544 4.386 1.00 0.00 H new ATOM 0 HD2 PHE B 88 7.531 14.017 0.967 1.00 0.00 H new ATOM 0 HE1 PHE B 88 8.107 9.518 2.975 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.300 11.991 -0.443 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.586 9.742 0.560 1.00 0.00 H new ATOM 2874 N GLU B 89 6.587 16.565 4.908 1.00 0.00 N ATOM 2875 CA GLU B 89 6.628 17.872 5.628 1.00 0.00 C ATOM 2876 C GLU B 89 5.244 18.172 6.207 1.00 0.00 C ATOM 2877 O GLU B 89 4.654 19.198 5.933 1.00 0.00 O ATOM 2878 CB GLU B 89 7.020 18.980 4.647 1.00 0.00 C ATOM 2879 CG GLU B 89 8.438 18.727 4.133 1.00 0.00 C ATOM 2880 CD GLU B 89 8.847 19.855 3.184 1.00 0.00 C ATOM 2881 OE1 GLU B 89 8.025 20.723 2.939 1.00 0.00 O ATOM 2882 OE2 GLU B 89 9.974 19.832 2.717 1.00 0.00 O ATOM 0 H GLU B 89 6.184 16.604 3.972 1.00 0.00 H new ATOM 0 HA GLU B 89 7.360 17.824 6.434 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.319 19.007 3.813 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.968 19.951 5.139 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.135 18.671 4.969 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.483 17.768 3.616 1.00 0.00 H new ATOM 2889 N HIS B 90 4.722 17.283 7.007 1.00 0.00 N ATOM 2890 CA HIS B 90 3.378 17.514 7.604 1.00 0.00 C ATOM 2891 C HIS B 90 3.449 18.687 8.584 1.00 0.00 C ATOM 2892 O HIS B 90 3.916 18.550 9.697 1.00 0.00 O ATOM 2893 CB HIS B 90 2.930 16.255 8.349 1.00 0.00 C ATOM 2894 CG HIS B 90 1.547 16.464 8.901 1.00 0.00 C ATOM 2895 ND1 HIS B 90 1.327 16.909 10.195 1.00 0.00 N ATOM 2896 CD2 HIS B 90 0.302 16.293 8.347 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -0.004 16.989 10.375 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -0.676 16.625 9.280 1.00 0.00 N ATOM 0 H HIS B 90 5.170 16.406 7.273 1.00 0.00 H new ATOM 0 HA HIS B 90 2.664 17.744 6.814 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.938 15.398 7.675 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.626 16.031 9.158 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.111 15.953 7.340 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -0.472 17.309 11.294 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -1.688 16.596 9.154 1.00 0.00 H new ATOM 2906 N GLU B 91 2.989 19.839 8.182 1.00 0.00 N ATOM 2907 CA GLU B 91 3.030 21.017 9.094 1.00 0.00 C ATOM 2908 C GLU B 91 1.905 20.902 10.124 1.00 0.00 C ATOM 2909 O GLU B 91 1.485 19.788 10.391 1.00 0.00 O ATOM 2910 CB GLU B 91 2.850 22.300 8.280 1.00 0.00 C ATOM 2911 CG GLU B 91 3.884 22.338 7.153 1.00 0.00 C ATOM 2912 CD GLU B 91 3.671 23.593 6.306 1.00 0.00 C ATOM 2913 OE1 GLU B 91 2.529 23.886 5.993 1.00 0.00 O ATOM 2914 OE2 GLU B 91 4.654 24.240 5.984 1.00 0.00 O ATOM 2915 OXT GLU B 91 1.481 21.929 10.627 1.00 0.00 O ATOM 0 H GLU B 91 2.586 20.016 7.262 1.00 0.00 H new ATOM 0 HA GLU B 91 3.991 21.047 9.608 1.00 0.00 H new ATOM 0 HB2 GLU B 91 1.843 22.342 7.865 1.00 0.00 H new ATOM 0 HB3 GLU B 91 2.966 23.172 8.924 1.00 0.00 H new ATOM 0 HG2 GLU B 91 4.891 22.334 7.569 1.00 0.00 H new ATOM 0 HG3 GLU B 91 3.793 21.447 6.531 1.00 0.00 H new TER 2922 GLU B 91