USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 MET CE :methyl 170:sc= -4.04 (180deg=-4.3) USER MOD Set 1.2: B 86 CYS SG : rot 176:sc= -0.255 USER MOD Set 2.1: A 76 CYS SG : rot 85:sc= 1.11 USER MOD Set 2.2: B 80 SER OG : rot 74:sc= 0.956 USER MOD Set 3.1: B 35 LYS NZ :NH3+ -164:sc=-0.00499 (180deg=-0.289) USER MOD Set 3.2: B 39 THR OG1 : rot 62:sc= 0.885 USER MOD Set 4.1: B 31 LYS NZ :NH3+ -140:sc= 0.0691 (180deg=-0.0523) USER MOD Set 4.2: B 32 SER OG : rot 180:sc= 0.0648 USER MOD Set 5.1: B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 3 CYS SG : rot 53:sc= -0.249 USER MOD Set 6.1: A 85 MET CE :methyl 173:sc= -4.7 (180deg=-4.84!) USER MOD Set 6.2: A 86 CYS SG : rot 175:sc= -0.294 USER MOD Set 7.1: A 80 SER OG : rot -80:sc= 0.529 USER MOD Set 7.2: B 76 CYS SG : rot 92:sc= 1.63 USER MOD Set 8.1: A 35 LYS NZ :NH3+ -164:sc= -0.0233 (180deg=-0.311) USER MOD Set 8.2: A 39 THR OG1 : rot 63:sc= 0.894 USER MOD Set 9.1: A 31 LYS NZ :NH3+ -143:sc= 0.0736 (180deg=-0.0272) USER MOD Set 9.2: A 32 SER OG : rot 180:sc= 0.0646 USER MOD Set10.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: A 3 CYS SG : rot 54:sc= -0.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -158:sc= -0.0566 (180deg=-1.27) USER MOD Single : A 14 SER OG : rot 63:sc= 0.857 USER MOD Single : A 15 THR OG1 : rot -173:sc= 0.996 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.157) USER MOD Single : A 19 TYR OH : rot -120:sc= -0.537 USER MOD Single : A 20 SER OG : rot 11:sc= 1.02 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -5.12! (180deg=-6.52!) USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= -1.45 (180deg=-3.94!) USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= -1.62! (180deg=-6.16!) USER MOD Single : A 30 ASN : amide:sc= -1.98 K(o=-2,f=-3.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.267) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -167:sc= 0 (180deg=-0.257) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.5 F(o=-3.5!,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= -0.116 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 68 ASN : amide:sc= -1.24 K(o=-1.2,f=-8.3!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.736 F(o=-2.1,f=-0.74) USER MOD Single : A 75 TYR OH : rot 100:sc= -1.83 USER MOD Single : A 81 CYS SG : rot -44:sc= -2.36! USER MOD Single : A 84 MET CE :methyl -152:sc= -0.224 (180deg=-2.01!) USER MOD Single : A 87 ASN : amide:sc= -2.92! C(o=-2.9!,f=-6.1!) USER MOD Single : A 96 LYS NZ :NH3+ -109:sc= -1.32 (180deg=-4.27!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= -0.128 (180deg=-0.803) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.111 (180deg=-0.642) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -159:sc= -0.0722 (180deg=-1.2!) USER MOD Single : B 14 SER OG : rot 82:sc= 1.06 USER MOD Single : B 15 THR OG1 : rot -174:sc= 0.969 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : B 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.154) USER MOD Single : B 19 TYR OH : rot 15:sc= -0.522 USER MOD Single : B 20 SER OG : rot 53:sc= 0.979 USER MOD Single : B 22 LYS NZ :NH3+ -154:sc= -5.24! (180deg=-6.66!) USER MOD Single : B 26 LYS NZ :NH3+ -123:sc= -1.29 (180deg=-3.62!) USER MOD Single : B 28 LYS NZ :NH3+ 138:sc= -1.69! (180deg=-6.82!) USER MOD Single : B 30 ASN : amide:sc= -2.04 K(o=-2,f=-3.2) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.333) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl -165:sc= 0 (180deg=-0.298) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN :FLIP amide:sc= -2.64 F(o=-3.4!,f=-2.6) USER MOD Single : B 64 SER OG : rot 180:sc= -0.11 USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : B 68 ASN : amide:sc= -1.43 K(o=-1.4,f=-8.5!) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.707 F(o=-2.7,f=-0.71) USER MOD Single : B 75 TYR OH : rot 108:sc= -1.4 USER MOD Single : B 81 CYS SG : rot -37:sc= -2.26! USER MOD Single : B 84 MET CE :methyl -151:sc= -0.307 (180deg=-1.99!) USER MOD Single : B 87 ASN : amide:sc= -2.97! C(o=-3!,f=-6.2!) USER MOD Single : B 96 LYS NZ :NH3+ -107:sc= -1.46 (180deg=-4.24!) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 100 LYS NZ :NH3+ 153:sc= -0.0982 (180deg=-0.824) USER MOD Single : B 101 LYS NZ :NH3+ 159:sc= -0.0927 (180deg=-0.735) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.094 -0.911 -19.512 1.00 0.00 N ATOM 2 CA MET A 1 76.501 -0.109 -20.700 1.00 0.00 C ATOM 3 C MET A 1 76.744 1.341 -20.271 1.00 0.00 C ATOM 4 O MET A 1 77.801 1.896 -20.496 1.00 0.00 O ATOM 5 CB MET A 1 75.387 -0.143 -21.749 1.00 0.00 C ATOM 6 CG MET A 1 75.898 0.462 -23.058 1.00 0.00 C ATOM 7 SD MET A 1 74.581 0.427 -24.299 1.00 0.00 S ATOM 8 CE MET A 1 75.447 1.383 -25.568 1.00 0.00 C ATOM 0 H1 MET A 1 75.928 -1.897 -19.799 1.00 0.00 H new ATOM 0 H2 MET A 1 76.849 -0.881 -18.798 1.00 0.00 H new ATOM 0 H3 MET A 1 75.220 -0.516 -19.109 1.00 0.00 H new ATOM 0 HA MET A 1 77.413 -0.527 -21.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.060 -1.170 -21.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.521 0.414 -21.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 76.228 1.488 -22.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 76.763 -0.097 -23.415 1.00 0.00 H new ATOM 0 HE1 MET A 1 74.807 1.488 -26.444 1.00 0.00 H new ATOM 0 HE2 MET A 1 75.691 2.370 -25.176 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.365 0.867 -25.849 1.00 0.00 H new ATOM 20 N ALA A 2 75.767 1.956 -19.652 1.00 0.00 N ATOM 21 CA ALA A 2 75.917 3.375 -19.196 1.00 0.00 C ATOM 22 C ALA A 2 76.086 3.410 -17.677 1.00 0.00 C ATOM 23 O ALA A 2 75.835 4.417 -17.044 1.00 0.00 O ATOM 24 CB ALA A 2 74.663 4.166 -19.575 1.00 0.00 C ATOM 0 H ALA A 2 74.863 1.533 -19.441 1.00 0.00 H new ATOM 0 HA ALA A 2 76.792 3.816 -19.674 1.00 0.00 H new ATOM 0 HB1 ALA A 2 74.770 5.199 -19.244 1.00 0.00 H new ATOM 0 HB2 ALA A 2 74.532 4.144 -20.657 1.00 0.00 H new ATOM 0 HB3 ALA A 2 73.792 3.720 -19.095 1.00 0.00 H new ATOM 30 N CYS A 3 76.499 2.316 -17.086 1.00 0.00 N ATOM 31 CA CYS A 3 76.673 2.270 -15.598 1.00 0.00 C ATOM 32 C CYS A 3 78.059 1.708 -15.247 1.00 0.00 C ATOM 33 O CYS A 3 78.178 0.566 -14.847 1.00 0.00 O ATOM 34 CB CYS A 3 75.606 1.348 -15.006 1.00 0.00 C ATOM 35 SG CYS A 3 75.631 -0.237 -15.881 1.00 0.00 S ATOM 0 H CYS A 3 76.725 1.448 -17.571 1.00 0.00 H new ATOM 0 HA CYS A 3 76.578 3.277 -15.193 1.00 0.00 H new ATOM 0 HB2 CYS A 3 75.792 1.193 -13.943 1.00 0.00 H new ATOM 0 HB3 CYS A 3 74.622 1.809 -15.093 1.00 0.00 H new ATOM 0 HG CYS A 3 76.834 -0.729 -15.854 1.00 0.00 H new ATOM 41 N PRO A 4 79.100 2.501 -15.374 1.00 0.00 N ATOM 42 CA PRO A 4 80.469 2.022 -15.033 1.00 0.00 C ATOM 43 C PRO A 4 80.584 1.655 -13.545 1.00 0.00 C ATOM 44 O PRO A 4 81.450 0.904 -13.145 1.00 0.00 O ATOM 45 CB PRO A 4 81.356 3.232 -15.400 1.00 0.00 C ATOM 46 CG PRO A 4 80.463 4.321 -16.032 1.00 0.00 C ATOM 47 CD PRO A 4 78.991 3.905 -15.862 1.00 0.00 C ATOM 0 HA PRO A 4 80.753 1.111 -15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.854 3.620 -14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 4 82.137 2.931 -16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.642 5.283 -15.552 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.703 4.442 -17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.470 4.542 -15.147 1.00 0.00 H new ATOM 0 HD3 PRO A 4 78.442 3.965 -16.802 1.00 0.00 H new ATOM 55 N LEU A 5 79.705 2.173 -12.733 1.00 0.00 N ATOM 56 CA LEU A 5 79.749 1.855 -11.279 1.00 0.00 C ATOM 57 C LEU A 5 79.584 0.349 -11.096 1.00 0.00 C ATOM 58 O LEU A 5 80.094 -0.233 -10.159 1.00 0.00 O ATOM 59 CB LEU A 5 78.619 2.594 -10.551 1.00 0.00 C ATOM 60 CG LEU A 5 78.575 2.189 -9.066 1.00 0.00 C ATOM 61 CD1 LEU A 5 79.900 2.550 -8.378 1.00 0.00 C ATOM 62 CD2 LEU A 5 77.423 2.927 -8.377 1.00 0.00 C ATOM 0 H LEU A 5 78.956 2.805 -13.015 1.00 0.00 H new ATOM 0 HA LEU A 5 80.704 2.174 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 5 78.768 3.671 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.664 2.366 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 5 78.422 1.112 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.856 2.259 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.719 2.023 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 5 80.066 3.625 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.387 2.644 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.580 4.003 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.481 2.660 -8.857 1.00 0.00 H new ATOM 74 N GLU A 6 78.858 -0.283 -11.971 1.00 0.00 N ATOM 75 CA GLU A 6 78.641 -1.746 -11.828 1.00 0.00 C ATOM 76 C GLU A 6 79.988 -2.467 -11.870 1.00 0.00 C ATOM 77 O GLU A 6 80.252 -3.347 -11.076 1.00 0.00 O ATOM 78 CB GLU A 6 77.768 -2.232 -12.987 1.00 0.00 C ATOM 79 CG GLU A 6 77.380 -3.694 -12.752 1.00 0.00 C ATOM 80 CD GLU A 6 76.506 -4.185 -13.907 1.00 0.00 C ATOM 81 OE1 GLU A 6 76.101 -3.361 -14.711 1.00 0.00 O ATOM 82 OE2 GLU A 6 76.247 -5.377 -13.963 1.00 0.00 O ATOM 0 H GLU A 6 78.406 0.149 -12.777 1.00 0.00 H new ATOM 0 HA GLU A 6 78.149 -1.956 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 6 76.873 -1.615 -13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.307 -2.134 -13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 6 78.276 -4.310 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 6 76.842 -3.791 -11.809 1.00 0.00 H new ATOM 89 N LYS A 7 80.849 -2.097 -12.775 1.00 0.00 N ATOM 90 CA LYS A 7 82.177 -2.760 -12.842 1.00 0.00 C ATOM 91 C LYS A 7 83.052 -2.242 -11.706 1.00 0.00 C ATOM 92 O LYS A 7 83.697 -2.999 -11.019 1.00 0.00 O ATOM 93 CB LYS A 7 82.845 -2.468 -14.185 1.00 0.00 C ATOM 94 CG LYS A 7 84.213 -3.161 -14.231 1.00 0.00 C ATOM 95 CD LYS A 7 84.808 -3.063 -15.644 1.00 0.00 C ATOM 96 CE LYS A 7 85.413 -1.673 -15.859 1.00 0.00 C ATOM 97 NZ LYS A 7 86.104 -1.635 -17.176 1.00 0.00 N ATOM 0 H LYS A 7 80.690 -1.366 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 7 82.048 -3.838 -12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.217 -2.823 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.964 -1.393 -14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.888 -2.698 -13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.109 -4.207 -13.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 85.573 -3.827 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.034 -3.251 -16.388 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.631 -0.914 -15.824 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.117 -1.443 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.516 -0.692 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.860 -2.349 -17.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.420 -1.837 -17.933 1.00 0.00 H new ATOM 111 N ALA A 8 83.061 -0.956 -11.483 1.00 0.00 N ATOM 112 CA ALA A 8 83.888 -0.425 -10.374 1.00 0.00 C ATOM 113 C ALA A 8 83.384 -1.070 -9.097 1.00 0.00 C ATOM 114 O ALA A 8 84.143 -1.470 -8.240 1.00 0.00 O ATOM 115 CB ALA A 8 83.771 1.091 -10.298 1.00 0.00 C ATOM 0 H ALA A 8 82.537 -0.261 -12.016 1.00 0.00 H new ATOM 0 HA ALA A 8 84.942 -0.656 -10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.385 1.463 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 84.113 1.530 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.731 1.367 -10.127 1.00 0.00 H new ATOM 121 N LEU A 9 82.102 -1.245 -8.995 1.00 0.00 N ATOM 122 CA LEU A 9 81.559 -1.944 -7.812 1.00 0.00 C ATOM 123 C LEU A 9 82.194 -3.321 -7.842 1.00 0.00 C ATOM 124 O LEU A 9 82.716 -3.816 -6.863 1.00 0.00 O ATOM 125 CB LEU A 9 80.037 -2.056 -7.964 1.00 0.00 C ATOM 126 CG LEU A 9 79.415 -2.963 -6.886 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.717 -4.460 -7.136 1.00 0.00 C ATOM 128 CD2 LEU A 9 79.917 -2.542 -5.495 1.00 0.00 C ATOM 0 H LEU A 9 81.411 -0.935 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 9 81.769 -1.427 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.592 -1.063 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.799 -2.451 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 9 78.333 -2.841 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.258 -5.060 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 9 79.311 -4.757 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 9 80.795 -4.619 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 9 79.473 -3.188 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 81.003 -2.632 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 9 79.632 -1.508 -5.303 1.00 0.00 H new ATOM 140 N ASP A 10 82.169 -3.925 -8.994 1.00 0.00 N ATOM 141 CA ASP A 10 82.792 -5.265 -9.145 1.00 0.00 C ATOM 142 C ASP A 10 84.293 -5.156 -8.845 1.00 0.00 C ATOM 143 O ASP A 10 84.884 -6.060 -8.293 1.00 0.00 O ATOM 144 CB ASP A 10 82.577 -5.791 -10.569 1.00 0.00 C ATOM 145 CG ASP A 10 82.915 -7.283 -10.615 1.00 0.00 C ATOM 146 OD1 ASP A 10 83.488 -7.769 -9.653 1.00 0.00 O ATOM 147 OD2 ASP A 10 82.596 -7.913 -11.610 1.00 0.00 O ATOM 0 H ASP A 10 81.743 -3.547 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 10 82.329 -5.962 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 10 81.543 -5.631 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.206 -5.242 -11.270 1.00 0.00 H new ATOM 152 N VAL A 11 84.921 -4.059 -9.200 1.00 0.00 N ATOM 153 CA VAL A 11 86.383 -3.930 -8.916 1.00 0.00 C ATOM 154 C VAL A 11 86.597 -4.036 -7.403 1.00 0.00 C ATOM 155 O VAL A 11 87.531 -4.660 -6.944 1.00 0.00 O ATOM 156 CB VAL A 11 86.911 -2.573 -9.413 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.349 -2.359 -8.926 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.891 -2.535 -10.945 1.00 0.00 C ATOM 0 H VAL A 11 84.491 -3.260 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 11 86.923 -4.723 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 11 86.271 -1.784 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.714 -1.396 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.370 -2.374 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 11 88.986 -3.154 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.266 -1.571 -11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.523 -3.332 -11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.870 -2.675 -11.299 1.00 0.00 H new ATOM 168 N MET A 12 85.730 -3.442 -6.622 1.00 0.00 N ATOM 169 CA MET A 12 85.894 -3.528 -5.141 1.00 0.00 C ATOM 170 C MET A 12 85.836 -5.002 -4.734 1.00 0.00 C ATOM 171 O MET A 12 86.615 -5.470 -3.931 1.00 0.00 O ATOM 172 CB MET A 12 84.746 -2.777 -4.445 1.00 0.00 C ATOM 173 CG MET A 12 85.040 -2.661 -2.941 1.00 0.00 C ATOM 174 SD MET A 12 83.488 -2.442 -2.036 1.00 0.00 S ATOM 175 CE MET A 12 82.833 -1.093 -3.040 1.00 0.00 C ATOM 0 H MET A 12 84.923 -2.906 -6.943 1.00 0.00 H new ATOM 0 HA MET A 12 86.846 -3.084 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.631 -1.784 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.805 -3.305 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.554 -3.556 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.704 -1.817 -2.754 1.00 0.00 H new ATOM 0 HE1 MET A 12 82.092 -0.538 -2.465 1.00 0.00 H new ATOM 0 HE2 MET A 12 83.645 -0.425 -3.326 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.366 -1.500 -3.937 1.00 0.00 H new ATOM 185 N VAL A 13 84.903 -5.725 -5.279 1.00 0.00 N ATOM 186 CA VAL A 13 84.770 -7.171 -4.931 1.00 0.00 C ATOM 187 C VAL A 13 85.802 -8.016 -5.688 1.00 0.00 C ATOM 188 O VAL A 13 86.403 -8.915 -5.133 1.00 0.00 O ATOM 189 CB VAL A 13 83.370 -7.649 -5.308 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.225 -9.132 -4.957 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.326 -6.830 -4.540 1.00 0.00 C ATOM 0 H VAL A 13 84.221 -5.379 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 13 84.941 -7.286 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 13 83.215 -7.516 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.225 -9.474 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.967 -9.710 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.379 -9.269 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.326 -7.171 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.478 -6.960 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.431 -5.776 -4.796 1.00 0.00 H new ATOM 201 N SER A 14 85.985 -7.764 -6.956 1.00 0.00 N ATOM 202 CA SER A 14 86.948 -8.588 -7.745 1.00 0.00 C ATOM 203 C SER A 14 88.353 -8.482 -7.159 1.00 0.00 C ATOM 204 O SER A 14 89.062 -9.463 -7.053 1.00 0.00 O ATOM 205 CB SER A 14 86.971 -8.099 -9.192 1.00 0.00 C ATOM 206 OG SER A 14 85.741 -8.433 -9.818 1.00 0.00 O ATOM 0 H SER A 14 85.512 -7.027 -7.479 1.00 0.00 H new ATOM 0 HA SER A 14 86.627 -9.629 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.127 -7.021 -9.221 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.802 -8.556 -9.730 1.00 0.00 H new ATOM 0 HG SER A 14 85.007 -7.968 -9.365 1.00 0.00 H new ATOM 212 N THR A 15 88.767 -7.312 -6.771 1.00 0.00 N ATOM 213 CA THR A 15 90.130 -7.186 -6.192 1.00 0.00 C ATOM 214 C THR A 15 90.185 -7.984 -4.885 1.00 0.00 C ATOM 215 O THR A 15 91.151 -8.649 -4.587 1.00 0.00 O ATOM 216 CB THR A 15 90.439 -5.699 -5.942 1.00 0.00 C ATOM 217 OG1 THR A 15 91.845 -5.504 -5.939 1.00 0.00 O ATOM 218 CG2 THR A 15 89.857 -5.229 -4.603 1.00 0.00 C ATOM 0 H THR A 15 88.229 -6.447 -6.828 1.00 0.00 H new ATOM 0 HA THR A 15 90.877 -7.582 -6.879 1.00 0.00 H new ATOM 0 HB THR A 15 89.980 -5.115 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.047 -4.585 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.091 -4.175 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.775 -5.363 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.290 -5.815 -3.792 1.00 0.00 H new ATOM 226 N PHE A 16 89.135 -7.906 -4.120 1.00 0.00 N ATOM 227 CA PHE A 16 89.068 -8.625 -2.810 1.00 0.00 C ATOM 228 C PHE A 16 89.214 -10.134 -3.013 1.00 0.00 C ATOM 229 O PHE A 16 89.853 -10.814 -2.236 1.00 0.00 O ATOM 230 CB PHE A 16 87.700 -8.343 -2.181 1.00 0.00 C ATOM 231 CG PHE A 16 87.577 -9.048 -0.849 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.232 -10.404 -0.799 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.800 -8.340 0.338 1.00 0.00 C ATOM 234 CE1 PHE A 16 87.111 -11.051 0.437 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.676 -8.985 1.574 1.00 0.00 C ATOM 236 CZ PHE A 16 87.331 -10.341 1.623 1.00 0.00 C ATOM 0 H PHE A 16 88.301 -7.364 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 16 89.877 -8.279 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.570 -7.269 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 16 86.908 -8.678 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.059 -10.951 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 16 88.068 -7.295 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 16 86.848 -12.098 0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.846 -8.437 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 16 87.235 -10.839 2.576 1.00 0.00 H new ATOM 246 N HIS A 17 88.612 -10.664 -4.036 1.00 0.00 N ATOM 247 CA HIS A 17 88.696 -12.132 -4.274 1.00 0.00 C ATOM 248 C HIS A 17 90.111 -12.511 -4.694 1.00 0.00 C ATOM 249 O HIS A 17 90.551 -13.625 -4.477 1.00 0.00 O ATOM 250 CB HIS A 17 87.719 -12.536 -5.378 1.00 0.00 C ATOM 251 CG HIS A 17 87.576 -14.034 -5.388 1.00 0.00 C ATOM 252 ND1 HIS A 17 86.910 -14.720 -4.381 1.00 0.00 N ATOM 253 CD2 HIS A 17 88.016 -14.993 -6.267 1.00 0.00 C ATOM 254 CE1 HIS A 17 86.969 -16.032 -4.676 1.00 0.00 C ATOM 255 NE2 HIS A 17 87.632 -16.249 -5.812 1.00 0.00 N ATOM 0 H HIS A 17 88.063 -10.144 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 17 88.439 -12.652 -3.351 1.00 0.00 H new ATOM 0 HB2 HIS A 17 86.749 -12.067 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 17 88.080 -12.187 -6.345 1.00 0.00 H new ATOM 0 HD2 HIS A 17 88.574 -14.801 -7.172 1.00 0.00 H new ATOM 0 HE1 HIS A 17 86.534 -16.811 -4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 17 87.819 -17.149 -6.255 1.00 0.00 H new ATOM 264 N LYS A 18 90.834 -11.613 -5.297 1.00 0.00 N ATOM 265 CA LYS A 18 92.213 -11.966 -5.714 1.00 0.00 C ATOM 266 C LYS A 18 92.981 -12.349 -4.457 1.00 0.00 C ATOM 267 O LYS A 18 93.724 -13.310 -4.437 1.00 0.00 O ATOM 268 CB LYS A 18 92.879 -10.762 -6.392 1.00 0.00 C ATOM 269 CG LYS A 18 92.173 -10.446 -7.720 1.00 0.00 C ATOM 270 CD LYS A 18 92.635 -11.416 -8.819 1.00 0.00 C ATOM 271 CE LYS A 18 92.066 -10.962 -10.163 1.00 0.00 C ATOM 272 NZ LYS A 18 90.589 -11.158 -10.165 1.00 0.00 N ATOM 0 H LYS A 18 90.534 -10.663 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 18 92.203 -12.791 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 92.837 -9.895 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.933 -10.974 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 18 91.093 -10.520 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 18 92.388 -9.420 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 93.724 -11.443 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 92.300 -12.428 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 18 92.305 -9.913 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 18 92.521 -11.531 -10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 90.225 -11.046 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 90.365 -12.113 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 90.144 -10.452 -9.544 1.00 0.00 H new ATOM 286 N TYR A 19 92.766 -11.636 -3.388 1.00 0.00 N ATOM 287 CA TYR A 19 93.444 -12.005 -2.116 1.00 0.00 C ATOM 288 C TYR A 19 92.822 -13.308 -1.628 1.00 0.00 C ATOM 289 O TYR A 19 93.471 -14.138 -1.029 1.00 0.00 O ATOM 290 CB TYR A 19 93.244 -10.896 -1.079 1.00 0.00 C ATOM 291 CG TYR A 19 94.013 -9.680 -1.530 1.00 0.00 C ATOM 292 CD1 TYR A 19 93.434 -8.826 -2.462 1.00 0.00 C ATOM 293 CD2 TYR A 19 95.297 -9.416 -1.037 1.00 0.00 C ATOM 294 CE1 TYR A 19 94.127 -7.702 -2.918 1.00 0.00 C ATOM 295 CE2 TYR A 19 95.999 -8.286 -1.484 1.00 0.00 C ATOM 296 CZ TYR A 19 95.411 -7.430 -2.431 1.00 0.00 C ATOM 297 OH TYR A 19 96.093 -6.319 -2.882 1.00 0.00 O ATOM 0 H TYR A 19 92.155 -10.820 -3.340 1.00 0.00 H new ATOM 0 HA TYR A 19 94.516 -12.131 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.185 -10.659 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.593 -11.224 -0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 19 92.442 -9.033 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 19 95.746 -10.081 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 19 93.673 -7.044 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 19 96.987 -8.075 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 19 96.929 -6.600 -3.309 1.00 0.00 H new ATOM 307 N SER A 20 91.555 -13.491 -1.880 1.00 0.00 N ATOM 308 CA SER A 20 90.876 -14.737 -1.433 1.00 0.00 C ATOM 309 C SER A 20 91.179 -14.969 0.044 1.00 0.00 C ATOM 310 O SER A 20 90.887 -16.013 0.591 1.00 0.00 O ATOM 311 CB SER A 20 91.393 -15.924 -2.246 1.00 0.00 C ATOM 312 OG SER A 20 90.896 -15.837 -3.575 1.00 0.00 O ATOM 0 H SER A 20 90.960 -12.829 -2.378 1.00 0.00 H new ATOM 0 HA SER A 20 89.800 -14.638 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 20 92.483 -15.927 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 20 91.074 -16.860 -1.787 1.00 0.00 H new ATOM 0 HG SER A 20 90.486 -14.958 -3.714 1.00 0.00 H new ATOM 318 N GLY A 21 91.770 -14.005 0.694 1.00 0.00 N ATOM 319 CA GLY A 21 92.100 -14.176 2.137 1.00 0.00 C ATOM 320 C GLY A 21 93.237 -15.188 2.275 1.00 0.00 C ATOM 321 O GLY A 21 93.052 -16.293 2.746 1.00 0.00 O ATOM 0 H GLY A 21 92.038 -13.108 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 92.393 -13.220 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 91.223 -14.520 2.685 1.00 0.00 H new ATOM 325 N LYS A 22 94.415 -14.816 1.858 1.00 0.00 N ATOM 326 CA LYS A 22 95.578 -15.743 1.948 1.00 0.00 C ATOM 327 C LYS A 22 95.814 -16.119 3.412 1.00 0.00 C ATOM 328 O LYS A 22 96.110 -17.256 3.729 1.00 0.00 O ATOM 329 CB LYS A 22 96.814 -15.037 1.378 1.00 0.00 C ATOM 330 CG LYS A 22 96.649 -14.893 -0.146 1.00 0.00 C ATOM 331 CD LYS A 22 97.596 -13.820 -0.707 1.00 0.00 C ATOM 332 CE LYS A 22 97.275 -12.435 -0.106 1.00 0.00 C ATOM 333 NZ LYS A 22 95.849 -12.384 0.330 1.00 0.00 N ATOM 0 H LYS A 22 94.624 -13.902 1.456 1.00 0.00 H new ATOM 0 HA LYS A 22 95.383 -16.651 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.933 -14.056 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.713 -15.608 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 22 96.851 -15.849 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 95.617 -14.630 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 22 98.629 -14.088 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 22 97.505 -13.780 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 22 97.930 -12.237 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 22 97.466 -11.656 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 95.536 -11.393 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 95.259 -12.901 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 95.757 -12.822 1.269 1.00 0.00 H new ATOM 347 N GLU A 23 95.676 -15.174 4.308 1.00 0.00 N ATOM 348 CA GLU A 23 95.882 -15.465 5.764 1.00 0.00 C ATOM 349 C GLU A 23 94.533 -15.546 6.472 1.00 0.00 C ATOM 350 O GLU A 23 93.644 -14.754 6.232 1.00 0.00 O ATOM 351 CB GLU A 23 96.710 -14.346 6.396 1.00 0.00 C ATOM 352 CG GLU A 23 98.140 -14.422 5.875 1.00 0.00 C ATOM 353 CD GLU A 23 98.966 -13.282 6.472 1.00 0.00 C ATOM 354 OE1 GLU A 23 98.453 -12.600 7.343 1.00 0.00 O ATOM 355 OE2 GLU A 23 100.099 -13.113 6.052 1.00 0.00 O ATOM 0 H GLU A 23 95.428 -14.208 4.094 1.00 0.00 H new ATOM 0 HA GLU A 23 96.405 -16.416 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 23 96.275 -13.376 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 96.701 -14.440 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 23 98.583 -15.382 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 23 98.145 -14.357 4.787 1.00 0.00 H new ATOM 362 N GLY A 24 94.382 -16.495 7.353 1.00 0.00 N ATOM 363 CA GLY A 24 93.098 -16.629 8.090 1.00 0.00 C ATOM 364 C GLY A 24 92.046 -17.268 7.184 1.00 0.00 C ATOM 365 O GLY A 24 92.367 -17.921 6.210 1.00 0.00 O ATOM 0 H GLY A 24 95.094 -17.184 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 24 93.242 -17.239 8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 24 92.756 -15.650 8.425 1.00 0.00 H new ATOM 369 N ASP A 25 90.788 -17.079 7.486 1.00 0.00 N ATOM 370 CA ASP A 25 89.727 -17.673 6.628 1.00 0.00 C ATOM 371 C ASP A 25 89.877 -17.117 5.222 1.00 0.00 C ATOM 372 O ASP A 25 90.148 -15.951 5.026 1.00 0.00 O ATOM 373 CB ASP A 25 88.347 -17.309 7.186 1.00 0.00 C ATOM 374 CG ASP A 25 88.069 -18.136 8.443 1.00 0.00 C ATOM 375 OD1 ASP A 25 88.646 -19.204 8.567 1.00 0.00 O ATOM 376 OD2 ASP A 25 87.283 -17.688 9.261 1.00 0.00 O ATOM 0 H ASP A 25 90.453 -16.542 8.286 1.00 0.00 H new ATOM 0 HA ASP A 25 89.823 -18.759 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 25 88.307 -16.246 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 25 87.579 -17.498 6.436 1.00 0.00 H new ATOM 381 N LYS A 26 89.724 -17.952 4.238 1.00 0.00 N ATOM 382 CA LYS A 26 89.881 -17.482 2.842 1.00 0.00 C ATOM 383 C LYS A 26 88.614 -16.753 2.417 1.00 0.00 C ATOM 384 O LYS A 26 88.578 -16.085 1.403 1.00 0.00 O ATOM 385 CB LYS A 26 90.120 -18.683 1.929 1.00 0.00 C ATOM 386 CG LYS A 26 91.499 -19.276 2.231 1.00 0.00 C ATOM 387 CD LYS A 26 91.728 -20.536 1.386 1.00 0.00 C ATOM 388 CE LYS A 26 91.798 -20.175 -0.106 1.00 0.00 C ATOM 389 NZ LYS A 26 90.419 -20.118 -0.669 1.00 0.00 N ATOM 0 H LYS A 26 89.497 -18.941 4.342 1.00 0.00 H new ATOM 0 HA LYS A 26 90.731 -16.803 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 26 89.345 -19.434 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 26 90.062 -18.378 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 92.274 -18.540 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 26 91.574 -19.521 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 26 92.653 -21.024 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 26 90.921 -21.248 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 26 92.295 -19.214 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 26 92.391 -20.915 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 90.348 -20.765 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 89.734 -20.401 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 90.211 -19.148 -0.981 1.00 0.00 H new ATOM 403 N PHE A 27 87.573 -16.872 3.191 1.00 0.00 N ATOM 404 CA PHE A 27 86.300 -16.179 2.832 1.00 0.00 C ATOM 405 C PHE A 27 86.276 -14.805 3.507 1.00 0.00 C ATOM 406 O PHE A 27 85.345 -14.041 3.349 1.00 0.00 O ATOM 407 CB PHE A 27 85.119 -17.017 3.326 1.00 0.00 C ATOM 408 CG PHE A 27 85.179 -18.386 2.687 1.00 0.00 C ATOM 409 CD1 PHE A 27 84.551 -18.617 1.458 1.00 0.00 C ATOM 410 CD2 PHE A 27 85.869 -19.423 3.326 1.00 0.00 C ATOM 411 CE1 PHE A 27 84.612 -19.887 0.868 1.00 0.00 C ATOM 412 CE2 PHE A 27 85.930 -20.692 2.737 1.00 0.00 C ATOM 413 CZ PHE A 27 85.301 -20.924 1.508 1.00 0.00 C ATOM 0 H PHE A 27 87.545 -17.416 4.053 1.00 0.00 H new ATOM 0 HA PHE A 27 86.230 -16.056 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 27 85.151 -17.108 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 27 84.179 -16.526 3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 27 84.019 -17.817 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 27 86.355 -19.244 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 27 84.127 -20.066 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 27 86.462 -21.492 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 27 85.347 -21.903 1.054 1.00 0.00 H new ATOM 423 N LYS A 28 87.297 -14.491 4.269 1.00 0.00 N ATOM 424 CA LYS A 28 87.350 -13.169 4.978 1.00 0.00 C ATOM 425 C LYS A 28 88.788 -12.637 4.946 1.00 0.00 C ATOM 426 O LYS A 28 89.698 -13.331 4.538 1.00 0.00 O ATOM 427 CB LYS A 28 86.924 -13.346 6.441 1.00 0.00 C ATOM 428 CG LYS A 28 85.507 -13.934 6.545 1.00 0.00 C ATOM 429 CD LYS A 28 84.450 -12.902 6.128 1.00 0.00 C ATOM 430 CE LYS A 28 83.057 -13.480 6.383 1.00 0.00 C ATOM 431 NZ LYS A 28 82.027 -12.467 6.024 1.00 0.00 N ATOM 0 H LYS A 28 88.101 -15.096 4.432 1.00 0.00 H new ATOM 0 HA LYS A 28 86.677 -12.470 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 28 87.630 -14.002 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 28 86.958 -12.383 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 28 85.428 -14.817 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 28 85.319 -14.259 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 28 84.583 -11.979 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 84.565 -12.651 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 28 82.913 -14.385 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 28 82.955 -13.763 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 81.238 -12.933 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 81.675 -12.009 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 82.448 -11.750 5.399 1.00 0.00 H new ATOM 445 N LEU A 29 89.000 -11.411 5.382 1.00 0.00 N ATOM 446 CA LEU A 29 90.388 -10.824 5.388 1.00 0.00 C ATOM 447 C LEU A 29 90.768 -10.452 6.829 1.00 0.00 C ATOM 448 O LEU A 29 89.930 -10.377 7.705 1.00 0.00 O ATOM 449 CB LEU A 29 90.432 -9.565 4.479 1.00 0.00 C ATOM 450 CG LEU A 29 91.307 -9.806 3.238 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.606 -10.787 2.284 1.00 0.00 C ATOM 452 CD2 LEU A 29 91.549 -8.463 2.529 1.00 0.00 C ATOM 0 H LEU A 29 88.271 -10.791 5.734 1.00 0.00 H new ATOM 0 HA LEU A 29 91.099 -11.555 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 89.421 -9.302 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 90.823 -8.719 5.044 1.00 0.00 H new ATOM 0 HG LEU A 29 92.261 -10.237 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 29 91.232 -10.952 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 29 90.439 -11.735 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 29 89.648 -10.370 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 29 92.169 -8.624 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 29 90.594 -8.033 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 29 92.056 -7.779 3.209 1.00 0.00 H new ATOM 464 N ASN A 30 92.036 -10.234 7.069 1.00 0.00 N ATOM 465 CA ASN A 30 92.511 -9.879 8.441 1.00 0.00 C ATOM 466 C ASN A 30 92.822 -8.373 8.512 1.00 0.00 C ATOM 467 O ASN A 30 93.369 -7.793 7.600 1.00 0.00 O ATOM 468 CB ASN A 30 93.776 -10.691 8.738 1.00 0.00 C ATOM 469 CG ASN A 30 94.014 -10.759 10.245 1.00 0.00 C ATOM 470 OD1 ASN A 30 93.091 -10.954 11.012 1.00 0.00 O ATOM 471 ND2 ASN A 30 95.223 -10.606 10.707 1.00 0.00 N ATOM 0 H ASN A 30 92.771 -10.288 6.364 1.00 0.00 H new ATOM 0 HA ASN A 30 91.740 -10.108 9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 30 93.675 -11.698 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.635 -10.234 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 30 95.394 -10.650 11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 30 95.998 -10.442 10.064 1.00 0.00 H new ATOM 478 N LYS A 31 92.460 -7.749 9.595 1.00 0.00 N ATOM 479 CA LYS A 31 92.698 -6.286 9.764 1.00 0.00 C ATOM 480 C LYS A 31 94.091 -5.910 9.282 1.00 0.00 C ATOM 481 O LYS A 31 94.302 -4.860 8.733 1.00 0.00 O ATOM 482 CB LYS A 31 92.542 -5.899 11.247 1.00 0.00 C ATOM 483 CG LYS A 31 93.667 -6.484 12.122 1.00 0.00 C ATOM 484 CD LYS A 31 93.609 -8.017 12.115 1.00 0.00 C ATOM 485 CE LYS A 31 94.338 -8.576 13.345 1.00 0.00 C ATOM 486 NZ LYS A 31 95.794 -8.276 13.238 1.00 0.00 N ATOM 0 H LYS A 31 92.000 -8.198 10.387 1.00 0.00 H new ATOM 0 HA LYS A 31 91.964 -5.745 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 31 92.540 -4.813 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 91.578 -6.252 11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 31 94.636 -6.149 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 31 93.571 -6.115 13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 31 92.571 -8.350 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 31 94.067 -8.402 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 93.931 -8.134 14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 31 94.182 -9.652 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 96.342 -9.075 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 96.045 -8.125 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 96.013 -7.418 13.783 1.00 0.00 H new ATOM 500 N SER A 32 95.046 -6.749 9.464 1.00 0.00 N ATOM 501 CA SER A 32 96.399 -6.394 8.994 1.00 0.00 C ATOM 502 C SER A 32 96.315 -6.178 7.495 1.00 0.00 C ATOM 503 O SER A 32 96.914 -5.275 6.946 1.00 0.00 O ATOM 504 CB SER A 32 97.395 -7.501 9.301 1.00 0.00 C ATOM 505 OG SER A 32 97.605 -7.571 10.706 1.00 0.00 O ATOM 0 H SER A 32 94.956 -7.660 9.914 1.00 0.00 H new ATOM 0 HA SER A 32 96.744 -5.494 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 32 97.021 -8.455 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.338 -7.308 8.790 1.00 0.00 H new ATOM 0 HG SER A 32 98.246 -8.285 10.906 1.00 0.00 H new ATOM 511 N GLU A 33 95.547 -6.995 6.829 1.00 0.00 N ATOM 512 CA GLU A 33 95.394 -6.824 5.366 1.00 0.00 C ATOM 513 C GLU A 33 94.868 -5.432 5.132 1.00 0.00 C ATOM 514 O GLU A 33 95.083 -4.853 4.093 1.00 0.00 O ATOM 515 CB GLU A 33 94.421 -7.864 4.802 1.00 0.00 C ATOM 516 CG GLU A 33 94.960 -9.271 5.074 1.00 0.00 C ATOM 517 CD GLU A 33 96.269 -9.478 4.309 1.00 0.00 C ATOM 518 OE1 GLU A 33 96.244 -9.378 3.094 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.273 -9.737 4.953 1.00 0.00 O ATOM 0 H GLU A 33 95.023 -7.769 7.237 1.00 0.00 H new ATOM 0 HA GLU A 33 96.350 -6.965 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.439 -7.745 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.293 -7.713 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.127 -9.407 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.227 -10.017 4.768 1.00 0.00 H new ATOM 526 N LEU A 34 94.211 -4.859 6.097 1.00 0.00 N ATOM 527 CA LEU A 34 93.735 -3.471 5.874 1.00 0.00 C ATOM 528 C LEU A 34 94.961 -2.616 5.610 1.00 0.00 C ATOM 529 O LEU A 34 94.958 -1.767 4.747 1.00 0.00 O ATOM 530 CB LEU A 34 92.965 -2.948 7.107 1.00 0.00 C ATOM 531 CG LEU A 34 92.452 -1.496 6.927 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.589 -0.452 7.142 1.00 0.00 C ATOM 533 CD2 LEU A 34 91.838 -1.320 5.538 1.00 0.00 C ATOM 0 H LEU A 34 93.988 -5.274 7.002 1.00 0.00 H new ATOM 0 HA LEU A 34 93.048 -3.435 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.118 -3.605 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.615 -2.993 7.981 1.00 0.00 H new ATOM 0 HG LEU A 34 91.689 -1.320 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 34 93.190 0.553 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 34 93.988 -0.552 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 94.385 -0.626 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.482 -0.296 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.591 -1.528 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 91.003 -2.010 5.419 1.00 0.00 H new ATOM 545 N LYS A 35 96.025 -2.850 6.330 1.00 0.00 N ATOM 546 CA LYS A 35 97.251 -2.051 6.077 1.00 0.00 C ATOM 547 C LYS A 35 97.914 -2.521 4.783 1.00 0.00 C ATOM 548 O LYS A 35 98.229 -1.731 3.915 1.00 0.00 O ATOM 549 CB LYS A 35 98.227 -2.226 7.243 1.00 0.00 C ATOM 550 CG LYS A 35 99.439 -1.318 7.044 1.00 0.00 C ATOM 551 CD LYS A 35 100.407 -1.511 8.207 1.00 0.00 C ATOM 552 CE LYS A 35 101.576 -0.540 8.059 1.00 0.00 C ATOM 553 NZ LYS A 35 102.372 -0.896 6.851 1.00 0.00 N ATOM 0 H LYS A 35 96.096 -3.549 7.070 1.00 0.00 H new ATOM 0 HA LYS A 35 96.981 -0.999 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.731 -1.985 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.547 -3.266 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.933 -1.553 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.123 -0.276 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 35 99.895 -1.339 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.772 -2.538 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 101.205 0.481 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 35 102.207 -0.577 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.299 -0.426 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.508 -1.926 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 101.866 -0.585 5.998 1.00 0.00 H new ATOM 567 N GLU A 36 98.138 -3.800 4.644 1.00 0.00 N ATOM 568 CA GLU A 36 98.792 -4.301 3.402 1.00 0.00 C ATOM 569 C GLU A 36 97.892 -4.071 2.199 1.00 0.00 C ATOM 570 O GLU A 36 98.358 -3.726 1.133 1.00 0.00 O ATOM 571 CB GLU A 36 99.098 -5.802 3.530 1.00 0.00 C ATOM 572 CG GLU A 36 99.574 -6.371 2.183 1.00 0.00 C ATOM 573 CD GLU A 36 100.084 -7.800 2.378 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.036 -8.279 3.498 1.00 0.00 O ATOM 575 OE2 GLU A 36 100.514 -8.393 1.401 1.00 0.00 O ATOM 0 H GLU A 36 97.898 -4.515 5.331 1.00 0.00 H new ATOM 0 HA GLU A 36 99.724 -3.753 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.864 -5.960 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.206 -6.334 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 36 98.755 -6.362 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.366 -5.745 1.772 1.00 0.00 H new ATOM 582 N LEU A 37 96.615 -4.272 2.331 1.00 0.00 N ATOM 583 CA LEU A 37 95.746 -4.072 1.151 1.00 0.00 C ATOM 584 C LEU A 37 95.737 -2.600 0.790 1.00 0.00 C ATOM 585 O LEU A 37 95.762 -2.234 -0.369 1.00 0.00 O ATOM 586 CB LEU A 37 94.320 -4.547 1.470 1.00 0.00 C ATOM 587 CG LEU A 37 93.387 -4.353 0.263 1.00 0.00 C ATOM 588 CD1 LEU A 37 93.898 -5.165 -0.933 1.00 0.00 C ATOM 589 CD2 LEU A 37 91.974 -4.837 0.635 1.00 0.00 C ATOM 0 H LEU A 37 96.144 -4.561 3.189 1.00 0.00 H new ATOM 0 HA LEU A 37 96.126 -4.650 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.339 -5.599 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 93.932 -3.994 2.325 1.00 0.00 H new ATOM 0 HG LEU A 37 93.363 -3.297 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 93.230 -5.021 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 37 94.901 -4.830 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 37 93.927 -6.222 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 37 91.307 -4.702 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.010 -5.893 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 37 91.603 -4.259 1.481 1.00 0.00 H new ATOM 601 N LEU A 38 95.698 -1.748 1.767 1.00 0.00 N ATOM 602 CA LEU A 38 95.684 -0.285 1.448 1.00 0.00 C ATOM 603 C LEU A 38 97.091 0.174 1.102 1.00 0.00 C ATOM 604 O LEU A 38 97.297 0.963 0.202 1.00 0.00 O ATOM 605 CB LEU A 38 95.139 0.528 2.638 1.00 0.00 C ATOM 606 CG LEU A 38 93.592 0.492 2.691 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.006 1.558 1.755 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.045 -0.891 2.292 1.00 0.00 C ATOM 0 H LEU A 38 95.675 -1.986 2.759 1.00 0.00 H new ATOM 0 HA LEU A 38 95.028 -0.119 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 38 95.545 0.130 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.477 1.561 2.559 1.00 0.00 H new ATOM 0 HG LEU A 38 93.294 0.697 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 38 91.917 1.523 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 38 93.351 2.544 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.333 1.364 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 38 91.956 -0.879 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.360 -1.128 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.431 -1.646 2.977 1.00 0.00 H new ATOM 620 N THR A 39 98.056 -0.307 1.814 1.00 0.00 N ATOM 621 CA THR A 39 99.449 0.108 1.542 1.00 0.00 C ATOM 622 C THR A 39 99.864 -0.286 0.122 1.00 0.00 C ATOM 623 O THR A 39 100.557 0.456 -0.546 1.00 0.00 O ATOM 624 CB THR A 39 100.385 -0.551 2.554 1.00 0.00 C ATOM 625 OG1 THR A 39 100.015 -0.145 3.865 1.00 0.00 O ATOM 626 CG2 THR A 39 101.818 -0.110 2.271 1.00 0.00 C ATOM 0 H THR A 39 97.941 -0.974 2.577 1.00 0.00 H new ATOM 0 HA THR A 39 99.514 1.192 1.633 1.00 0.00 H new ATOM 0 HB THR A 39 100.314 -1.636 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 39 99.107 -0.458 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 39 102.491 -0.577 2.990 1.00 0.00 H new ATOM 0 HG22 THR A 39 102.099 -0.412 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 101.889 0.974 2.359 1.00 0.00 H new ATOM 634 N ARG A 40 99.483 -1.452 -0.353 1.00 0.00 N ATOM 635 CA ARG A 40 99.915 -1.854 -1.730 1.00 0.00 C ATOM 636 C ARG A 40 98.887 -1.408 -2.771 1.00 0.00 C ATOM 637 O ARG A 40 99.225 -1.140 -3.907 1.00 0.00 O ATOM 638 CB ARG A 40 100.099 -3.374 -1.779 1.00 0.00 C ATOM 639 CG ARG A 40 98.743 -4.079 -1.885 1.00 0.00 C ATOM 640 CD ARG A 40 98.923 -5.564 -1.578 1.00 0.00 C ATOM 641 NE ARG A 40 99.745 -6.206 -2.643 1.00 0.00 N ATOM 642 CZ ARG A 40 100.293 -7.369 -2.424 1.00 0.00 C ATOM 643 NH1 ARG A 40 100.114 -7.964 -1.275 1.00 0.00 N ATOM 644 NH2 ARG A 40 101.020 -7.936 -3.347 1.00 0.00 N ATOM 0 H ARG A 40 98.903 -2.129 0.143 1.00 0.00 H new ATOM 0 HA ARG A 40 100.862 -1.367 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 40 100.722 -3.643 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 40 100.621 -3.711 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 40 98.033 -3.635 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 40 98.330 -3.950 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 99.406 -5.688 -0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 40 97.950 -6.052 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 40 99.878 -5.738 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 40 99.547 -7.519 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 40 100.541 -8.874 -1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 40 101.161 -7.470 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 40 101.447 -8.846 -3.173 1.00 0.00 H new ATOM 658 N GLU A 41 97.636 -1.333 -2.398 1.00 0.00 N ATOM 659 CA GLU A 41 96.583 -0.910 -3.377 1.00 0.00 C ATOM 660 C GLU A 41 96.274 0.560 -3.150 1.00 0.00 C ATOM 661 O GLU A 41 95.450 1.150 -3.820 1.00 0.00 O ATOM 662 CB GLU A 41 95.323 -1.764 -3.168 1.00 0.00 C ATOM 663 CG GLU A 41 94.444 -1.728 -4.424 1.00 0.00 C ATOM 664 CD GLU A 41 93.312 -2.747 -4.276 1.00 0.00 C ATOM 665 OE1 GLU A 41 93.261 -3.403 -3.249 1.00 0.00 O ATOM 666 OE2 GLU A 41 92.517 -2.858 -5.194 1.00 0.00 O ATOM 0 H GLU A 41 97.295 -1.545 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 41 96.933 -1.051 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 41 95.605 -2.792 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 94.761 -1.392 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 94.033 -0.728 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 41 95.041 -1.956 -5.307 1.00 0.00 H new ATOM 673 N LEU A 42 96.939 1.158 -2.209 1.00 0.00 N ATOM 674 CA LEU A 42 96.704 2.597 -1.932 1.00 0.00 C ATOM 675 C LEU A 42 97.930 3.133 -1.148 1.00 0.00 C ATOM 676 O LEU A 42 97.902 3.232 0.063 1.00 0.00 O ATOM 677 CB LEU A 42 95.389 2.724 -1.109 1.00 0.00 C ATOM 678 CG LEU A 42 94.366 3.627 -1.828 1.00 0.00 C ATOM 679 CD1 LEU A 42 92.980 3.432 -1.203 1.00 0.00 C ATOM 680 CD2 LEU A 42 94.787 5.097 -1.691 1.00 0.00 C ATOM 0 H LEU A 42 97.639 0.711 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 42 96.592 3.181 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 94.958 1.735 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.611 3.135 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 42 94.329 3.359 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.258 4.071 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 42 92.678 2.390 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.017 3.697 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 94.062 5.732 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 94.828 5.367 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 42 95.770 5.237 -2.140 1.00 0.00 H new ATOM 692 N PRO A 43 99.020 3.436 -1.828 1.00 0.00 N ATOM 693 CA PRO A 43 100.260 3.914 -1.147 1.00 0.00 C ATOM 694 C PRO A 43 100.274 5.431 -0.848 1.00 0.00 C ATOM 695 O PRO A 43 99.736 5.876 0.143 1.00 0.00 O ATOM 696 CB PRO A 43 101.327 3.528 -2.184 1.00 0.00 C ATOM 697 CG PRO A 43 100.630 3.453 -3.556 1.00 0.00 C ATOM 698 CD PRO A 43 99.112 3.317 -3.311 1.00 0.00 C ATOM 0 HA PRO A 43 100.394 3.481 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.130 4.265 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 43 101.780 2.569 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 43 100.843 4.347 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.002 2.602 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.546 4.099 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.726 2.362 -3.667 1.00 0.00 H new ATOM 706 N SER A 44 100.914 6.219 -1.674 1.00 0.00 N ATOM 707 CA SER A 44 100.988 7.688 -1.405 1.00 0.00 C ATOM 708 C SER A 44 99.590 8.312 -1.366 1.00 0.00 C ATOM 709 O SER A 44 99.299 9.127 -0.523 1.00 0.00 O ATOM 710 CB SER A 44 101.810 8.363 -2.502 1.00 0.00 C ATOM 711 OG SER A 44 103.164 7.946 -2.399 1.00 0.00 O ATOM 0 H SER A 44 101.388 5.910 -2.522 1.00 0.00 H new ATOM 0 HA SER A 44 101.460 7.836 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 44 101.411 8.103 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.743 9.447 -2.407 1.00 0.00 H new ATOM 0 HG SER A 44 103.693 8.376 -3.103 1.00 0.00 H new ATOM 717 N PHE A 45 98.729 7.937 -2.270 1.00 0.00 N ATOM 718 CA PHE A 45 97.351 8.517 -2.291 1.00 0.00 C ATOM 719 C PHE A 45 96.654 8.233 -0.964 1.00 0.00 C ATOM 720 O PHE A 45 95.570 8.714 -0.694 1.00 0.00 O ATOM 721 CB PHE A 45 96.559 7.849 -3.403 1.00 0.00 C ATOM 722 CG PHE A 45 97.145 8.212 -4.746 1.00 0.00 C ATOM 723 CD1 PHE A 45 96.721 9.372 -5.405 1.00 0.00 C ATOM 724 CD2 PHE A 45 98.112 7.387 -5.336 1.00 0.00 C ATOM 725 CE1 PHE A 45 97.263 9.708 -6.652 1.00 0.00 C ATOM 726 CE2 PHE A 45 98.654 7.724 -6.583 1.00 0.00 C ATOM 727 CZ PHE A 45 98.230 8.884 -7.241 1.00 0.00 C ATOM 0 H PHE A 45 98.919 7.250 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 45 97.411 9.593 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 45 96.574 6.767 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 45 95.516 8.162 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.975 10.008 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 45 98.439 6.491 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 45 96.935 10.603 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 45 99.400 7.088 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 45 98.648 9.144 -8.202 1.00 0.00 H new ATOM 737 N LEU A 46 97.282 7.458 -0.141 1.00 0.00 N ATOM 738 CA LEU A 46 96.706 7.108 1.195 1.00 0.00 C ATOM 739 C LEU A 46 97.438 7.937 2.224 1.00 0.00 C ATOM 740 O LEU A 46 96.938 8.927 2.722 1.00 0.00 O ATOM 741 CB LEU A 46 96.928 5.620 1.477 1.00 0.00 C ATOM 742 CG LEU A 46 96.176 5.199 2.755 1.00 0.00 C ATOM 743 CD1 LEU A 46 94.684 4.965 2.457 1.00 0.00 C ATOM 744 CD2 LEU A 46 96.799 3.910 3.314 1.00 0.00 C ATOM 0 H LEU A 46 98.191 7.038 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 46 95.635 7.308 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.581 5.027 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 97.993 5.420 1.591 1.00 0.00 H new ATOM 0 HG LEU A 46 96.261 5.999 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.172 4.669 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 46 94.241 5.885 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.581 4.176 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.268 3.611 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.723 3.117 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 46 97.848 4.086 3.551 1.00 0.00 H new ATOM 756 N GLY A 47 98.656 7.578 2.502 1.00 0.00 N ATOM 757 CA GLY A 47 99.460 8.381 3.445 1.00 0.00 C ATOM 758 C GLY A 47 99.816 9.683 2.731 1.00 0.00 C ATOM 759 O GLY A 47 100.802 10.326 3.034 1.00 0.00 O ATOM 0 H GLY A 47 99.127 6.761 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 98.898 8.582 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.361 7.843 3.739 1.00 0.00 H new ATOM 763 N LYS A 48 99.019 10.063 1.757 1.00 0.00 N ATOM 764 CA LYS A 48 99.303 11.303 0.994 1.00 0.00 C ATOM 765 C LYS A 48 99.614 12.442 1.972 1.00 0.00 C ATOM 766 O LYS A 48 100.491 13.251 1.745 1.00 0.00 O ATOM 767 CB LYS A 48 98.061 11.684 0.169 1.00 0.00 C ATOM 768 CG LYS A 48 98.304 12.974 -0.630 1.00 0.00 C ATOM 769 CD LYS A 48 99.477 12.799 -1.604 1.00 0.00 C ATOM 770 CE LYS A 48 99.425 13.901 -2.663 1.00 0.00 C ATOM 771 NZ LYS A 48 99.465 15.230 -1.991 1.00 0.00 N ATOM 0 H LYS A 48 98.182 9.559 1.464 1.00 0.00 H new ATOM 0 HA LYS A 48 100.155 11.138 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 97.810 10.872 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 97.207 11.819 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 48 97.403 13.240 -1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 48 98.513 13.797 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 100.423 12.843 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 99.427 11.819 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 100.266 13.802 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 48 98.516 13.808 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 99.751 15.957 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 98.522 15.458 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 100.150 15.203 -1.209 1.00 0.00 H new ATOM 785 N ARG A 49 98.892 12.508 3.057 1.00 0.00 N ATOM 786 CA ARG A 49 99.126 13.589 4.058 1.00 0.00 C ATOM 787 C ARG A 49 100.431 13.332 4.809 1.00 0.00 C ATOM 788 O ARG A 49 100.698 12.234 5.257 1.00 0.00 O ATOM 789 CB ARG A 49 97.942 13.615 5.046 1.00 0.00 C ATOM 790 CG ARG A 49 96.809 14.489 4.491 1.00 0.00 C ATOM 791 CD ARG A 49 96.335 13.932 3.148 1.00 0.00 C ATOM 792 NE ARG A 49 95.137 14.695 2.689 1.00 0.00 N ATOM 793 CZ ARG A 49 94.726 14.587 1.453 1.00 0.00 C ATOM 794 NH1 ARG A 49 95.359 13.806 0.622 1.00 0.00 N ATOM 795 NH2 ARG A 49 93.683 15.260 1.050 1.00 0.00 N ATOM 0 H ARG A 49 98.145 11.855 3.295 1.00 0.00 H new ATOM 0 HA ARG A 49 99.203 14.551 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 49 97.579 12.602 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 49 98.271 14.003 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 49 95.979 14.516 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 97.156 15.515 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 97.133 14.007 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 49 96.090 12.874 3.247 1.00 0.00 H new ATOM 0 HE ARG A 49 94.639 15.301 3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 49 96.174 13.280 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 49 95.039 13.721 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 93.188 15.871 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 93.363 15.175 0.085 1.00 0.00 H new ATOM 809 N THR A 50 101.235 14.350 4.972 1.00 0.00 N ATOM 810 CA THR A 50 102.504 14.174 5.722 1.00 0.00 C ATOM 811 C THR A 50 102.120 13.782 7.138 1.00 0.00 C ATOM 812 O THR A 50 102.720 12.921 7.750 1.00 0.00 O ATOM 813 CB THR A 50 103.291 15.488 5.741 1.00 0.00 C ATOM 814 OG1 THR A 50 103.558 15.894 4.407 1.00 0.00 O ATOM 815 CG2 THR A 50 104.617 15.283 6.477 1.00 0.00 C ATOM 0 H THR A 50 101.065 15.291 4.618 1.00 0.00 H new ATOM 0 HA THR A 50 103.132 13.414 5.257 1.00 0.00 H new ATOM 0 HB THR A 50 102.705 16.253 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.060 16.736 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 50 105.175 16.219 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 50 104.420 14.965 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.202 14.518 5.966 1.00 0.00 H new ATOM 823 N ASP A 51 101.089 14.401 7.650 1.00 0.00 N ATOM 824 CA ASP A 51 100.615 14.065 9.015 1.00 0.00 C ATOM 825 C ASP A 51 99.601 12.926 8.899 1.00 0.00 C ATOM 826 O ASP A 51 98.405 13.133 8.942 1.00 0.00 O ATOM 827 CB ASP A 51 99.937 15.288 9.639 1.00 0.00 C ATOM 828 CG ASP A 51 99.673 15.023 11.122 1.00 0.00 C ATOM 829 OD1 ASP A 51 99.822 13.884 11.536 1.00 0.00 O ATOM 830 OD2 ASP A 51 99.328 15.962 11.820 1.00 0.00 O ATOM 0 H ASP A 51 100.555 15.128 7.175 1.00 0.00 H new ATOM 0 HA ASP A 51 101.454 13.766 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 51 100.571 16.167 9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 51 99.000 15.500 9.124 1.00 0.00 H new ATOM 835 N GLU A 52 100.082 11.725 8.742 1.00 0.00 N ATOM 836 CA GLU A 52 99.168 10.553 8.611 1.00 0.00 C ATOM 837 C GLU A 52 98.169 10.554 9.770 1.00 0.00 C ATOM 838 O GLU A 52 96.975 10.457 9.565 1.00 0.00 O ATOM 839 CB GLU A 52 100.010 9.269 8.656 1.00 0.00 C ATOM 840 CG GLU A 52 100.842 9.146 7.375 1.00 0.00 C ATOM 841 CD GLU A 52 102.017 10.128 7.419 1.00 0.00 C ATOM 842 OE1 GLU A 52 102.257 10.690 8.474 1.00 0.00 O ATOM 843 OE2 GLU A 52 102.655 10.301 6.393 1.00 0.00 O ATOM 0 H GLU A 52 101.076 11.502 8.698 1.00 0.00 H new ATOM 0 HA GLU A 52 98.621 10.607 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 52 100.666 9.284 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 52 99.360 8.401 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 52 101.213 8.127 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 52 100.218 9.351 6.505 1.00 0.00 H new ATOM 850 N ALA A 53 98.660 10.688 10.975 1.00 0.00 N ATOM 851 CA ALA A 53 97.783 10.722 12.193 1.00 0.00 C ATOM 852 C ALA A 53 96.487 9.923 12.005 1.00 0.00 C ATOM 853 O ALA A 53 96.407 8.769 12.369 1.00 0.00 O ATOM 854 CB ALA A 53 97.440 12.177 12.525 1.00 0.00 C ATOM 0 H ALA A 53 99.656 10.778 11.174 1.00 0.00 H new ATOM 0 HA ALA A 53 98.335 10.258 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 96.803 12.208 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 53 98.358 12.732 12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 53 96.915 12.628 11.683 1.00 0.00 H new ATOM 860 N ALA A 54 95.461 10.521 11.463 1.00 0.00 N ATOM 861 CA ALA A 54 94.197 9.757 11.302 1.00 0.00 C ATOM 862 C ALA A 54 94.467 8.547 10.422 1.00 0.00 C ATOM 863 O ALA A 54 93.983 7.462 10.657 1.00 0.00 O ATOM 864 CB ALA A 54 93.115 10.611 10.668 1.00 0.00 C ATOM 0 H ALA A 54 95.444 11.486 11.132 1.00 0.00 H new ATOM 0 HA ALA A 54 93.848 9.445 12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.203 10.024 10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 92.919 11.477 11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.445 10.946 9.685 1.00 0.00 H new ATOM 870 N PHE A 55 95.265 8.700 9.418 1.00 0.00 N ATOM 871 CA PHE A 55 95.574 7.528 8.573 1.00 0.00 C ATOM 872 C PHE A 55 96.220 6.498 9.496 1.00 0.00 C ATOM 873 O PHE A 55 95.946 5.317 9.429 1.00 0.00 O ATOM 874 CB PHE A 55 96.540 7.938 7.470 1.00 0.00 C ATOM 875 CG PHE A 55 95.780 8.639 6.368 1.00 0.00 C ATOM 876 CD1 PHE A 55 95.159 7.893 5.361 1.00 0.00 C ATOM 877 CD2 PHE A 55 95.700 10.037 6.354 1.00 0.00 C ATOM 878 CE1 PHE A 55 94.459 8.544 4.338 1.00 0.00 C ATOM 879 CE2 PHE A 55 94.999 10.688 5.333 1.00 0.00 C ATOM 880 CZ PHE A 55 94.378 9.942 4.324 1.00 0.00 C ATOM 0 H PHE A 55 95.714 9.575 9.146 1.00 0.00 H new ATOM 0 HA PHE A 55 94.682 7.120 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 55 97.309 8.598 7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 55 97.049 7.060 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.219 6.815 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 55 96.180 10.613 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.981 7.968 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 55 94.937 11.766 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 55 93.837 10.444 3.536 1.00 0.00 H new ATOM 890 N GLN A 56 97.050 6.963 10.396 1.00 0.00 N ATOM 891 CA GLN A 56 97.687 6.042 11.376 1.00 0.00 C ATOM 892 C GLN A 56 96.610 5.568 12.352 1.00 0.00 C ATOM 893 O GLN A 56 96.714 4.517 12.946 1.00 0.00 O ATOM 894 CB GLN A 56 98.810 6.772 12.125 1.00 0.00 C ATOM 895 CG GLN A 56 99.469 5.826 13.135 1.00 0.00 C ATOM 896 CD GLN A 56 100.604 6.560 13.855 1.00 0.00 C ATOM 897 OE1 GLN A 56 101.024 7.618 13.431 1.00 0.00 O ATOM 898 NE2 GLN A 56 101.113 6.046 14.943 1.00 0.00 N ATOM 0 H GLN A 56 97.312 7.944 10.491 1.00 0.00 H new ATOM 0 HA GLN A 56 98.125 5.185 10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 56 99.554 7.136 11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 56 98.407 7.644 12.640 1.00 0.00 H new ATOM 0 HG2 GLN A 56 98.731 5.477 13.857 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.857 4.945 12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 56 100.761 5.158 15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 56 101.862 6.533 15.435 1.00 0.00 H new ATOM 907 N LYS A 57 95.569 6.342 12.504 1.00 0.00 N ATOM 908 CA LYS A 57 94.460 5.941 13.427 1.00 0.00 C ATOM 909 C LYS A 57 93.761 4.732 12.826 1.00 0.00 C ATOM 910 O LYS A 57 93.429 3.783 13.509 1.00 0.00 O ATOM 911 CB LYS A 57 93.469 7.104 13.609 1.00 0.00 C ATOM 912 CG LYS A 57 92.328 6.696 14.545 1.00 0.00 C ATOM 913 CD LYS A 57 91.640 7.943 15.116 1.00 0.00 C ATOM 914 CE LYS A 57 90.970 8.731 13.987 1.00 0.00 C ATOM 915 NZ LYS A 57 90.120 9.809 14.571 1.00 0.00 N ATOM 0 H LYS A 57 95.436 7.235 12.030 1.00 0.00 H new ATOM 0 HA LYS A 57 94.859 5.690 14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 57 93.988 7.972 14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.065 7.400 12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.603 6.088 14.004 1.00 0.00 H new ATOM 0 HG3 LYS A 57 92.716 6.082 15.357 1.00 0.00 H new ATOM 0 HD2 LYS A 57 90.897 7.651 15.858 1.00 0.00 H new ATOM 0 HD3 LYS A 57 92.371 8.571 15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 57 91.726 9.164 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.362 8.065 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.664 10.345 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 89.390 9.385 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 90.712 10.450 15.137 1.00 0.00 H new ATOM 929 N LEU A 58 93.581 4.738 11.537 1.00 0.00 N ATOM 930 CA LEU A 58 92.960 3.565 10.875 1.00 0.00 C ATOM 931 C LEU A 58 93.949 2.433 11.031 1.00 0.00 C ATOM 932 O LEU A 58 93.604 1.304 11.305 1.00 0.00 O ATOM 933 CB LEU A 58 92.724 3.845 9.386 1.00 0.00 C ATOM 934 CG LEU A 58 91.772 5.034 9.211 1.00 0.00 C ATOM 935 CD1 LEU A 58 91.588 5.311 7.714 1.00 0.00 C ATOM 936 CD2 LEU A 58 90.407 4.720 9.849 1.00 0.00 C ATOM 0 H LEU A 58 93.837 5.505 10.915 1.00 0.00 H new ATOM 0 HA LEU A 58 91.993 3.329 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 93.674 4.056 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 58 92.305 2.961 8.905 1.00 0.00 H new ATOM 0 HG LEU A 58 92.195 5.910 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 58 90.912 6.156 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 58 92.554 5.545 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 58 91.167 4.430 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 89.740 5.572 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 58 89.974 3.843 9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 58 90.539 4.523 10.913 1.00 0.00 H new ATOM 948 N MET A 59 95.198 2.745 10.883 1.00 0.00 N ATOM 949 CA MET A 59 96.227 1.705 11.060 1.00 0.00 C ATOM 950 C MET A 59 96.224 1.310 12.527 1.00 0.00 C ATOM 951 O MET A 59 96.350 0.157 12.883 1.00 0.00 O ATOM 952 CB MET A 59 97.601 2.236 10.658 1.00 0.00 C ATOM 953 CG MET A 59 98.599 1.079 10.606 1.00 0.00 C ATOM 954 SD MET A 59 100.231 1.712 10.145 1.00 0.00 S ATOM 955 CE MET A 59 100.807 2.099 11.816 1.00 0.00 C ATOM 0 H MET A 59 95.548 3.674 10.648 1.00 0.00 H new ATOM 0 HA MET A 59 96.010 0.844 10.428 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.544 2.725 9.685 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.936 2.987 11.373 1.00 0.00 H new ATOM 0 HG2 MET A 59 98.650 0.584 11.576 1.00 0.00 H new ATOM 0 HG3 MET A 59 98.269 0.332 9.884 1.00 0.00 H new ATOM 0 HE1 MET A 59 101.704 2.715 11.758 1.00 0.00 H new ATOM 0 HE2 MET A 59 100.028 2.641 12.353 1.00 0.00 H new ATOM 0 HE3 MET A 59 101.036 1.174 12.345 1.00 0.00 H new ATOM 965 N SER A 60 96.059 2.270 13.385 1.00 0.00 N ATOM 966 CA SER A 60 96.013 1.955 14.836 1.00 0.00 C ATOM 967 C SER A 60 94.700 1.238 15.129 1.00 0.00 C ATOM 968 O SER A 60 94.574 0.521 16.100 1.00 0.00 O ATOM 969 CB SER A 60 96.089 3.242 15.654 1.00 0.00 C ATOM 970 OG SER A 60 96.442 2.923 16.995 1.00 0.00 O ATOM 0 H SER A 60 95.954 3.256 13.147 1.00 0.00 H new ATOM 0 HA SER A 60 96.858 1.322 15.105 1.00 0.00 H new ATOM 0 HB2 SER A 60 96.826 3.919 15.222 1.00 0.00 H new ATOM 0 HB3 SER A 60 95.130 3.759 15.631 1.00 0.00 H new ATOM 0 HG SER A 60 96.494 3.746 17.524 1.00 0.00 H new ATOM 976 N ASN A 61 93.718 1.420 14.289 1.00 0.00 N ATOM 977 CA ASN A 61 92.421 0.731 14.540 1.00 0.00 C ATOM 978 C ASN A 61 92.656 -0.763 14.389 1.00 0.00 C ATOM 979 O ASN A 61 92.129 -1.563 15.133 1.00 0.00 O ATOM 980 CB ASN A 61 91.336 1.213 13.568 1.00 0.00 C ATOM 981 CG ASN A 61 90.937 2.656 13.902 1.00 0.00 C ATOM 982 OD1 ASN A 61 91.253 3.169 15.064 1.00 0.00 O flip ATOM 983 ND2 ASN A 61 90.327 3.329 13.094 1.00 0.00 N flip ATOM 0 H ASN A 61 93.755 2.005 13.454 1.00 0.00 H new ATOM 0 HA ASN A 61 92.067 0.961 15.545 1.00 0.00 H new ATOM 0 HB2 ASN A 61 91.703 1.156 12.543 1.00 0.00 H new ATOM 0 HB3 ASN A 61 90.464 0.562 13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 61 90.078 2.935 12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 61 90.064 4.288 13.323 1.00 0.00 H new ATOM 990 N LEU A 62 93.485 -1.148 13.458 1.00 0.00 N ATOM 991 CA LEU A 62 93.789 -2.597 13.305 1.00 0.00 C ATOM 992 C LEU A 62 94.335 -3.042 14.661 1.00 0.00 C ATOM 993 O LEU A 62 94.112 -4.143 15.123 1.00 0.00 O ATOM 994 CB LEU A 62 94.858 -2.822 12.219 1.00 0.00 C ATOM 995 CG LEU A 62 94.688 -1.815 11.080 1.00 0.00 C ATOM 996 CD1 LEU A 62 95.739 -2.088 10.001 1.00 0.00 C ATOM 997 CD2 LEU A 62 93.283 -1.927 10.482 1.00 0.00 C ATOM 0 H LEU A 62 93.961 -0.528 12.803 1.00 0.00 H new ATOM 0 HA LEU A 62 92.903 -3.158 13.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.853 -2.723 12.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 94.780 -3.837 11.829 1.00 0.00 H new ATOM 0 HG LEU A 62 94.821 -0.806 11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 62 95.620 -1.372 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.736 -1.988 10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.610 -3.099 9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 62 93.174 -1.206 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 62 93.132 -2.934 10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.542 -1.721 11.254 1.00 0.00 H new ATOM 1009 N ASP A 63 95.031 -2.142 15.306 1.00 0.00 N ATOM 1010 CA ASP A 63 95.591 -2.422 16.650 1.00 0.00 C ATOM 1011 C ASP A 63 94.527 -2.070 17.690 1.00 0.00 C ATOM 1012 O ASP A 63 94.801 -1.982 18.870 1.00 0.00 O ATOM 1013 CB ASP A 63 96.835 -1.559 16.882 1.00 0.00 C ATOM 1014 CG ASP A 63 97.974 -2.050 15.989 1.00 0.00 C ATOM 1015 OD1 ASP A 63 97.929 -3.201 15.583 1.00 0.00 O ATOM 1016 OD2 ASP A 63 98.873 -1.270 15.728 1.00 0.00 O ATOM 0 H ASP A 63 95.235 -1.210 14.946 1.00 0.00 H new ATOM 0 HA ASP A 63 95.871 -3.473 16.730 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.612 -0.515 16.663 1.00 0.00 H new ATOM 0 HB3 ASP A 63 97.134 -1.608 17.929 1.00 0.00 H new ATOM 1021 N SER A 64 93.311 -1.847 17.252 1.00 0.00 N ATOM 1022 CA SER A 64 92.234 -1.476 18.213 1.00 0.00 C ATOM 1023 C SER A 64 92.132 -2.549 19.298 1.00 0.00 C ATOM 1024 O SER A 64 92.812 -2.489 20.301 1.00 0.00 O ATOM 1025 CB SER A 64 90.890 -1.391 17.487 1.00 0.00 C ATOM 1026 OG SER A 64 89.847 -1.291 18.449 1.00 0.00 O ATOM 0 H SER A 64 93.022 -1.906 16.276 1.00 0.00 H new ATOM 0 HA SER A 64 92.474 -0.509 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.875 -0.526 16.824 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.743 -2.273 16.863 1.00 0.00 H new ATOM 0 HG SER A 64 88.983 -1.234 17.990 1.00 0.00 H new ATOM 1032 N ASN A 65 91.295 -3.537 19.093 1.00 0.00 N ATOM 1033 CA ASN A 65 91.149 -4.623 20.108 1.00 0.00 C ATOM 1034 C ASN A 65 90.187 -5.697 19.584 1.00 0.00 C ATOM 1035 O ASN A 65 90.597 -6.736 19.107 1.00 0.00 O ATOM 1036 CB ASN A 65 90.588 -4.042 21.414 1.00 0.00 C ATOM 1037 CG ASN A 65 90.502 -5.144 22.472 1.00 0.00 C ATOM 1038 OD1 ASN A 65 89.442 -5.685 22.718 1.00 0.00 O ATOM 1039 ND2 ASN A 65 91.581 -5.499 23.115 1.00 0.00 N ATOM 0 H ASN A 65 90.707 -3.637 18.266 1.00 0.00 H new ATOM 0 HA ASN A 65 92.127 -5.066 20.295 1.00 0.00 H new ATOM 0 HB2 ASN A 65 91.227 -3.233 21.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.601 -3.614 21.239 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.535 -6.231 23.824 1.00 0.00 H new ATOM 0 HD22 ASN A 65 92.471 -5.045 22.908 1.00 0.00 H new ATOM 1046 N ARG A 66 88.909 -5.457 19.695 1.00 0.00 N ATOM 1047 CA ARG A 66 87.901 -6.457 19.232 1.00 0.00 C ATOM 1048 C ARG A 66 88.040 -6.728 17.730 1.00 0.00 C ATOM 1049 O ARG A 66 87.899 -7.850 17.284 1.00 0.00 O ATOM 1050 CB ARG A 66 86.496 -5.920 19.527 1.00 0.00 C ATOM 1051 CG ARG A 66 85.436 -6.933 19.077 1.00 0.00 C ATOM 1052 CD ARG A 66 84.045 -6.378 19.382 1.00 0.00 C ATOM 1053 NE ARG A 66 83.012 -7.368 18.969 1.00 0.00 N ATOM 1054 CZ ARG A 66 81.784 -7.241 19.390 1.00 0.00 C ATOM 1055 NH1 ARG A 66 81.463 -6.239 20.164 1.00 0.00 N ATOM 1056 NH2 ARG A 66 80.876 -8.108 19.038 1.00 0.00 N ATOM 0 H ARG A 66 88.515 -4.603 20.090 1.00 0.00 H new ATOM 0 HA ARG A 66 88.069 -7.394 19.763 1.00 0.00 H new ATOM 0 HB2 ARG A 66 86.391 -5.723 20.594 1.00 0.00 H new ATOM 0 HB3 ARG A 66 86.345 -4.972 19.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 85.535 -7.131 18.010 1.00 0.00 H new ATOM 0 HG3 ARG A 66 85.582 -7.883 19.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 83.953 -6.164 20.447 1.00 0.00 H new ATOM 0 HD3 ARG A 66 83.894 -5.437 18.853 1.00 0.00 H new ATOM 0 HE ARG A 66 83.264 -8.144 18.358 1.00 0.00 H new ATOM 0 HH11 ARG A 66 82.172 -5.558 20.438 1.00 0.00 H new ATOM 0 HH12 ARG A 66 80.504 -6.137 20.495 1.00 0.00 H new ATOM 0 HH21 ARG A 66 81.125 -8.889 18.431 1.00 0.00 H new ATOM 0 HH22 ARG A 66 79.917 -8.005 19.369 1.00 0.00 H new ATOM 1070 N ASP A 67 88.287 -5.721 16.935 1.00 0.00 N ATOM 1071 CA ASP A 67 88.393 -5.962 15.467 1.00 0.00 C ATOM 1072 C ASP A 67 89.482 -6.997 15.191 1.00 0.00 C ATOM 1073 O ASP A 67 90.529 -6.995 15.805 1.00 0.00 O ATOM 1074 CB ASP A 67 88.734 -4.657 14.743 1.00 0.00 C ATOM 1075 CG ASP A 67 90.108 -4.160 15.191 1.00 0.00 C ATOM 1076 OD1 ASP A 67 90.553 -4.580 16.245 1.00 0.00 O ATOM 1077 OD2 ASP A 67 90.692 -3.366 14.471 1.00 0.00 O ATOM 0 H ASP A 67 88.418 -4.754 17.233 1.00 0.00 H new ATOM 0 HA ASP A 67 87.436 -6.334 15.101 1.00 0.00 H new ATOM 0 HB2 ASP A 67 88.729 -4.817 13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 67 87.977 -3.903 14.957 1.00 0.00 H new ATOM 1082 N ASN A 68 89.236 -7.885 14.266 1.00 0.00 N ATOM 1083 CA ASN A 68 90.252 -8.928 13.943 1.00 0.00 C ATOM 1084 C ASN A 68 90.014 -9.484 12.530 1.00 0.00 C ATOM 1085 O ASN A 68 90.921 -9.986 11.897 1.00 0.00 O ATOM 1086 CB ASN A 68 90.152 -10.065 14.965 1.00 0.00 C ATOM 1087 CG ASN A 68 88.797 -10.763 14.828 1.00 0.00 C ATOM 1088 OD1 ASN A 68 87.845 -10.179 14.351 1.00 0.00 O ATOM 1089 ND2 ASN A 68 88.671 -11.999 15.230 1.00 0.00 N ATOM 0 H ASN A 68 88.376 -7.933 13.720 1.00 0.00 H new ATOM 0 HA ASN A 68 91.246 -8.482 13.982 1.00 0.00 H new ATOM 0 HB2 ASN A 68 90.959 -10.781 14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 68 90.269 -9.671 15.975 1.00 0.00 H new ATOM 0 HD21 ASN A 68 87.773 -12.474 15.143 1.00 0.00 H new ATOM 0 HD22 ASN A 68 89.471 -12.489 15.631 1.00 0.00 H new ATOM 1096 N GLU A 69 88.800 -9.405 12.033 1.00 0.00 N ATOM 1097 CA GLU A 69 88.488 -9.933 10.663 1.00 0.00 C ATOM 1098 C GLU A 69 87.875 -8.823 9.806 1.00 0.00 C ATOM 1099 O GLU A 69 87.161 -7.966 10.291 1.00 0.00 O ATOM 1100 CB GLU A 69 87.492 -11.085 10.784 1.00 0.00 C ATOM 1101 CG GLU A 69 87.235 -11.693 9.410 1.00 0.00 C ATOM 1102 CD GLU A 69 86.285 -12.882 9.557 1.00 0.00 C ATOM 1103 OE1 GLU A 69 86.772 -13.980 9.771 1.00 0.00 O ATOM 1104 OE2 GLU A 69 85.087 -12.675 9.450 1.00 0.00 O ATOM 0 H GLU A 69 88.005 -8.994 12.522 1.00 0.00 H new ATOM 0 HA GLU A 69 89.407 -10.284 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 69 87.882 -11.845 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.557 -10.726 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.802 -10.947 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.174 -12.016 8.960 1.00 0.00 H new ATOM 1111 N VAL A 70 88.150 -8.841 8.531 1.00 0.00 N ATOM 1112 CA VAL A 70 87.598 -7.806 7.606 1.00 0.00 C ATOM 1113 C VAL A 70 86.522 -8.440 6.737 1.00 0.00 C ATOM 1114 O VAL A 70 86.804 -9.074 5.741 1.00 0.00 O ATOM 1115 CB VAL A 70 88.727 -7.302 6.709 1.00 0.00 C ATOM 1116 CG1 VAL A 70 88.346 -5.973 6.080 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.993 -7.117 7.533 1.00 0.00 C ATOM 0 H VAL A 70 88.743 -9.539 8.082 1.00 0.00 H new ATOM 0 HA VAL A 70 87.173 -6.980 8.177 1.00 0.00 H new ATOM 0 HB VAL A 70 88.901 -8.036 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 89.160 -5.625 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 70 87.445 -6.099 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 88.160 -5.239 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.796 -6.757 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.809 -6.391 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.282 -8.070 7.976 1.00 0.00 H new ATOM 1127 N ASP A 71 85.294 -8.241 7.087 1.00 0.00 N ATOM 1128 CA ASP A 71 84.194 -8.796 6.262 1.00 0.00 C ATOM 1129 C ASP A 71 83.964 -7.811 5.125 1.00 0.00 C ATOM 1130 O ASP A 71 84.482 -6.713 5.148 1.00 0.00 O ATOM 1131 CB ASP A 71 82.926 -8.928 7.111 1.00 0.00 C ATOM 1132 CG ASP A 71 81.883 -9.756 6.357 1.00 0.00 C ATOM 1133 OD1 ASP A 71 82.096 -10.020 5.186 1.00 0.00 O ATOM 1134 OD2 ASP A 71 80.886 -10.111 6.966 1.00 0.00 O ATOM 0 H ASP A 71 84.999 -7.717 7.911 1.00 0.00 H new ATOM 0 HA ASP A 71 84.445 -9.785 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 71 83.162 -9.403 8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 71 82.525 -7.940 7.339 1.00 0.00 H new ATOM 1139 N PHE A 72 83.201 -8.159 4.134 1.00 0.00 N ATOM 1140 CA PHE A 72 82.981 -7.193 3.037 1.00 0.00 C ATOM 1141 C PHE A 72 82.479 -5.886 3.649 1.00 0.00 C ATOM 1142 O PHE A 72 82.839 -4.807 3.226 1.00 0.00 O ATOM 1143 CB PHE A 72 81.943 -7.745 2.062 1.00 0.00 C ATOM 1144 CG PHE A 72 81.921 -6.872 0.836 1.00 0.00 C ATOM 1145 CD1 PHE A 72 82.928 -7.010 -0.124 1.00 0.00 C ATOM 1146 CD2 PHE A 72 80.911 -5.921 0.662 1.00 0.00 C ATOM 1147 CE1 PHE A 72 82.927 -6.197 -1.257 1.00 0.00 C ATOM 1148 CE2 PHE A 72 80.909 -5.108 -0.477 1.00 0.00 C ATOM 1149 CZ PHE A 72 81.918 -5.245 -1.437 1.00 0.00 C ATOM 0 H PHE A 72 82.727 -9.057 4.038 1.00 0.00 H new ATOM 0 HA PHE A 72 83.909 -7.021 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.188 -8.772 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 72 80.959 -7.765 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 72 83.707 -7.746 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 72 80.134 -5.814 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 72 83.707 -6.303 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 72 80.128 -4.375 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 72 81.918 -4.617 -2.315 1.00 0.00 H new ATOM 1159 N GLN A 73 81.650 -5.985 4.652 1.00 0.00 N ATOM 1160 CA GLN A 73 81.121 -4.759 5.305 1.00 0.00 C ATOM 1161 C GLN A 73 82.249 -3.988 6.008 1.00 0.00 C ATOM 1162 O GLN A 73 82.290 -2.777 5.945 1.00 0.00 O ATOM 1163 CB GLN A 73 80.046 -5.152 6.325 1.00 0.00 C ATOM 1164 CG GLN A 73 79.468 -3.895 6.984 1.00 0.00 C ATOM 1165 CD GLN A 73 78.369 -4.293 7.970 1.00 0.00 C ATOM 1166 OE1 GLN A 73 78.471 -5.418 8.624 1.00 0.00 O flip ATOM 1167 NE2 GLN A 73 77.411 -3.569 8.155 1.00 0.00 N flip ATOM 0 H GLN A 73 81.317 -6.865 5.047 1.00 0.00 H new ATOM 0 HA GLN A 73 80.687 -4.112 4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.252 -5.712 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.474 -5.807 7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 73 80.256 -3.349 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 73 79.064 -3.226 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 73 77.330 -2.690 7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.688 -3.841 8.821 1.00 0.00 H new ATOM 1176 N GLU A 74 83.170 -4.645 6.677 1.00 0.00 N ATOM 1177 CA GLU A 74 84.248 -3.876 7.354 1.00 0.00 C ATOM 1178 C GLU A 74 85.145 -3.232 6.310 1.00 0.00 C ATOM 1179 O GLU A 74 85.594 -2.114 6.472 1.00 0.00 O ATOM 1180 CB GLU A 74 85.080 -4.802 8.249 1.00 0.00 C ATOM 1181 CG GLU A 74 84.305 -5.161 9.527 1.00 0.00 C ATOM 1182 CD GLU A 74 83.281 -6.255 9.226 1.00 0.00 C ATOM 1183 OE1 GLU A 74 82.316 -5.962 8.542 1.00 0.00 O ATOM 1184 OE2 GLU A 74 83.481 -7.368 9.684 1.00 0.00 O ATOM 0 H GLU A 74 83.217 -5.659 6.779 1.00 0.00 H new ATOM 0 HA GLU A 74 83.795 -3.102 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 74 85.334 -5.711 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 86.019 -4.315 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 84.996 -5.500 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 83.801 -4.277 9.917 1.00 0.00 H new ATOM 1191 N TYR A 75 85.419 -3.921 5.243 1.00 0.00 N ATOM 1192 CA TYR A 75 86.299 -3.330 4.210 1.00 0.00 C ATOM 1193 C TYR A 75 85.646 -2.041 3.702 1.00 0.00 C ATOM 1194 O TYR A 75 86.298 -1.039 3.486 1.00 0.00 O ATOM 1195 CB TYR A 75 86.481 -4.323 3.054 1.00 0.00 C ATOM 1196 CG TYR A 75 87.387 -3.721 2.002 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.709 -3.386 2.327 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.910 -3.495 0.702 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.550 -2.828 1.358 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.756 -2.938 -0.267 1.00 0.00 C ATOM 1201 CZ TYR A 75 89.075 -2.605 0.064 1.00 0.00 C ATOM 1202 OH TYR A 75 89.909 -2.062 -0.889 1.00 0.00 O ATOM 0 H TYR A 75 85.074 -4.860 5.044 1.00 0.00 H new ATOM 0 HA TYR A 75 87.280 -3.107 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 75 86.908 -5.254 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.513 -4.568 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.079 -3.559 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.892 -3.750 0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.568 -2.569 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.390 -2.766 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 75 90.256 -2.775 -1.464 1.00 0.00 H new ATOM 1212 N CYS A 76 84.353 -2.064 3.536 1.00 0.00 N ATOM 1213 CA CYS A 76 83.616 -0.856 3.074 1.00 0.00 C ATOM 1214 C CYS A 76 83.643 0.184 4.186 1.00 0.00 C ATOM 1215 O CYS A 76 83.809 1.362 3.938 1.00 0.00 O ATOM 1216 CB CYS A 76 82.166 -1.226 2.754 1.00 0.00 C ATOM 1217 SG CYS A 76 82.138 -2.589 1.564 1.00 0.00 S ATOM 0 H CYS A 76 83.767 -2.882 3.704 1.00 0.00 H new ATOM 0 HA CYS A 76 84.086 -0.456 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 76 81.644 -1.515 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.641 -0.362 2.346 1.00 0.00 H new ATOM 0 HG CYS A 76 82.233 -3.720 2.198 1.00 0.00 H new ATOM 1223 N VAL A 77 83.503 -0.233 5.419 1.00 0.00 N ATOM 1224 CA VAL A 77 83.551 0.761 6.517 1.00 0.00 C ATOM 1225 C VAL A 77 84.914 1.432 6.442 1.00 0.00 C ATOM 1226 O VAL A 77 85.039 2.632 6.587 1.00 0.00 O ATOM 1227 CB VAL A 77 83.373 0.057 7.866 1.00 0.00 C ATOM 1228 CG1 VAL A 77 83.668 1.034 9.007 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.927 -0.442 7.991 1.00 0.00 C ATOM 0 H VAL A 77 83.360 -1.202 5.703 1.00 0.00 H new ATOM 0 HA VAL A 77 82.753 1.497 6.421 1.00 0.00 H new ATOM 0 HB VAL A 77 84.063 -0.785 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 77 83.539 0.526 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.693 1.394 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.981 1.879 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.797 -0.944 8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 77 81.243 0.405 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.713 -1.142 7.183 1.00 0.00 H new ATOM 1239 N PHE A 78 85.936 0.668 6.172 1.00 0.00 N ATOM 1240 CA PHE A 78 87.278 1.278 6.038 1.00 0.00 C ATOM 1241 C PHE A 78 87.269 2.214 4.826 1.00 0.00 C ATOM 1242 O PHE A 78 87.785 3.308 4.880 1.00 0.00 O ATOM 1243 CB PHE A 78 88.341 0.190 5.843 1.00 0.00 C ATOM 1244 CG PHE A 78 88.710 -0.411 7.182 1.00 0.00 C ATOM 1245 CD1 PHE A 78 89.374 0.374 8.132 1.00 0.00 C ATOM 1246 CD2 PHE A 78 88.392 -1.742 7.476 1.00 0.00 C ATOM 1247 CE1 PHE A 78 89.719 -0.171 9.374 1.00 0.00 C ATOM 1248 CE2 PHE A 78 88.737 -2.288 8.717 1.00 0.00 C ATOM 1249 CZ PHE A 78 89.400 -1.502 9.666 1.00 0.00 C ATOM 0 H PHE A 78 85.896 -0.343 6.040 1.00 0.00 H new ATOM 0 HA PHE A 78 87.518 1.836 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.963 -0.586 5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.226 0.614 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 78 89.620 1.401 7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.880 -2.348 6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 78 90.231 0.435 10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 78 88.492 -3.315 8.942 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.666 -1.923 10.624 1.00 0.00 H new ATOM 1259 N LEU A 79 86.681 1.800 3.730 1.00 0.00 N ATOM 1260 CA LEU A 79 86.660 2.705 2.538 1.00 0.00 C ATOM 1261 C LEU A 79 85.730 3.890 2.809 1.00 0.00 C ATOM 1262 O LEU A 79 85.993 5.007 2.408 1.00 0.00 O ATOM 1263 CB LEU A 79 86.167 1.956 1.292 1.00 0.00 C ATOM 1264 CG LEU A 79 87.198 0.908 0.838 1.00 0.00 C ATOM 1265 CD1 LEU A 79 86.636 0.152 -0.379 1.00 0.00 C ATOM 1266 CD2 LEU A 79 88.532 1.592 0.456 1.00 0.00 C ATOM 0 H LEU A 79 86.224 0.896 3.609 1.00 0.00 H new ATOM 0 HA LEU A 79 87.675 3.058 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.217 1.467 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.984 2.665 0.485 1.00 0.00 H new ATOM 0 HG LEU A 79 87.388 0.212 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.359 -0.594 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 79 85.705 -0.343 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.445 0.856 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 79 89.250 0.836 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 79 88.360 2.296 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 79 88.927 2.127 1.320 1.00 0.00 H new ATOM 1278 N SER A 80 84.640 3.649 3.478 1.00 0.00 N ATOM 1279 CA SER A 80 83.677 4.748 3.771 1.00 0.00 C ATOM 1280 C SER A 80 84.293 5.695 4.796 1.00 0.00 C ATOM 1281 O SER A 80 84.264 6.900 4.639 1.00 0.00 O ATOM 1282 CB SER A 80 82.377 4.159 4.323 1.00 0.00 C ATOM 1283 OG SER A 80 81.846 3.236 3.379 1.00 0.00 O ATOM 0 H SER A 80 84.371 2.733 3.837 1.00 0.00 H new ATOM 0 HA SER A 80 83.457 5.297 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.564 3.659 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 80 81.657 4.954 4.518 1.00 0.00 H new ATOM 0 HG SER A 80 81.377 3.725 2.671 1.00 0.00 H new ATOM 1289 N CYS A 81 84.874 5.159 5.831 1.00 0.00 N ATOM 1290 CA CYS A 81 85.517 6.032 6.844 1.00 0.00 C ATOM 1291 C CYS A 81 86.605 6.826 6.143 1.00 0.00 C ATOM 1292 O CYS A 81 86.816 7.993 6.409 1.00 0.00 O ATOM 1293 CB CYS A 81 86.128 5.184 7.969 1.00 0.00 C ATOM 1294 SG CYS A 81 87.698 4.459 7.426 1.00 0.00 S ATOM 0 H CYS A 81 84.930 4.158 6.017 1.00 0.00 H new ATOM 0 HA CYS A 81 84.780 6.700 7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 81 86.291 5.802 8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 81 85.434 4.394 8.256 1.00 0.00 H new ATOM 0 HG CYS A 81 87.566 3.991 6.221 1.00 0.00 H new ATOM 1300 N ILE A 82 87.298 6.197 5.232 1.00 0.00 N ATOM 1301 CA ILE A 82 88.374 6.925 4.506 1.00 0.00 C ATOM 1302 C ILE A 82 87.739 7.980 3.602 1.00 0.00 C ATOM 1303 O ILE A 82 88.229 9.086 3.490 1.00 0.00 O ATOM 1304 CB ILE A 82 89.208 5.934 3.678 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.094 5.112 4.620 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.096 6.688 2.681 1.00 0.00 C ATOM 1307 CD1 ILE A 82 90.688 3.921 3.866 1.00 0.00 C ATOM 0 H ILE A 82 87.167 5.222 4.962 1.00 0.00 H new ATOM 0 HA ILE A 82 89.036 7.417 5.219 1.00 0.00 H new ATOM 0 HB ILE A 82 88.535 5.277 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.893 5.736 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.509 4.761 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.681 5.973 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.471 7.275 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.769 7.352 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.317 3.340 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 82 89.883 3.291 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.288 4.282 3.031 1.00 0.00 H new ATOM 1319 N ALA A 83 86.648 7.658 2.967 1.00 0.00 N ATOM 1320 CA ALA A 83 85.992 8.658 2.086 1.00 0.00 C ATOM 1321 C ALA A 83 85.513 9.839 2.928 1.00 0.00 C ATOM 1322 O ALA A 83 85.784 10.982 2.621 1.00 0.00 O ATOM 1323 CB ALA A 83 84.804 8.023 1.377 1.00 0.00 C ATOM 0 H ALA A 83 86.185 6.751 3.020 1.00 0.00 H new ATOM 0 HA ALA A 83 86.708 9.006 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.327 8.762 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 83 85.147 7.183 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.086 7.669 2.116 1.00 0.00 H new ATOM 1329 N MET A 84 84.815 9.577 4.002 1.00 0.00 N ATOM 1330 CA MET A 84 84.347 10.702 4.858 1.00 0.00 C ATOM 1331 C MET A 84 85.559 11.437 5.397 1.00 0.00 C ATOM 1332 O MET A 84 85.582 12.649 5.470 1.00 0.00 O ATOM 1333 CB MET A 84 83.491 10.184 6.011 1.00 0.00 C ATOM 1334 CG MET A 84 82.154 9.672 5.469 1.00 0.00 C ATOM 1335 SD MET A 84 81.095 9.168 6.848 1.00 0.00 S ATOM 1336 CE MET A 84 82.147 7.829 7.455 1.00 0.00 C ATOM 0 H MET A 84 84.552 8.644 4.319 1.00 0.00 H new ATOM 0 HA MET A 84 83.734 11.379 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.014 9.383 6.534 1.00 0.00 H new ATOM 0 HB3 MET A 84 83.320 10.980 6.736 1.00 0.00 H new ATOM 0 HG2 MET A 84 81.663 10.452 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.320 8.829 4.798 1.00 0.00 H new ATOM 0 HE1 MET A 84 81.531 7.076 7.947 1.00 0.00 H new ATOM 0 HE2 MET A 84 82.676 7.374 6.618 1.00 0.00 H new ATOM 0 HE3 MET A 84 82.869 8.228 8.167 1.00 0.00 H new ATOM 1346 N MET A 85 86.579 10.718 5.759 1.00 0.00 N ATOM 1347 CA MET A 85 87.788 11.393 6.270 1.00 0.00 C ATOM 1348 C MET A 85 88.297 12.310 5.166 1.00 0.00 C ATOM 1349 O MET A 85 88.763 13.399 5.423 1.00 0.00 O ATOM 1350 CB MET A 85 88.861 10.363 6.632 1.00 0.00 C ATOM 1351 CG MET A 85 90.031 11.077 7.313 1.00 0.00 C ATOM 1352 SD MET A 85 91.220 9.855 7.928 1.00 0.00 S ATOM 1353 CE MET A 85 92.188 9.661 6.409 1.00 0.00 C ATOM 0 H MET A 85 86.624 9.700 5.722 1.00 0.00 H new ATOM 0 HA MET A 85 87.555 11.962 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 85 88.446 9.605 7.296 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.205 9.848 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 85 90.519 11.750 6.608 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.665 11.689 8.137 1.00 0.00 H new ATOM 0 HE1 MET A 85 93.058 9.036 6.609 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.572 9.191 5.642 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.517 10.640 6.060 1.00 0.00 H new ATOM 1363 N CYS A 86 88.189 11.891 3.928 1.00 0.00 N ATOM 1364 CA CYS A 86 88.652 12.773 2.820 1.00 0.00 C ATOM 1365 C CYS A 86 88.403 12.102 1.467 1.00 0.00 C ATOM 1366 O CYS A 86 89.313 11.600 0.836 1.00 0.00 O ATOM 1367 CB CYS A 86 90.148 13.063 2.983 1.00 0.00 C ATOM 1368 SG CYS A 86 90.995 11.563 3.533 1.00 0.00 S ATOM 0 H CYS A 86 87.806 10.990 3.643 1.00 0.00 H new ATOM 0 HA CYS A 86 88.093 13.708 2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.568 13.405 2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 86 90.297 13.864 3.707 1.00 0.00 H new ATOM 0 HG CYS A 86 92.277 11.775 3.565 1.00 0.00 H new ATOM 1374 N ASN A 87 87.186 12.106 1.008 1.00 0.00 N ATOM 1375 CA ASN A 87 86.889 11.486 -0.313 1.00 0.00 C ATOM 1376 C ASN A 87 87.568 12.302 -1.414 1.00 0.00 C ATOM 1377 O ASN A 87 88.113 11.762 -2.356 1.00 0.00 O ATOM 1378 CB ASN A 87 85.378 11.495 -0.541 1.00 0.00 C ATOM 1379 CG ASN A 87 84.880 12.942 -0.542 1.00 0.00 C ATOM 1380 OD1 ASN A 87 85.119 13.679 -1.478 1.00 0.00 O ATOM 1381 ND2 ASN A 87 84.203 13.387 0.481 1.00 0.00 N ATOM 0 H ASN A 87 86.383 12.511 1.489 1.00 0.00 H new ATOM 0 HA ASN A 87 87.259 10.461 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 87 85.138 11.014 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 87 84.876 10.925 0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 87 83.875 14.353 0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 87 84.002 12.769 1.267 1.00 0.00 H new ATOM 1388 N GLU A 88 87.545 13.603 -1.291 1.00 0.00 N ATOM 1389 CA GLU A 88 88.189 14.471 -2.319 1.00 0.00 C ATOM 1390 C GLU A 88 88.142 15.925 -1.842 1.00 0.00 C ATOM 1391 O GLU A 88 89.160 16.548 -1.607 1.00 0.00 O ATOM 1392 CB GLU A 88 87.426 14.352 -3.644 1.00 0.00 C ATOM 1393 CG GLU A 88 88.195 15.077 -4.753 1.00 0.00 C ATOM 1394 CD GLU A 88 89.470 14.299 -5.081 1.00 0.00 C ATOM 1395 OE1 GLU A 88 89.523 13.123 -4.758 1.00 0.00 O ATOM 1396 OE2 GLU A 88 90.371 14.891 -5.652 1.00 0.00 O ATOM 0 H GLU A 88 87.105 14.104 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 88 89.223 14.158 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 88 87.296 13.302 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 88 86.429 14.781 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 88 87.572 15.167 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 88 88.445 16.089 -4.435 1.00 0.00 H new ATOM 1403 N PHE A 89 86.964 16.472 -1.705 1.00 0.00 N ATOM 1404 CA PHE A 89 86.844 17.886 -1.251 1.00 0.00 C ATOM 1405 C PHE A 89 87.179 17.988 0.237 1.00 0.00 C ATOM 1406 O PHE A 89 86.727 17.199 1.043 1.00 0.00 O ATOM 1407 CB PHE A 89 85.415 18.379 -1.484 1.00 0.00 C ATOM 1408 CG PHE A 89 85.090 18.295 -2.956 1.00 0.00 C ATOM 1409 CD1 PHE A 89 85.539 19.294 -3.831 1.00 0.00 C ATOM 1410 CD2 PHE A 89 84.346 17.217 -3.449 1.00 0.00 C ATOM 1411 CE1 PHE A 89 85.242 19.214 -5.196 1.00 0.00 C ATOM 1412 CE2 PHE A 89 84.049 17.139 -4.815 1.00 0.00 C ATOM 1413 CZ PHE A 89 84.497 18.136 -5.689 1.00 0.00 C ATOM 0 H PHE A 89 86.079 15.999 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 89 87.542 18.502 -1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 89 84.712 17.775 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 89 85.312 19.407 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 89 86.114 20.126 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 89 84.001 16.446 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 89 85.588 19.984 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 89 83.473 16.308 -5.195 1.00 0.00 H new ATOM 0 HZ PHE A 89 84.268 18.074 -6.743 1.00 0.00 H new ATOM 1423 N PHE A 90 87.967 18.963 0.607 1.00 0.00 N ATOM 1424 CA PHE A 90 88.335 19.140 2.037 1.00 0.00 C ATOM 1425 C PHE A 90 87.307 20.057 2.710 1.00 0.00 C ATOM 1426 O PHE A 90 87.296 20.217 3.914 1.00 0.00 O ATOM 1427 CB PHE A 90 89.727 19.776 2.109 1.00 0.00 C ATOM 1428 CG PHE A 90 90.030 20.163 3.532 1.00 0.00 C ATOM 1429 CD1 PHE A 90 89.646 21.421 4.003 1.00 0.00 C ATOM 1430 CD2 PHE A 90 90.688 19.266 4.379 1.00 0.00 C ATOM 1431 CE1 PHE A 90 89.920 21.785 5.322 1.00 0.00 C ATOM 1432 CE2 PHE A 90 90.964 19.629 5.700 1.00 0.00 C ATOM 1433 CZ PHE A 90 90.579 20.890 6.174 1.00 0.00 C ATOM 0 H PHE A 90 88.374 19.649 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 90 88.345 18.178 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 90 90.478 19.075 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 90 89.771 20.654 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 90 89.137 22.111 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 90 90.983 18.294 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 89.624 22.758 5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 90 91.474 18.938 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 90 90.790 21.171 7.195 1.00 0.00 H new ATOM 1443 N GLU A 91 86.453 20.669 1.935 1.00 0.00 N ATOM 1444 CA GLU A 91 85.432 21.588 2.513 1.00 0.00 C ATOM 1445 C GLU A 91 84.439 20.806 3.379 1.00 0.00 C ATOM 1446 O GLU A 91 84.024 21.263 4.425 1.00 0.00 O ATOM 1447 CB GLU A 91 84.678 22.279 1.377 1.00 0.00 C ATOM 1448 CG GLU A 91 85.610 23.268 0.677 1.00 0.00 C ATOM 1449 CD GLU A 91 84.907 23.857 -0.546 1.00 0.00 C ATOM 1450 OE1 GLU A 91 85.013 23.264 -1.607 1.00 0.00 O ATOM 1451 OE2 GLU A 91 84.269 24.886 -0.401 1.00 0.00 O ATOM 0 H GLU A 91 86.419 20.571 0.920 1.00 0.00 H new ATOM 0 HA GLU A 91 85.933 22.330 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 91 84.314 21.539 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 91 83.805 22.800 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 91 85.894 24.065 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 91 86.529 22.766 0.374 1.00 0.00 H new ATOM 1458 N GLY A 92 84.048 19.640 2.948 1.00 0.00 N ATOM 1459 CA GLY A 92 83.072 18.845 3.745 1.00 0.00 C ATOM 1460 C GLY A 92 83.543 18.755 5.194 1.00 0.00 C ATOM 1461 O GLY A 92 84.705 18.529 5.468 1.00 0.00 O ATOM 0 H GLY A 92 84.361 19.203 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 92 82.087 19.310 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 92 82.971 17.845 3.322 1.00 0.00 H new ATOM 1465 N PHE A 93 82.649 18.926 6.132 1.00 0.00 N ATOM 1466 CA PHE A 93 83.045 18.843 7.567 1.00 0.00 C ATOM 1467 C PHE A 93 83.011 17.365 8.003 1.00 0.00 C ATOM 1468 O PHE A 93 82.203 16.606 7.508 1.00 0.00 O ATOM 1469 CB PHE A 93 82.057 19.659 8.405 1.00 0.00 C ATOM 1470 CG PHE A 93 82.179 21.118 8.031 1.00 0.00 C ATOM 1471 CD1 PHE A 93 81.531 21.606 6.889 1.00 0.00 C ATOM 1472 CD2 PHE A 93 82.944 21.983 8.824 1.00 0.00 C ATOM 1473 CE1 PHE A 93 81.650 22.957 6.540 1.00 0.00 C ATOM 1474 CE2 PHE A 93 83.061 23.333 8.475 1.00 0.00 C ATOM 1475 CZ PHE A 93 82.415 23.820 7.333 1.00 0.00 C ATOM 0 H PHE A 93 81.661 19.120 5.965 1.00 0.00 H new ATOM 0 HA PHE A 93 84.049 19.242 7.709 1.00 0.00 H new ATOM 0 HB2 PHE A 93 81.039 19.310 8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 93 82.264 19.524 9.467 1.00 0.00 H new ATOM 0 HD1 PHE A 93 80.940 20.940 6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 93 83.444 21.608 9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 93 81.151 23.333 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 93 83.650 24.000 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 93 82.507 24.862 7.064 1.00 0.00 H new ATOM 1485 N PRO A 94 83.870 16.940 8.909 1.00 0.00 N ATOM 1486 CA PRO A 94 83.865 15.514 9.344 1.00 0.00 C ATOM 1487 C PRO A 94 82.480 15.068 9.839 1.00 0.00 C ATOM 1488 O PRO A 94 81.973 15.560 10.828 1.00 0.00 O ATOM 1489 CB PRO A 94 84.916 15.496 10.477 1.00 0.00 C ATOM 1490 CG PRO A 94 85.443 16.934 10.681 1.00 0.00 C ATOM 1491 CD PRO A 94 84.881 17.823 9.556 1.00 0.00 C ATOM 0 HA PRO A 94 84.096 14.821 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 94 84.472 15.121 11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 94 85.736 14.825 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 94 85.136 17.316 11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 94 86.533 16.944 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 94 84.430 18.734 9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 94 85.658 18.128 8.856 1.00 0.00 H new ATOM 1499 N ASP A 95 81.866 14.140 9.148 1.00 0.00 N ATOM 1500 CA ASP A 95 80.511 13.654 9.556 1.00 0.00 C ATOM 1501 C ASP A 95 80.643 12.354 10.357 1.00 0.00 C ATOM 1502 O ASP A 95 79.674 11.654 10.576 1.00 0.00 O ATOM 1503 CB ASP A 95 79.664 13.397 8.304 1.00 0.00 C ATOM 1504 CG ASP A 95 80.214 12.185 7.543 1.00 0.00 C ATOM 1505 OD1 ASP A 95 81.365 11.844 7.762 1.00 0.00 O ATOM 1506 OD2 ASP A 95 79.472 11.619 6.757 1.00 0.00 O ATOM 0 H ASP A 95 82.248 13.695 8.313 1.00 0.00 H new ATOM 0 HA ASP A 95 80.030 14.410 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 95 78.626 13.220 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 95 79.674 14.277 7.661 1.00 0.00 H new ATOM 1511 N LYS A 96 81.829 12.025 10.794 1.00 0.00 N ATOM 1512 CA LYS A 96 82.011 10.770 11.579 1.00 0.00 C ATOM 1513 C LYS A 96 81.311 10.930 12.929 1.00 0.00 C ATOM 1514 O LYS A 96 81.919 10.823 13.976 1.00 0.00 O ATOM 1515 CB LYS A 96 83.504 10.519 11.814 1.00 0.00 C ATOM 1516 CG LYS A 96 84.221 10.319 10.475 1.00 0.00 C ATOM 1517 CD LYS A 96 85.710 10.071 10.736 1.00 0.00 C ATOM 1518 CE LYS A 96 86.446 9.901 9.406 1.00 0.00 C ATOM 1519 NZ LYS A 96 87.916 9.974 9.643 1.00 0.00 N ATOM 0 H LYS A 96 82.678 12.570 10.642 1.00 0.00 H new ATOM 0 HA LYS A 96 81.587 9.929 11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 96 83.943 11.362 12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 96 83.638 9.639 12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 96 83.788 9.475 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 96 84.091 11.198 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 96 86.135 10.906 11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 96 85.838 9.179 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 96 86.186 8.944 8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 96 86.140 10.678 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 88.286 10.865 9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 88.105 9.936 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 88.383 9.172 9.174 1.00 0.00 H new ATOM 1533 N GLN A 97 80.032 11.202 12.910 1.00 0.00 N ATOM 1534 CA GLN A 97 79.272 11.391 14.186 1.00 0.00 C ATOM 1535 C GLN A 97 78.524 10.111 14.645 1.00 0.00 C ATOM 1536 O GLN A 97 78.171 10.022 15.804 1.00 0.00 O ATOM 1537 CB GLN A 97 78.238 12.504 13.986 1.00 0.00 C ATOM 1538 CG GLN A 97 78.948 13.819 13.664 1.00 0.00 C ATOM 1539 CD GLN A 97 77.907 14.885 13.311 1.00 0.00 C ATOM 1540 OE1 GLN A 97 77.312 15.483 14.186 1.00 0.00 O ATOM 1541 NE2 GLN A 97 77.662 15.149 12.058 1.00 0.00 N ATOM 0 H GLN A 97 79.476 11.302 12.061 1.00 0.00 H new ATOM 0 HA GLN A 97 80.000 11.643 14.957 1.00 0.00 H new ATOM 0 HB2 GLN A 97 77.558 12.240 13.176 1.00 0.00 H new ATOM 0 HB3 GLN A 97 77.634 12.617 14.886 1.00 0.00 H new ATOM 0 HG2 GLN A 97 79.542 14.143 14.519 1.00 0.00 H new ATOM 0 HG3 GLN A 97 79.638 13.679 12.832 1.00 0.00 H new ATOM 0 HE21 GLN A 97 78.162 14.647 11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 97 76.971 15.858 11.812 1.00 0.00 H new ATOM 1550 N PRO A 98 78.265 9.121 13.799 1.00 0.00 N ATOM 1551 CA PRO A 98 77.542 7.905 14.283 1.00 0.00 C ATOM 1552 C PRO A 98 78.244 7.248 15.482 1.00 0.00 C ATOM 1553 O PRO A 98 79.289 7.685 15.919 1.00 0.00 O ATOM 1554 CB PRO A 98 77.544 6.996 13.041 1.00 0.00 C ATOM 1555 CG PRO A 98 77.910 7.866 11.830 1.00 0.00 C ATOM 1556 CD PRO A 98 78.637 9.116 12.352 1.00 0.00 C ATOM 0 HA PRO A 98 76.541 8.123 14.656 1.00 0.00 H new ATOM 0 HB2 PRO A 98 78.262 6.185 13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 98 76.565 6.537 12.901 1.00 0.00 H new ATOM 0 HG2 PRO A 98 78.548 7.313 11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 98 77.014 8.148 11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 98 79.716 9.048 12.210 1.00 0.00 H new ATOM 0 HD3 PRO A 98 78.305 10.021 11.844 1.00 0.00 H new ATOM 1564 N ARG A 99 77.664 6.208 16.023 1.00 0.00 N ATOM 1565 CA ARG A 99 78.276 5.525 17.204 1.00 0.00 C ATOM 1566 C ARG A 99 79.192 4.388 16.744 1.00 0.00 C ATOM 1567 O ARG A 99 79.619 3.566 17.532 1.00 0.00 O ATOM 1568 CB ARG A 99 77.165 4.968 18.096 1.00 0.00 C ATOM 1569 CG ARG A 99 76.436 6.135 18.761 1.00 0.00 C ATOM 1570 CD ARG A 99 75.318 5.608 19.659 1.00 0.00 C ATOM 1571 NE ARG A 99 74.526 6.755 20.184 1.00 0.00 N ATOM 1572 CZ ARG A 99 73.352 6.552 20.714 1.00 0.00 C ATOM 1573 NH1 ARG A 99 72.867 5.343 20.784 1.00 0.00 N ATOM 1574 NH2 ARG A 99 72.663 7.560 21.174 1.00 0.00 N ATOM 0 H ARG A 99 76.788 5.800 15.696 1.00 0.00 H new ATOM 0 HA ARG A 99 78.871 6.245 17.766 1.00 0.00 H new ATOM 0 HB2 ARG A 99 76.467 4.375 17.504 1.00 0.00 H new ATOM 0 HB3 ARG A 99 77.585 4.305 18.852 1.00 0.00 H new ATOM 0 HG2 ARG A 99 77.138 6.726 19.349 1.00 0.00 H new ATOM 0 HG3 ARG A 99 76.022 6.797 18.000 1.00 0.00 H new ATOM 0 HD2 ARG A 99 74.673 4.933 19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 99 75.739 5.034 20.484 1.00 0.00 H new ATOM 0 HE ARG A 99 74.903 7.701 20.129 1.00 0.00 H new ATOM 0 HH11 ARG A 99 73.406 4.556 20.424 1.00 0.00 H new ATOM 0 HH12 ARG A 99 71.949 5.185 21.199 1.00 0.00 H new ATOM 0 HH21 ARG A 99 73.043 8.505 21.119 1.00 0.00 H new ATOM 0 HH22 ARG A 99 71.745 7.403 21.589 1.00 0.00 H new ATOM 1588 N LYS A 100 79.508 4.333 15.478 1.00 0.00 N ATOM 1589 CA LYS A 100 80.405 3.249 14.989 1.00 0.00 C ATOM 1590 C LYS A 100 81.771 3.384 15.664 1.00 0.00 C ATOM 1591 O LYS A 100 82.259 4.473 15.893 1.00 0.00 O ATOM 1592 CB LYS A 100 80.571 3.362 13.472 1.00 0.00 C ATOM 1593 CG LYS A 100 81.118 4.746 13.120 1.00 0.00 C ATOM 1594 CD LYS A 100 81.160 4.911 11.599 1.00 0.00 C ATOM 1595 CE LYS A 100 81.843 6.234 11.246 1.00 0.00 C ATOM 1596 NZ LYS A 100 83.250 6.209 11.739 1.00 0.00 N ATOM 0 H LYS A 100 79.186 4.988 14.766 1.00 0.00 H new ATOM 0 HA LYS A 100 79.970 2.279 15.231 1.00 0.00 H new ATOM 0 HB2 LYS A 100 81.249 2.589 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 100 79.613 3.202 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 100 80.490 5.519 13.562 1.00 0.00 H new ATOM 0 HG3 LYS A 100 82.117 4.870 13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 100 81.700 4.079 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 100 80.149 4.892 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 100 81.826 6.389 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 100 81.303 7.067 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 83.882 6.590 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 83.327 6.790 12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 83.524 5.230 11.957 1.00 0.00 H new ATOM 1610 N LYS A 101 82.386 2.283 15.997 1.00 0.00 N ATOM 1611 CA LYS A 101 83.718 2.340 16.670 1.00 0.00 C ATOM 1612 C LYS A 101 84.792 2.733 15.654 1.00 0.00 C ATOM 1613 O LYS A 101 85.767 2.008 15.542 1.00 0.00 O ATOM 1614 CB LYS A 101 84.046 0.965 17.254 1.00 0.00 C ATOM 1615 CG LYS A 101 83.022 0.613 18.335 1.00 0.00 C ATOM 1616 CD LYS A 101 83.350 -0.761 18.921 1.00 0.00 C ATOM 1617 CE LYS A 101 82.320 -1.118 19.994 1.00 0.00 C ATOM 1618 NZ LYS A 101 80.965 -1.177 19.376 1.00 0.00 N ATOM 1619 OXT LYS A 101 84.623 3.753 15.007 1.00 0.00 O ATOM 0 H LYS A 101 82.024 1.344 15.833 1.00 0.00 H new ATOM 0 HA LYS A 101 83.691 3.081 17.469 1.00 0.00 H new ATOM 0 HB2 LYS A 101 84.033 0.211 16.467 1.00 0.00 H new ATOM 0 HB3 LYS A 101 85.051 0.968 17.677 1.00 0.00 H new ATOM 0 HG2 LYS A 101 83.034 1.368 19.121 1.00 0.00 H new ATOM 0 HG3 LYS A 101 82.018 0.609 17.912 1.00 0.00 H new ATOM 0 HD2 LYS A 101 83.346 -1.514 18.133 1.00 0.00 H new ATOM 0 HD3 LYS A 101 84.352 -0.755 19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 101 82.568 -2.078 20.447 1.00 0.00 H new ATOM 0 HE3 LYS A 101 82.336 -0.375 20.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 80.330 -1.732 19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 80.589 -0.213 19.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 81.029 -1.628 18.441 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 98.820 3.545 -10.273 1.00 0.00 N ATOM 1635 CA MET B 1 99.361 2.797 -11.443 1.00 0.00 C ATOM 1636 C MET B 1 98.915 1.334 -11.361 1.00 0.00 C ATOM 1637 O MET B 1 98.314 0.808 -12.275 1.00 0.00 O ATOM 1638 CB MET B 1 100.889 2.862 -11.430 1.00 0.00 C ATOM 1639 CG MET B 1 101.431 2.316 -12.752 1.00 0.00 C ATOM 1640 SD MET B 1 103.239 2.392 -12.742 1.00 0.00 S ATOM 1641 CE MET B 1 103.509 1.518 -14.305 1.00 0.00 C ATOM 0 H1 MET B 1 99.122 4.539 -10.327 1.00 0.00 H new ATOM 0 H2 MET B 1 97.781 3.498 -10.281 1.00 0.00 H new ATOM 0 H3 MET B 1 99.179 3.121 -9.394 1.00 0.00 H new ATOM 0 HA MET B 1 98.986 3.244 -12.364 1.00 0.00 H new ATOM 0 HB2 MET B 1 101.219 3.891 -11.286 1.00 0.00 H new ATOM 0 HB3 MET B 1 101.282 2.281 -10.595 1.00 0.00 H new ATOM 0 HG2 MET B 1 101.101 1.287 -12.895 1.00 0.00 H new ATOM 0 HG3 MET B 1 101.037 2.896 -13.586 1.00 0.00 H new ATOM 0 HE1 MET B 1 104.579 1.448 -14.503 1.00 0.00 H new ATOM 0 HE2 MET B 1 103.086 0.516 -14.239 1.00 0.00 H new ATOM 0 HE3 MET B 1 103.025 2.064 -15.115 1.00 0.00 H new ATOM 1653 N ALA B 2 99.208 0.676 -10.267 1.00 0.00 N ATOM 1654 CA ALA B 2 98.812 -0.759 -10.103 1.00 0.00 C ATOM 1655 C ALA B 2 97.644 -0.858 -9.121 1.00 0.00 C ATOM 1656 O ALA B 2 97.408 -1.895 -8.535 1.00 0.00 O ATOM 1657 CB ALA B 2 99.995 -1.551 -9.546 1.00 0.00 C ATOM 0 H ALA B 2 99.709 1.074 -9.473 1.00 0.00 H new ATOM 0 HA ALA B 2 98.516 -1.164 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA B 2 99.709 -2.596 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA B 2 100.836 -1.482 -10.236 1.00 0.00 H new ATOM 0 HB3 ALA B 2 100.285 -1.140 -8.579 1.00 0.00 H new ATOM 1663 N CYS B 3 96.915 0.216 -8.930 1.00 0.00 N ATOM 1664 CA CYS B 3 95.761 0.196 -7.972 1.00 0.00 C ATOM 1665 C CYS B 3 94.502 0.762 -8.644 1.00 0.00 C ATOM 1666 O CYS B 3 94.113 1.883 -8.385 1.00 0.00 O ATOM 1667 CB CYS B 3 96.102 1.073 -6.766 1.00 0.00 C ATOM 1668 SG CYS B 3 96.684 2.689 -7.342 1.00 0.00 S ATOM 0 H CYS B 3 97.069 1.109 -9.398 1.00 0.00 H new ATOM 0 HA CYS B 3 95.576 -0.832 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS B 3 95.224 1.195 -6.132 1.00 0.00 H new ATOM 0 HB3 CYS B 3 96.870 0.593 -6.159 1.00 0.00 H new ATOM 0 HG CYS B 3 95.815 3.195 -8.166 1.00 0.00 H new ATOM 1674 N PRO B 4 93.855 -0.005 -9.493 1.00 0.00 N ATOM 1675 CA PRO B 4 92.616 0.477 -10.167 1.00 0.00 C ATOM 1676 C PRO B 4 91.501 0.780 -9.153 1.00 0.00 C ATOM 1677 O PRO B 4 90.583 1.525 -9.430 1.00 0.00 O ATOM 1678 CB PRO B 4 92.245 -0.706 -11.088 1.00 0.00 C ATOM 1679 CG PRO B 4 93.365 -1.763 -10.999 1.00 0.00 C ATOM 1680 CD PRO B 4 94.306 -1.381 -9.844 1.00 0.00 C ATOM 0 HA PRO B 4 92.757 1.413 -10.708 1.00 0.00 H new ATOM 0 HB2 PRO B 4 91.291 -1.138 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO B 4 92.128 -0.364 -12.116 1.00 0.00 H new ATOM 0 HG2 PRO B 4 92.940 -2.752 -10.830 1.00 0.00 H new ATOM 0 HG3 PRO B 4 93.917 -1.810 -11.938 1.00 0.00 H new ATOM 0 HD2 PRO B 4 94.210 -2.065 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO B 4 95.352 -1.398 -10.151 1.00 0.00 H new ATOM 1688 N LEU B 5 91.586 0.211 -7.981 1.00 0.00 N ATOM 1689 CA LEU B 5 90.547 0.466 -6.944 1.00 0.00 C ATOM 1690 C LEU B 5 90.514 1.959 -6.634 1.00 0.00 C ATOM 1691 O LEU B 5 89.490 2.506 -6.282 1.00 0.00 O ATOM 1692 CB LEU B 5 90.886 -0.315 -5.670 1.00 0.00 C ATOM 1693 CG LEU B 5 89.869 0.003 -4.561 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.452 -0.399 -5.006 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.253 -0.764 -3.293 1.00 0.00 C ATOM 0 H LEU B 5 92.334 -0.422 -7.697 1.00 0.00 H new ATOM 0 HA LEU B 5 89.573 0.142 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU B 5 90.883 -1.385 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU B 5 91.891 -0.059 -5.335 1.00 0.00 H new ATOM 0 HG LEU B 5 89.879 1.074 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU B 5 87.742 -0.168 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.182 0.154 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU B 5 88.426 -1.468 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU B 5 89.536 -0.543 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 5 90.247 -1.834 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.250 -0.462 -2.973 1.00 0.00 H new ATOM 1707 N GLU B 6 91.630 2.618 -6.738 1.00 0.00 N ATOM 1708 CA GLU B 6 91.660 4.069 -6.421 1.00 0.00 C ATOM 1709 C GLU B 6 90.697 4.811 -7.348 1.00 0.00 C ATOM 1710 O GLU B 6 89.935 5.652 -6.918 1.00 0.00 O ATOM 1711 CB GLU B 6 93.079 4.594 -6.643 1.00 0.00 C ATOM 1712 CG GLU B 6 93.173 6.033 -6.134 1.00 0.00 C ATOM 1713 CD GLU B 6 94.592 6.563 -6.345 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.457 5.771 -6.682 1.00 0.00 O ATOM 1715 OE2 GLU B 6 94.791 7.753 -6.163 1.00 0.00 O ATOM 0 H GLU B 6 92.521 2.216 -7.028 1.00 0.00 H new ATOM 0 HA GLU B 6 91.362 4.228 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.798 3.964 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU B 6 93.332 4.554 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU B 6 92.457 6.663 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU B 6 92.913 6.072 -5.076 1.00 0.00 H new ATOM 1722 N LYS B 7 90.711 4.503 -8.614 1.00 0.00 N ATOM 1723 CA LYS B 7 89.780 5.188 -9.548 1.00 0.00 C ATOM 1724 C LYS B 7 88.371 4.630 -9.352 1.00 0.00 C ATOM 1725 O LYS B 7 87.415 5.366 -9.257 1.00 0.00 O ATOM 1726 CB LYS B 7 90.228 4.961 -10.992 1.00 0.00 C ATOM 1727 CG LYS B 7 89.263 5.682 -11.940 1.00 0.00 C ATOM 1728 CD LYS B 7 89.807 5.650 -13.375 1.00 0.00 C ATOM 1729 CE LYS B 7 89.544 4.278 -14.003 1.00 0.00 C ATOM 1730 NZ LYS B 7 89.928 4.311 -15.441 1.00 0.00 N ATOM 0 H LYS B 7 91.325 3.809 -9.040 1.00 0.00 H new ATOM 0 HA LYS B 7 89.783 6.258 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS B 7 91.242 5.335 -11.133 1.00 0.00 H new ATOM 0 HB3 LYS B 7 90.247 3.894 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS B 7 88.283 5.206 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS B 7 89.128 6.714 -11.617 1.00 0.00 H new ATOM 0 HD2 LYS B 7 89.331 6.429 -13.971 1.00 0.00 H new ATOM 0 HD3 LYS B 7 90.877 5.859 -13.372 1.00 0.00 H new ATOM 0 HE2 LYS B 7 90.115 3.511 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS B 7 88.491 4.015 -13.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 89.750 3.380 -15.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 89.364 5.032 -15.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 90.938 4.543 -15.525 1.00 0.00 H new ATOM 1744 N ALA B 8 88.233 3.334 -9.262 1.00 0.00 N ATOM 1745 CA ALA B 8 86.877 2.766 -9.053 1.00 0.00 C ATOM 1746 C ALA B 8 86.354 3.345 -7.748 1.00 0.00 C ATOM 1747 O ALA B 8 85.207 3.716 -7.631 1.00 0.00 O ATOM 1748 CB ALA B 8 86.940 1.232 -9.001 1.00 0.00 C ATOM 0 H ALA B 8 88.992 2.655 -9.324 1.00 0.00 H new ATOM 0 HA ALA B 8 86.209 3.023 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.938 0.832 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.342 0.852 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.585 0.922 -8.179 1.00 0.00 H new ATOM 1754 N LEU B 9 87.211 3.491 -6.784 1.00 0.00 N ATOM 1755 CA LEU B 9 86.778 4.126 -5.521 1.00 0.00 C ATOM 1756 C LEU B 9 86.310 5.513 -5.916 1.00 0.00 C ATOM 1757 O LEU B 9 85.248 5.970 -5.544 1.00 0.00 O ATOM 1758 CB LEU B 9 87.983 4.219 -4.577 1.00 0.00 C ATOM 1759 CG LEU B 9 87.672 5.064 -3.325 1.00 0.00 C ATOM 1760 CD1 LEU B 9 87.600 6.576 -3.643 1.00 0.00 C ATOM 1761 CD2 LEU B 9 86.356 4.593 -2.687 1.00 0.00 C ATOM 0 H LEU B 9 88.188 3.199 -6.817 1.00 0.00 H new ATOM 0 HA LEU B 9 85.992 3.569 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.283 3.216 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.828 4.657 -5.109 1.00 0.00 H new ATOM 0 HG LEU B 9 88.492 4.920 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU B 9 87.379 7.130 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU B 9 88.556 6.909 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.814 6.757 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU B 9 86.144 5.195 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 9 85.543 4.704 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU B 9 86.446 3.546 -2.399 1.00 0.00 H new ATOM 1773 N ASP B 10 87.109 6.170 -6.704 1.00 0.00 N ATOM 1774 CA ASP B 10 86.738 7.526 -7.182 1.00 0.00 C ATOM 1775 C ASP B 10 85.445 7.429 -8.004 1.00 0.00 C ATOM 1776 O ASP B 10 84.617 8.316 -7.971 1.00 0.00 O ATOM 1777 CB ASP B 10 87.864 8.112 -8.042 1.00 0.00 C ATOM 1778 CG ASP B 10 87.617 9.607 -8.251 1.00 0.00 C ATOM 1779 OD1 ASP B 10 86.531 10.057 -7.932 1.00 0.00 O ATOM 1780 OD2 ASP B 10 88.520 10.275 -8.728 1.00 0.00 O ATOM 0 H ASP B 10 88.008 5.824 -7.039 1.00 0.00 H new ATOM 0 HA ASP B 10 86.581 8.183 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.827 7.956 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.906 7.601 -9.004 1.00 0.00 H new ATOM 1785 N VAL B 11 85.255 6.360 -8.743 1.00 0.00 N ATOM 1786 CA VAL B 11 84.003 6.239 -9.553 1.00 0.00 C ATOM 1787 C VAL B 11 82.802 6.278 -8.604 1.00 0.00 C ATOM 1788 O VAL B 11 81.796 6.895 -8.890 1.00 0.00 O ATOM 1789 CB VAL B 11 83.991 4.918 -10.340 1.00 0.00 C ATOM 1790 CG1 VAL B 11 82.616 4.708 -10.983 1.00 0.00 C ATOM 1791 CG2 VAL B 11 85.059 4.955 -11.437 1.00 0.00 C ATOM 0 H VAL B 11 85.904 5.577 -8.819 1.00 0.00 H new ATOM 0 HA VAL B 11 83.954 7.063 -10.264 1.00 0.00 H new ATOM 0 HB VAL B 11 84.202 4.098 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.614 3.771 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.853 4.671 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL B 11 82.402 5.533 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL B 11 85.045 4.016 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.853 5.781 -12.118 1.00 0.00 H new ATOM 0 HG23 VAL B 11 86.041 5.095 -10.984 1.00 0.00 H new ATOM 1801 N MET B 12 82.903 5.635 -7.467 1.00 0.00 N ATOM 1802 CA MET B 12 81.763 5.657 -6.506 1.00 0.00 C ATOM 1803 C MET B 12 81.493 7.107 -6.110 1.00 0.00 C ATOM 1804 O MET B 12 80.366 7.551 -6.041 1.00 0.00 O ATOM 1805 CB MET B 12 82.130 4.860 -5.244 1.00 0.00 C ATOM 1806 CG MET B 12 80.882 4.675 -4.368 1.00 0.00 C ATOM 1807 SD MET B 12 81.381 4.386 -2.652 1.00 0.00 S ATOM 1808 CE MET B 12 82.598 3.092 -2.986 1.00 0.00 C ATOM 0 H MET B 12 83.719 5.101 -7.167 1.00 0.00 H new ATOM 0 HA MET B 12 80.882 5.213 -6.971 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.539 3.888 -5.522 1.00 0.00 H new ATOM 0 HB3 MET B 12 82.905 5.383 -4.684 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.248 5.560 -4.429 1.00 0.00 H new ATOM 0 HG3 MET B 12 80.291 3.834 -4.732 1.00 0.00 H new ATOM 0 HE1 MET B 12 82.765 2.508 -2.081 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.227 2.439 -3.776 1.00 0.00 H new ATOM 0 HE3 MET B 12 83.536 3.548 -3.302 1.00 0.00 H new ATOM 1818 N VAL B 13 82.530 7.841 -5.830 1.00 0.00 N ATOM 1819 CA VAL B 13 82.358 9.264 -5.421 1.00 0.00 C ATOM 1820 C VAL B 13 82.116 10.164 -6.640 1.00 0.00 C ATOM 1821 O VAL B 13 81.280 11.045 -6.612 1.00 0.00 O ATOM 1822 CB VAL B 13 83.625 9.735 -4.709 1.00 0.00 C ATOM 1823 CG1 VAL B 13 83.454 11.196 -4.285 1.00 0.00 C ATOM 1824 CG2 VAL B 13 83.879 8.861 -3.475 1.00 0.00 C ATOM 0 H VAL B 13 83.496 7.516 -5.866 1.00 0.00 H new ATOM 0 HA VAL B 13 81.494 9.330 -4.759 1.00 0.00 H new ATOM 0 HB VAL B 13 84.476 9.651 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL B 13 84.356 11.535 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL B 13 83.281 11.813 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL B 13 82.603 11.282 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL B 13 84.783 9.199 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL B 13 83.032 8.938 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL B 13 84.003 7.823 -3.784 1.00 0.00 H new ATOM 1834 N SER B 14 82.862 9.974 -7.696 1.00 0.00 N ATOM 1835 CA SER B 14 82.693 10.849 -8.894 1.00 0.00 C ATOM 1836 C SER B 14 81.274 10.737 -9.442 1.00 0.00 C ATOM 1837 O SER B 14 80.666 11.723 -9.815 1.00 0.00 O ATOM 1838 CB SER B 14 83.681 10.424 -9.979 1.00 0.00 C ATOM 1839 OG SER B 14 85.000 10.766 -9.573 1.00 0.00 O ATOM 0 H SER B 14 83.579 9.253 -7.781 1.00 0.00 H new ATOM 0 HA SER B 14 82.881 11.882 -8.600 1.00 0.00 H new ATOM 0 HB2 SER B 14 83.608 9.350 -10.153 1.00 0.00 H new ATOM 0 HB3 SER B 14 83.439 10.916 -10.921 1.00 0.00 H new ATOM 0 HG SER B 14 85.343 10.080 -8.963 1.00 0.00 H new ATOM 1845 N THR B 15 80.728 9.558 -9.496 1.00 0.00 N ATOM 1846 CA THR B 15 79.343 9.426 -10.021 1.00 0.00 C ATOM 1847 C THR B 15 78.390 10.165 -9.079 1.00 0.00 C ATOM 1848 O THR B 15 77.470 10.832 -9.499 1.00 0.00 O ATOM 1849 CB THR B 15 78.978 7.933 -10.118 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.963 7.759 -11.098 1.00 0.00 O ATOM 1851 CG2 THR B 15 78.484 7.395 -8.769 1.00 0.00 C ATOM 0 H THR B 15 81.174 8.688 -9.203 1.00 0.00 H new ATOM 0 HA THR B 15 79.264 9.863 -11.016 1.00 0.00 H new ATOM 0 HB THR B 15 79.872 7.378 -10.401 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.667 6.825 -11.100 1.00 0.00 H new ATOM 0 HG21 THR B 15 78.234 6.339 -8.868 1.00 0.00 H new ATOM 0 HG22 THR B 15 79.268 7.514 -8.021 1.00 0.00 H new ATOM 0 HG23 THR B 15 77.599 7.950 -8.458 1.00 0.00 H new ATOM 1859 N PHE B 16 78.623 10.034 -7.804 1.00 0.00 N ATOM 1860 CA PHE B 16 77.755 10.689 -6.779 1.00 0.00 C ATOM 1861 C PHE B 16 77.760 12.210 -6.961 1.00 0.00 C ATOM 1862 O PHE B 16 76.747 12.864 -6.815 1.00 0.00 O ATOM 1863 CB PHE B 16 78.317 10.360 -5.394 1.00 0.00 C ATOM 1864 CG PHE B 16 77.473 10.996 -4.316 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.654 12.346 -3.988 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.515 10.234 -3.636 1.00 0.00 C ATOM 1867 CE1 PHE B 16 76.877 12.932 -2.982 1.00 0.00 C ATOM 1868 CE2 PHE B 16 75.740 10.819 -2.629 1.00 0.00 C ATOM 1869 CZ PHE B 16 75.921 12.168 -2.302 1.00 0.00 C ATOM 0 H PHE B 16 79.394 9.489 -7.418 1.00 0.00 H new ATOM 0 HA PHE B 16 76.733 10.324 -6.887 1.00 0.00 H new ATOM 0 HB2 PHE B 16 78.344 9.279 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE B 16 79.344 10.717 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE B 16 78.393 12.934 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.374 9.194 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE B 16 77.015 13.973 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.002 10.230 -2.104 1.00 0.00 H new ATOM 0 HZ PHE B 16 75.323 12.620 -1.525 1.00 0.00 H new ATOM 1879 N HIS B 17 78.892 12.777 -7.259 1.00 0.00 N ATOM 1880 CA HIS B 17 78.965 14.255 -7.428 1.00 0.00 C ATOM 1881 C HIS B 17 78.221 14.677 -8.692 1.00 0.00 C ATOM 1882 O HIS B 17 77.729 15.783 -8.785 1.00 0.00 O ATOM 1883 CB HIS B 17 80.426 14.693 -7.531 1.00 0.00 C ATOM 1884 CG HIS B 17 80.506 16.186 -7.383 1.00 0.00 C ATOM 1885 ND1 HIS B 17 80.289 16.819 -6.167 1.00 0.00 N ATOM 1886 CD2 HIS B 17 80.764 17.188 -8.286 1.00 0.00 C ATOM 1887 CE1 HIS B 17 80.418 18.143 -6.368 1.00 0.00 C ATOM 1888 NE2 HIS B 17 80.707 18.419 -7.642 1.00 0.00 N ATOM 0 H HIS B 17 79.773 12.281 -7.394 1.00 0.00 H new ATOM 0 HA HIS B 17 78.501 14.730 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS B 17 81.019 14.207 -6.757 1.00 0.00 H new ATOM 0 HB3 HIS B 17 80.843 14.388 -8.491 1.00 0.00 H new ATOM 0 HD2 HIS B 17 80.978 17.042 -9.334 1.00 0.00 H new ATOM 0 HE1 HIS B 17 80.302 18.889 -5.596 1.00 0.00 H new ATOM 0 HE2 HIS B 17 80.855 19.339 -8.056 1.00 0.00 H new ATOM 1897 N LYS B 18 78.129 13.819 -9.670 1.00 0.00 N ATOM 1898 CA LYS B 18 77.407 14.214 -10.905 1.00 0.00 C ATOM 1899 C LYS B 18 75.978 14.552 -10.506 1.00 0.00 C ATOM 1900 O LYS B 18 75.407 15.522 -10.962 1.00 0.00 O ATOM 1901 CB LYS B 18 77.410 13.057 -11.909 1.00 0.00 C ATOM 1902 CG LYS B 18 78.840 12.782 -12.401 1.00 0.00 C ATOM 1903 CD LYS B 18 79.250 13.805 -13.468 1.00 0.00 C ATOM 1904 CE LYS B 18 80.606 13.406 -14.054 1.00 0.00 C ATOM 1905 NZ LYS B 18 81.665 13.599 -13.022 1.00 0.00 N ATOM 0 H LYS B 18 78.517 12.876 -9.666 1.00 0.00 H new ATOM 0 HA LYS B 18 77.890 15.071 -11.375 1.00 0.00 H new ATOM 0 HB2 LYS B 18 77.000 12.161 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS B 18 76.767 13.299 -12.755 1.00 0.00 H new ATOM 0 HG2 LYS B 18 79.534 12.826 -11.562 1.00 0.00 H new ATOM 0 HG3 LYS B 18 78.901 11.775 -12.813 1.00 0.00 H new ATOM 0 HD2 LYS B 18 78.498 13.847 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS B 18 79.309 14.801 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS B 18 80.583 12.365 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS B 18 80.826 14.009 -14.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 82.602 13.527 -13.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 81.560 14.538 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 81.573 12.867 -12.289 1.00 0.00 H new ATOM 1919 N TYR B 19 75.412 13.786 -9.615 1.00 0.00 N ATOM 1920 CA TYR B 19 74.036 14.109 -9.149 1.00 0.00 C ATOM 1921 C TYR B 19 74.127 15.375 -8.309 1.00 0.00 C ATOM 1922 O TYR B 19 73.230 16.189 -8.289 1.00 0.00 O ATOM 1923 CB TYR B 19 73.482 12.951 -8.313 1.00 0.00 C ATOM 1924 CG TYR B 19 73.267 11.767 -9.220 1.00 0.00 C ATOM 1925 CD1 TYR B 19 74.346 10.945 -9.523 1.00 0.00 C ATOM 1926 CD2 TYR B 19 72.005 11.501 -9.767 1.00 0.00 C ATOM 1927 CE1 TYR B 19 74.185 9.853 -10.379 1.00 0.00 C ATOM 1928 CE2 TYR B 19 71.832 10.403 -10.621 1.00 0.00 C ATOM 1929 CZ TYR B 19 72.928 9.580 -10.930 1.00 0.00 C ATOM 1930 OH TYR B 19 72.770 8.502 -11.776 1.00 0.00 O ATOM 0 H TYR B 19 75.837 12.960 -9.194 1.00 0.00 H new ATOM 0 HA TYR B 19 73.365 14.261 -9.994 1.00 0.00 H new ATOM 0 HB2 TYR B 19 74.177 12.694 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR B 19 72.544 13.241 -7.839 1.00 0.00 H new ATOM 0 HD1 TYR B 19 75.315 11.152 -9.094 1.00 0.00 H new ATOM 0 HD2 TYR B 19 71.167 12.141 -9.531 1.00 0.00 H new ATOM 0 HE1 TYR B 19 75.028 9.221 -10.615 1.00 0.00 H new ATOM 0 HE2 TYR B 19 70.860 10.190 -11.040 1.00 0.00 H new ATOM 0 HH TYR B 19 73.546 7.909 -11.699 1.00 0.00 H new ATOM 1940 N SER B 20 75.216 15.548 -7.610 1.00 0.00 N ATOM 1941 CA SER B 20 75.375 16.764 -6.765 1.00 0.00 C ATOM 1942 C SER B 20 74.133 16.933 -5.895 1.00 0.00 C ATOM 1943 O SER B 20 73.945 17.947 -5.258 1.00 0.00 O ATOM 1944 CB SER B 20 75.541 17.993 -7.659 1.00 0.00 C ATOM 1945 OG SER B 20 76.822 17.961 -8.273 1.00 0.00 O ATOM 0 H SER B 20 76.002 14.899 -7.588 1.00 0.00 H new ATOM 0 HA SER B 20 76.257 16.657 -6.133 1.00 0.00 H new ATOM 0 HB2 SER B 20 74.761 18.010 -8.420 1.00 0.00 H new ATOM 0 HB3 SER B 20 75.431 18.903 -7.069 1.00 0.00 H new ATOM 0 HG SER B 20 76.945 17.102 -8.728 1.00 0.00 H new ATOM 1951 N GLY B 21 73.279 15.948 -5.874 1.00 0.00 N ATOM 1952 CA GLY B 21 72.043 16.058 -5.050 1.00 0.00 C ATOM 1953 C GLY B 21 71.103 17.081 -5.691 1.00 0.00 C ATOM 1954 O GLY B 21 70.888 18.158 -5.172 1.00 0.00 O ATOM 0 H GLY B 21 73.383 15.074 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY B 21 71.551 15.088 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY B 21 72.294 16.363 -4.034 1.00 0.00 H new ATOM 1958 N LYS B 22 70.545 16.748 -6.821 1.00 0.00 N ATOM 1959 CA LYS B 22 69.623 17.691 -7.512 1.00 0.00 C ATOM 1960 C LYS B 22 68.434 18.003 -6.599 1.00 0.00 C ATOM 1961 O LYS B 22 67.979 19.127 -6.522 1.00 0.00 O ATOM 1962 CB LYS B 22 69.133 17.034 -8.805 1.00 0.00 C ATOM 1963 CG LYS B 22 70.302 16.956 -9.803 1.00 0.00 C ATOM 1964 CD LYS B 22 70.015 15.923 -10.906 1.00 0.00 C ATOM 1965 CE LYS B 22 69.863 14.511 -10.306 1.00 0.00 C ATOM 1966 NZ LYS B 22 70.629 14.415 -9.030 1.00 0.00 N ATOM 0 H LYS B 22 70.689 15.858 -7.298 1.00 0.00 H new ATOM 0 HA LYS B 22 70.140 18.622 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS B 22 68.748 16.036 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS B 22 68.312 17.610 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS B 22 70.469 17.936 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS B 22 71.218 16.687 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS B 22 69.104 16.197 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS B 22 70.825 15.928 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS B 22 68.810 14.295 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS B 22 70.224 13.765 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 70.897 13.425 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 71.486 15.000 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 70.038 14.753 -8.244 1.00 0.00 H new ATOM 1980 N GLU B 23 67.935 17.013 -5.902 1.00 0.00 N ATOM 1981 CA GLU B 23 66.778 17.234 -4.979 1.00 0.00 C ATOM 1982 C GLU B 23 67.264 17.263 -3.532 1.00 0.00 C ATOM 1983 O GLU B 23 68.091 16.471 -3.126 1.00 0.00 O ATOM 1984 CB GLU B 23 65.777 16.092 -5.144 1.00 0.00 C ATOM 1985 CG GLU B 23 65.093 16.221 -6.500 1.00 0.00 C ATOM 1986 CD GLU B 23 64.099 15.074 -6.685 1.00 0.00 C ATOM 1987 OE1 GLU B 23 63.880 14.346 -5.732 1.00 0.00 O ATOM 1988 OE2 GLU B 23 63.567 14.948 -7.776 1.00 0.00 O ATOM 0 H GLU B 23 68.282 16.054 -5.933 1.00 0.00 H new ATOM 0 HA GLU B 23 66.304 18.185 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU B 23 66.287 15.131 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU B 23 65.036 16.123 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU B 23 64.576 17.178 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU B 23 65.837 16.203 -7.297 1.00 0.00 H new ATOM 1995 N GLY B 24 66.747 18.168 -2.750 1.00 0.00 N ATOM 1996 CA GLY B 24 67.165 18.248 -1.324 1.00 0.00 C ATOM 1997 C GLY B 24 68.539 18.913 -1.223 1.00 0.00 C ATOM 1998 O GLY B 24 68.963 19.618 -2.117 1.00 0.00 O ATOM 0 H GLY B 24 66.052 18.857 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY B 24 66.432 18.818 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY B 24 67.202 17.249 -0.890 1.00 0.00 H new ATOM 2002 N ASP B 25 69.248 18.688 -0.147 1.00 0.00 N ATOM 2003 CA ASP B 25 70.596 19.306 -0.011 1.00 0.00 C ATOM 2004 C ASP B 25 71.465 18.819 -1.158 1.00 0.00 C ATOM 2005 O ASP B 25 71.428 17.666 -1.537 1.00 0.00 O ATOM 2006 CB ASP B 25 71.219 18.896 1.327 1.00 0.00 C ATOM 2007 CG ASP B 25 70.538 19.661 2.465 1.00 0.00 C ATOM 2008 OD1 ASP B 25 70.015 20.732 2.206 1.00 0.00 O ATOM 2009 OD2 ASP B 25 70.551 19.162 3.577 1.00 0.00 O ATOM 0 H ASP B 25 68.952 18.107 0.637 1.00 0.00 H new ATOM 0 HA ASP B 25 70.516 20.393 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP B 25 71.107 17.822 1.478 1.00 0.00 H new ATOM 0 HB3 ASP B 25 72.288 19.107 1.322 1.00 0.00 H new ATOM 2014 N LYS B 26 72.237 19.696 -1.727 1.00 0.00 N ATOM 2015 CA LYS B 26 73.095 19.295 -2.866 1.00 0.00 C ATOM 2016 C LYS B 26 74.320 18.567 -2.333 1.00 0.00 C ATOM 2017 O LYS B 26 75.061 17.949 -3.071 1.00 0.00 O ATOM 2018 CB LYS B 26 73.525 20.543 -3.631 1.00 0.00 C ATOM 2019 CG LYS B 26 72.308 21.141 -4.336 1.00 0.00 C ATOM 2020 CD LYS B 26 72.703 22.431 -5.066 1.00 0.00 C ATOM 2021 CE LYS B 26 73.688 22.122 -6.205 1.00 0.00 C ATOM 2022 NZ LYS B 26 75.080 22.108 -5.673 1.00 0.00 N ATOM 0 H LYS B 26 72.310 20.675 -1.451 1.00 0.00 H new ATOM 0 HA LYS B 26 72.545 18.634 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 26 73.959 21.272 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS B 26 74.295 20.291 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS B 26 71.900 20.422 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS B 26 71.524 21.351 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS B 26 71.813 22.916 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS B 26 73.157 23.130 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS B 26 73.450 21.158 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS B 26 73.596 22.871 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 75.658 22.796 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 75.069 22.360 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 75.486 21.157 -5.787 1.00 0.00 H new ATOM 2036 N PHE B 27 74.537 18.628 -1.051 1.00 0.00 N ATOM 2037 CA PHE B 27 75.719 17.934 -0.462 1.00 0.00 C ATOM 2038 C PHE B 27 75.300 16.530 -0.017 1.00 0.00 C ATOM 2039 O PHE B 27 76.097 15.764 0.487 1.00 0.00 O ATOM 2040 CB PHE B 27 76.218 18.731 0.747 1.00 0.00 C ATOM 2041 CG PHE B 27 76.592 20.126 0.303 1.00 0.00 C ATOM 2042 CD1 PHE B 27 77.895 20.406 -0.126 1.00 0.00 C ATOM 2043 CD2 PHE B 27 75.627 21.140 0.319 1.00 0.00 C ATOM 2044 CE1 PHE B 27 78.232 21.701 -0.540 1.00 0.00 C ATOM 2045 CE2 PHE B 27 75.963 22.433 -0.093 1.00 0.00 C ATOM 2046 CZ PHE B 27 77.266 22.715 -0.523 1.00 0.00 C ATOM 0 H PHE B 27 73.949 19.127 -0.384 1.00 0.00 H new ATOM 0 HA PHE B 27 76.517 17.860 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE B 27 75.444 18.776 1.513 1.00 0.00 H new ATOM 0 HB3 PHE B 27 77.080 18.235 1.194 1.00 0.00 H new ATOM 0 HD1 PHE B 27 78.640 19.624 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE B 27 74.622 20.923 0.650 1.00 0.00 H new ATOM 0 HE1 PHE B 27 79.237 21.918 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE B 27 75.218 23.215 -0.080 1.00 0.00 H new ATOM 0 HZ PHE B 27 77.526 23.714 -0.841 1.00 0.00 H new ATOM 2056 N LYS B 28 74.044 16.195 -0.192 1.00 0.00 N ATOM 2057 CA LYS B 28 73.544 14.842 0.227 1.00 0.00 C ATOM 2058 C LYS B 28 72.534 14.337 -0.809 1.00 0.00 C ATOM 2059 O LYS B 28 72.140 15.066 -1.698 1.00 0.00 O ATOM 2060 CB LYS B 28 72.840 14.942 1.587 1.00 0.00 C ATOM 2061 CG LYS B 28 73.784 15.498 2.666 1.00 0.00 C ATOM 2062 CD LYS B 28 74.850 14.466 3.050 1.00 0.00 C ATOM 2063 CE LYS B 28 75.680 15.014 4.212 1.00 0.00 C ATOM 2064 NZ LYS B 28 76.717 14.016 4.594 1.00 0.00 N ATOM 0 H LYS B 28 73.338 16.802 -0.609 1.00 0.00 H new ATOM 0 HA LYS B 28 74.389 14.157 0.301 1.00 0.00 H new ATOM 0 HB2 LYS B 28 71.965 15.586 1.499 1.00 0.00 H new ATOM 0 HB3 LYS B 28 72.482 13.957 1.887 1.00 0.00 H new ATOM 0 HG2 LYS B 28 74.266 16.405 2.300 1.00 0.00 H new ATOM 0 HG3 LYS B 28 73.209 15.777 3.549 1.00 0.00 H new ATOM 0 HD2 LYS B 28 74.378 13.526 3.335 1.00 0.00 H new ATOM 0 HD3 LYS B 28 75.493 14.253 2.196 1.00 0.00 H new ATOM 0 HE2 LYS B 28 76.152 15.953 3.925 1.00 0.00 H new ATOM 0 HE3 LYS B 28 75.035 15.229 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 77.617 14.504 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 76.415 13.512 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 76.844 13.334 3.819 1.00 0.00 H new ATOM 2078 N LEU B 29 72.108 13.095 -0.697 1.00 0.00 N ATOM 2079 CA LEU B 29 71.110 12.533 -1.675 1.00 0.00 C ATOM 2080 C LEU B 29 69.848 12.107 -0.908 1.00 0.00 C ATOM 2081 O LEU B 29 69.852 11.990 0.302 1.00 0.00 O ATOM 2082 CB LEU B 29 71.727 11.315 -2.415 1.00 0.00 C ATOM 2083 CG LEU B 29 71.941 11.619 -3.906 1.00 0.00 C ATOM 2084 CD1 LEU B 29 73.084 12.630 -4.081 1.00 0.00 C ATOM 2085 CD2 LEU B 29 72.283 10.311 -4.632 1.00 0.00 C ATOM 0 H LEU B 29 72.408 12.446 0.030 1.00 0.00 H new ATOM 0 HA LEU B 29 70.847 13.290 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU B 29 72.679 11.051 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU B 29 71.071 10.451 -2.308 1.00 0.00 H new ATOM 0 HG LEU B 29 71.032 12.049 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.227 12.838 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU B 29 72.835 13.555 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU B 29 74.003 12.216 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU B 29 72.437 10.513 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU B 29 73.192 9.886 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU B 29 71.462 9.604 -4.513 1.00 0.00 H new ATOM 2097 N ASN B 30 68.768 11.889 -1.615 1.00 0.00 N ATOM 2098 CA ASN B 30 67.485 11.481 -0.965 1.00 0.00 C ATOM 2099 C ASN B 30 67.238 9.980 -1.192 1.00 0.00 C ATOM 2100 O ASN B 30 67.483 9.449 -2.254 1.00 0.00 O ATOM 2101 CB ASN B 30 66.348 12.302 -1.583 1.00 0.00 C ATOM 2102 CG ASN B 30 65.134 12.304 -0.656 1.00 0.00 C ATOM 2103 OD1 ASN B 30 65.267 12.457 0.542 1.00 0.00 O ATOM 2104 ND2 ASN B 30 63.946 12.139 -1.167 1.00 0.00 N ATOM 0 H ASN B 30 68.720 11.978 -2.630 1.00 0.00 H new ATOM 0 HA ASN B 30 67.533 11.663 0.109 1.00 0.00 H new ATOM 0 HB2 ASN B 30 66.682 13.325 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN B 30 66.074 11.885 -2.552 1.00 0.00 H new ATOM 0 HD21 ASN B 30 63.126 12.138 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN B 30 63.837 12.011 -2.173 1.00 0.00 H new ATOM 2111 N LYS B 31 66.763 9.302 -0.186 1.00 0.00 N ATOM 2112 CA LYS B 31 66.502 7.835 -0.295 1.00 0.00 C ATOM 2113 C LYS B 31 65.835 7.505 -1.621 1.00 0.00 C ATOM 2114 O LYS B 31 66.083 6.486 -2.209 1.00 0.00 O ATOM 2115 CB LYS B 31 65.595 7.380 0.866 1.00 0.00 C ATOM 2116 CG LYS B 31 64.170 7.956 0.749 1.00 0.00 C ATOM 2117 CD LYS B 31 64.198 9.484 0.853 1.00 0.00 C ATOM 2118 CE LYS B 31 62.814 10.007 1.262 1.00 0.00 C ATOM 2119 NZ LYS B 31 61.836 9.725 0.173 1.00 0.00 N ATOM 0 H LYS B 31 66.540 9.707 0.723 1.00 0.00 H new ATOM 0 HA LYS B 31 67.455 7.309 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS B 31 65.545 6.291 0.881 1.00 0.00 H new ATOM 0 HB3 LYS B 31 66.035 7.692 1.813 1.00 0.00 H new ATOM 0 HG2 LYS B 31 63.728 7.659 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS B 31 63.539 7.544 1.536 1.00 0.00 H new ATOM 0 HD2 LYS B 31 64.944 9.793 1.585 1.00 0.00 H new ATOM 0 HD3 LYS B 31 64.491 9.917 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS B 31 62.492 9.530 2.188 1.00 0.00 H new ATOM 0 HE3 LYS B 31 62.861 11.079 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 61.197 10.538 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 62.346 9.561 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 61.282 8.879 0.415 1.00 0.00 H new ATOM 2133 N SER B 32 65.001 8.352 -2.109 1.00 0.00 N ATOM 2134 CA SER B 32 64.354 8.043 -3.399 1.00 0.00 C ATOM 2135 C SER B 32 65.454 7.897 -4.434 1.00 0.00 C ATOM 2136 O SER B 32 65.419 7.029 -5.284 1.00 0.00 O ATOM 2137 CB SER B 32 63.399 9.151 -3.809 1.00 0.00 C ATOM 2138 OG SER B 32 62.275 9.146 -2.939 1.00 0.00 O ATOM 0 H SER B 32 64.737 9.239 -1.680 1.00 0.00 H new ATOM 0 HA SER B 32 63.772 7.125 -3.314 1.00 0.00 H new ATOM 0 HB2 SER B 32 63.903 10.116 -3.765 1.00 0.00 H new ATOM 0 HB3 SER B 32 63.076 9.006 -4.840 1.00 0.00 H new ATOM 0 HG SER B 32 61.657 9.861 -3.199 1.00 0.00 H new ATOM 2144 N GLU B 33 66.452 8.731 -4.347 1.00 0.00 N ATOM 2145 CA GLU B 33 67.574 8.624 -5.306 1.00 0.00 C ATOM 2146 C GLU B 33 68.144 7.237 -5.176 1.00 0.00 C ATOM 2147 O GLU B 33 68.714 6.708 -6.101 1.00 0.00 O ATOM 2148 CB GLU B 33 68.647 9.673 -4.998 1.00 0.00 C ATOM 2149 CG GLU B 33 68.042 11.075 -5.115 1.00 0.00 C ATOM 2150 CD GLU B 33 67.615 11.332 -6.561 1.00 0.00 C ATOM 2151 OE1 GLU B 33 68.473 11.282 -7.428 1.00 0.00 O ATOM 2152 OE2 GLU B 33 66.441 11.578 -6.776 1.00 0.00 O ATOM 0 H GLU B 33 66.535 9.476 -3.656 1.00 0.00 H new ATOM 0 HA GLU B 33 67.225 8.803 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU B 33 69.043 9.519 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU B 33 69.483 9.567 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU B 33 67.183 11.168 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU B 33 68.770 11.823 -4.802 1.00 0.00 H new ATOM 2159 N LEU B 34 67.967 6.609 -4.049 1.00 0.00 N ATOM 2160 CA LEU B 34 68.493 5.224 -3.946 1.00 0.00 C ATOM 2161 C LEU B 34 67.802 4.403 -5.019 1.00 0.00 C ATOM 2162 O LEU B 34 68.416 3.594 -5.677 1.00 0.00 O ATOM 2163 CB LEU B 34 68.216 4.630 -2.546 1.00 0.00 C ATOM 2164 CG LEU B 34 68.729 3.175 -2.400 1.00 0.00 C ATOM 2165 CD1 LEU B 34 67.780 2.160 -3.100 1.00 0.00 C ATOM 2166 CD2 LEU B 34 70.136 3.050 -2.982 1.00 0.00 C ATOM 0 H LEU B 34 67.498 6.979 -3.222 1.00 0.00 H new ATOM 0 HA LEU B 34 69.574 5.216 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU B 34 68.691 5.256 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU B 34 67.144 4.654 -2.352 1.00 0.00 H new ATOM 0 HG LEU B 34 68.752 2.940 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU B 34 68.172 1.150 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU B 34 66.788 2.221 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU B 34 67.714 2.396 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU B 34 70.485 2.023 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU B 34 70.118 3.317 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU B 34 70.811 3.721 -2.450 1.00 0.00 H new ATOM 2178 N LYS B 35 66.531 4.619 -5.222 1.00 0.00 N ATOM 2179 CA LYS B 35 65.834 3.850 -6.284 1.00 0.00 C ATOM 2180 C LYS B 35 66.236 4.390 -7.657 1.00 0.00 C ATOM 2181 O LYS B 35 66.626 3.646 -8.537 1.00 0.00 O ATOM 2182 CB LYS B 35 64.321 3.982 -6.100 1.00 0.00 C ATOM 2183 CG LYS B 35 63.596 3.116 -7.129 1.00 0.00 C ATOM 2184 CD LYS B 35 62.090 3.261 -6.929 1.00 0.00 C ATOM 2185 CE LYS B 35 61.357 2.319 -7.880 1.00 0.00 C ATOM 2186 NZ LYS B 35 61.602 2.740 -9.289 1.00 0.00 N ATOM 0 H LYS B 35 65.955 5.284 -4.706 1.00 0.00 H new ATOM 0 HA LYS B 35 66.116 2.799 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS B 35 64.040 3.677 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS B 35 64.021 5.024 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.873 3.420 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.892 2.073 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS B 35 61.826 3.031 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.785 4.291 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS B 35 61.701 1.295 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS B 35 60.288 2.330 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 60.905 2.285 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 61.511 3.773 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 62.561 2.455 -9.575 1.00 0.00 H new ATOM 2200 N GLU B 36 66.142 5.678 -7.857 1.00 0.00 N ATOM 2201 CA GLU B 36 66.517 6.245 -9.184 1.00 0.00 C ATOM 2202 C GLU B 36 68.002 6.055 -9.444 1.00 0.00 C ATOM 2203 O GLU B 36 68.403 5.766 -10.550 1.00 0.00 O ATOM 2204 CB GLU B 36 66.172 7.744 -9.241 1.00 0.00 C ATOM 2205 CG GLU B 36 66.757 8.386 -10.512 1.00 0.00 C ATOM 2206 CD GLU B 36 66.218 9.810 -10.661 1.00 0.00 C ATOM 2207 OE1 GLU B 36 65.468 10.233 -9.797 1.00 0.00 O ATOM 2208 OE2 GLU B 36 66.566 10.453 -11.637 1.00 0.00 O ATOM 0 H GLU B 36 65.824 6.357 -7.165 1.00 0.00 H new ATOM 0 HA GLU B 36 65.952 5.717 -9.952 1.00 0.00 H new ATOM 0 HB2 GLU B 36 65.090 7.875 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU B 36 66.566 8.247 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU B 36 67.845 8.402 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU B 36 66.492 7.792 -11.387 1.00 0.00 H new ATOM 2215 N LEU B 37 68.832 6.229 -8.460 1.00 0.00 N ATOM 2216 CA LEU B 37 70.278 6.066 -8.722 1.00 0.00 C ATOM 2217 C LEU B 37 70.563 4.614 -9.043 1.00 0.00 C ATOM 2218 O LEU B 37 71.351 4.301 -9.913 1.00 0.00 O ATOM 2219 CB LEU B 37 71.079 6.504 -7.486 1.00 0.00 C ATOM 2220 CG LEU B 37 72.591 6.349 -7.724 1.00 0.00 C ATOM 2221 CD1 LEU B 37 73.030 7.225 -8.904 1.00 0.00 C ATOM 2222 CD2 LEU B 37 73.354 6.777 -6.454 1.00 0.00 C ATOM 0 H LEU B 37 68.576 6.473 -7.503 1.00 0.00 H new ATOM 0 HA LEU B 37 70.573 6.686 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.849 7.543 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU B 37 70.780 5.907 -6.624 1.00 0.00 H new ATOM 0 HG LEU B 37 72.813 5.307 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU B 37 74.102 7.109 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU B 37 72.493 6.921 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.807 8.269 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU B 37 74.426 6.668 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU B 37 73.126 7.818 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU B 37 73.050 6.147 -5.618 1.00 0.00 H new ATOM 2234 N LEU B 38 69.934 3.719 -8.347 1.00 0.00 N ATOM 2235 CA LEU B 38 70.194 2.271 -8.631 1.00 0.00 C ATOM 2236 C LEU B 38 69.425 1.853 -9.873 1.00 0.00 C ATOM 2237 O LEU B 38 69.913 1.111 -10.701 1.00 0.00 O ATOM 2238 CB LEU B 38 69.775 1.401 -7.431 1.00 0.00 C ATOM 2239 CG LEU B 38 70.856 1.402 -6.320 1.00 0.00 C ATOM 2240 CD1 LEU B 38 71.932 0.354 -6.634 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.516 2.788 -6.178 1.00 0.00 C ATOM 0 H LEU B 38 69.261 3.912 -7.605 1.00 0.00 H new ATOM 0 HA LEU B 38 71.261 2.129 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.834 1.771 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU B 38 69.598 0.379 -7.766 1.00 0.00 H new ATOM 0 HG LEU B 38 70.365 1.157 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU B 38 72.687 0.362 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU B 38 71.474 -0.633 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU B 38 72.400 0.589 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU B 38 72.269 2.754 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.989 3.064 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU B 38 70.757 3.528 -5.922 1.00 0.00 H new ATOM 2253 N THR B 39 68.223 2.315 -10.001 1.00 0.00 N ATOM 2254 CA THR B 39 67.411 1.936 -11.176 1.00 0.00 C ATOM 2255 C THR B 39 68.083 2.402 -12.472 1.00 0.00 C ATOM 2256 O THR B 39 68.053 1.704 -13.465 1.00 0.00 O ATOM 2257 CB THR B 39 66.020 2.562 -11.057 1.00 0.00 C ATOM 2258 OG1 THR B 39 65.395 2.089 -9.871 1.00 0.00 O ATOM 2259 CG2 THR B 39 65.177 2.156 -12.265 1.00 0.00 C ATOM 0 H THR B 39 67.765 2.942 -9.339 1.00 0.00 H new ATOM 0 HA THR B 39 67.323 0.850 -11.206 1.00 0.00 H new ATOM 0 HB THR B 39 66.109 3.648 -11.020 1.00 0.00 H new ATOM 0 HG1 THR B 39 65.921 2.365 -9.092 1.00 0.00 H new ATOM 0 HG21 THR B 39 64.185 2.601 -12.183 1.00 0.00 H new ATOM 0 HG22 THR B 39 65.657 2.507 -13.178 1.00 0.00 H new ATOM 0 HG23 THR B 39 65.086 1.070 -12.297 1.00 0.00 H new ATOM 2267 N ARG B 40 68.666 3.581 -12.501 1.00 0.00 N ATOM 2268 CA ARG B 40 69.292 4.053 -13.778 1.00 0.00 C ATOM 2269 C ARG B 40 70.762 3.638 -13.841 1.00 0.00 C ATOM 2270 O ARG B 40 71.306 3.427 -14.907 1.00 0.00 O ATOM 2271 CB ARG B 40 69.164 5.576 -13.870 1.00 0.00 C ATOM 2272 CG ARG B 40 70.202 6.261 -12.977 1.00 0.00 C ATOM 2273 CD ARG B 40 69.832 7.733 -12.814 1.00 0.00 C ATOM 2274 NE ARG B 40 69.964 8.435 -14.122 1.00 0.00 N ATOM 2275 CZ ARG B 40 69.394 9.595 -14.295 1.00 0.00 C ATOM 2276 NH1 ARG B 40 68.708 10.133 -13.325 1.00 0.00 N ATOM 2277 NH2 ARG B 40 69.504 10.214 -15.438 1.00 0.00 N ATOM 0 H ARG B 40 68.734 4.224 -11.712 1.00 0.00 H new ATOM 0 HA ARG B 40 68.775 3.595 -14.621 1.00 0.00 H new ATOM 0 HB2 ARG B 40 69.298 5.895 -14.903 1.00 0.00 H new ATOM 0 HB3 ARG B 40 68.161 5.880 -13.570 1.00 0.00 H new ATOM 0 HG2 ARG B 40 70.240 5.773 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG B 40 71.195 6.170 -13.418 1.00 0.00 H new ATOM 0 HD2 ARG B 40 68.810 7.822 -12.445 1.00 0.00 H new ATOM 0 HD3 ARG B 40 70.480 8.200 -12.073 1.00 0.00 H new ATOM 0 HE ARG B 40 70.498 8.009 -14.879 1.00 0.00 H new ATOM 0 HH11 ARG B 40 68.618 9.646 -12.433 1.00 0.00 H new ATOM 0 HH12 ARG B 40 68.261 11.040 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG B 40 70.036 9.791 -16.198 1.00 0.00 H new ATOM 0 HH22 ARG B 40 69.058 11.121 -15.572 1.00 0.00 H new ATOM 2291 N GLU B 41 71.411 3.526 -12.714 1.00 0.00 N ATOM 2292 CA GLU B 41 72.856 3.130 -12.713 1.00 0.00 C ATOM 2293 C GLU B 41 72.951 1.647 -12.401 1.00 0.00 C ATOM 2294 O GLU B 41 74.021 1.074 -12.343 1.00 0.00 O ATOM 2295 CB GLU B 41 73.607 3.952 -11.654 1.00 0.00 C ATOM 2296 CG GLU B 41 75.111 3.953 -11.952 1.00 0.00 C ATOM 2297 CD GLU B 41 75.808 4.954 -11.028 1.00 0.00 C ATOM 2298 OE1 GLU B 41 75.123 5.570 -10.229 1.00 0.00 O ATOM 2299 OE2 GLU B 41 77.016 5.085 -11.133 1.00 0.00 O ATOM 0 H GLU B 41 71.007 3.691 -11.792 1.00 0.00 H new ATOM 0 HA GLU B 41 73.306 3.323 -13.687 1.00 0.00 H new ATOM 0 HB2 GLU B 41 73.231 4.975 -11.643 1.00 0.00 H new ATOM 0 HB3 GLU B 41 73.426 3.535 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU B 41 75.524 2.955 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU B 41 75.287 4.219 -12.994 1.00 0.00 H new ATOM 2306 N LEU B 42 71.831 1.017 -12.208 1.00 0.00 N ATOM 2307 CA LEU B 42 71.839 -0.436 -11.909 1.00 0.00 C ATOM 2308 C LEU B 42 70.421 -0.988 -12.209 1.00 0.00 C ATOM 2309 O LEU B 42 69.609 -1.139 -11.318 1.00 0.00 O ATOM 2310 CB LEU B 42 72.230 -0.621 -10.415 1.00 0.00 C ATOM 2311 CG LEU B 42 73.481 -1.510 -10.270 1.00 0.00 C ATOM 2312 CD1 LEU B 42 74.059 -1.352 -8.859 1.00 0.00 C ATOM 2313 CD2 LEU B 42 73.101 -2.980 -10.509 1.00 0.00 C ATOM 0 H LEU B 42 70.907 1.448 -12.245 1.00 0.00 H new ATOM 0 HA LEU B 42 72.560 -0.980 -12.519 1.00 0.00 H new ATOM 0 HB2 LEU B 42 72.419 0.353 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.398 -1.069 -9.872 1.00 0.00 H new ATOM 0 HG LEU B 42 74.227 -1.207 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU B 42 74.944 -1.980 -8.756 1.00 0.00 H new ATOM 0 HD12 LEU B 42 74.333 -0.310 -8.692 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.312 -1.653 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU B 42 73.987 -3.606 -10.406 1.00 0.00 H new ATOM 0 HD22 LEU B 42 72.353 -3.286 -9.777 1.00 0.00 H new ATOM 0 HD23 LEU B 42 72.693 -3.092 -11.513 1.00 0.00 H new ATOM 2325 N PRO B 43 70.108 -1.245 -13.466 1.00 0.00 N ATOM 2326 CA PRO B 43 68.751 -1.732 -13.850 1.00 0.00 C ATOM 2327 C PRO B 43 68.565 -3.259 -13.708 1.00 0.00 C ATOM 2328 O PRO B 43 68.278 -3.757 -12.639 1.00 0.00 O ATOM 2329 CB PRO B 43 68.689 -1.284 -15.319 1.00 0.00 C ATOM 2330 CG PRO B 43 70.139 -1.171 -15.825 1.00 0.00 C ATOM 2331 CD PRO B 43 71.064 -1.069 -14.594 1.00 0.00 C ATOM 0 HA PRO B 43 67.960 -1.341 -13.210 1.00 0.00 H new ATOM 0 HB2 PRO B 43 68.128 -2.003 -15.917 1.00 0.00 H new ATOM 0 HB3 PRO B 43 68.175 -0.327 -15.407 1.00 0.00 H new ATOM 0 HG2 PRO B 43 70.401 -2.040 -16.428 1.00 0.00 H new ATOM 0 HG3 PRO B 43 70.254 -0.294 -16.462 1.00 0.00 H new ATOM 0 HD2 PRO B 43 71.834 -1.840 -14.599 1.00 0.00 H new ATOM 0 HD3 PRO B 43 71.576 -0.108 -14.548 1.00 0.00 H new ATOM 2339 N SER B 44 68.686 -3.998 -14.782 1.00 0.00 N ATOM 2340 CA SER B 44 68.476 -5.475 -14.701 1.00 0.00 C ATOM 2341 C SER B 44 69.476 -6.120 -13.739 1.00 0.00 C ATOM 2342 O SER B 44 69.124 -6.976 -12.963 1.00 0.00 O ATOM 2343 CB SER B 44 68.643 -6.091 -16.090 1.00 0.00 C ATOM 2344 OG SER B 44 67.583 -5.653 -16.930 1.00 0.00 O ATOM 0 H SER B 44 68.921 -3.643 -15.709 1.00 0.00 H new ATOM 0 HA SER B 44 67.468 -5.658 -14.328 1.00 0.00 H new ATOM 0 HB2 SER B 44 69.603 -5.800 -16.516 1.00 0.00 H new ATOM 0 HB3 SER B 44 68.641 -7.179 -16.020 1.00 0.00 H new ATOM 0 HG SER B 44 67.689 -6.045 -17.822 1.00 0.00 H new ATOM 2350 N PHE B 45 70.715 -5.718 -13.785 1.00 0.00 N ATOM 2351 CA PHE B 45 71.740 -6.320 -12.876 1.00 0.00 C ATOM 2352 C PHE B 45 71.325 -6.109 -11.422 1.00 0.00 C ATOM 2353 O PHE B 45 71.933 -6.617 -10.502 1.00 0.00 O ATOM 2354 CB PHE B 45 73.068 -5.618 -13.101 1.00 0.00 C ATOM 2355 CG PHE B 45 73.574 -5.910 -14.493 1.00 0.00 C ATOM 2356 CD1 PHE B 45 74.356 -7.047 -14.733 1.00 0.00 C ATOM 2357 CD2 PHE B 45 73.262 -5.041 -15.546 1.00 0.00 C ATOM 2358 CE1 PHE B 45 74.824 -7.315 -16.025 1.00 0.00 C ATOM 2359 CE2 PHE B 45 73.731 -5.309 -16.838 1.00 0.00 C ATOM 2360 CZ PHE B 45 74.513 -6.445 -17.077 1.00 0.00 C ATOM 0 H PHE B 45 71.067 -4.996 -14.414 1.00 0.00 H new ATOM 0 HA PHE B 45 71.828 -7.386 -13.085 1.00 0.00 H new ATOM 0 HB2 PHE B 45 72.948 -4.543 -12.966 1.00 0.00 H new ATOM 0 HB3 PHE B 45 73.796 -5.953 -12.362 1.00 0.00 H new ATOM 0 HD1 PHE B 45 74.598 -7.717 -13.921 1.00 0.00 H new ATOM 0 HD2 PHE B 45 72.659 -4.164 -15.362 1.00 0.00 H new ATOM 0 HE1 PHE B 45 75.425 -8.193 -16.210 1.00 0.00 H new ATOM 0 HE2 PHE B 45 73.489 -4.639 -17.650 1.00 0.00 H new ATOM 0 HZ PHE B 45 74.877 -6.650 -18.073 1.00 0.00 H new ATOM 2370 N LEU B 46 70.286 -5.363 -11.226 1.00 0.00 N ATOM 2371 CA LEU B 46 69.777 -5.085 -9.846 1.00 0.00 C ATOM 2372 C LEU B 46 68.552 -5.948 -9.644 1.00 0.00 C ATOM 2373 O LEU B 46 68.588 -6.964 -8.980 1.00 0.00 O ATOM 2374 CB LEU B 46 69.393 -3.609 -9.724 1.00 0.00 C ATOM 2375 CG LEU B 46 69.049 -3.262 -8.261 1.00 0.00 C ATOM 2376 CD1 LEU B 46 70.332 -3.040 -7.438 1.00 0.00 C ATOM 2377 CD2 LEU B 46 68.183 -1.991 -8.222 1.00 0.00 C ATOM 0 H LEU B 46 69.750 -4.921 -11.973 1.00 0.00 H new ATOM 0 HA LEU B 46 70.539 -5.305 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU B 46 70.216 -2.983 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU B 46 68.538 -3.395 -10.366 1.00 0.00 H new ATOM 0 HG LEU B 46 68.498 -4.096 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU B 46 70.067 -2.796 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU B 46 70.935 -3.948 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU B 46 70.904 -2.218 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU B 46 67.941 -1.747 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU B 46 68.732 -1.163 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU B 46 67.262 -2.161 -8.780 1.00 0.00 H new ATOM 2389 N GLY B 47 67.475 -5.580 -10.271 1.00 0.00 N ATOM 2390 CA GLY B 47 66.256 -6.411 -10.179 1.00 0.00 C ATOM 2391 C GLY B 47 66.516 -7.673 -10.995 1.00 0.00 C ATOM 2392 O GLY B 47 65.606 -8.316 -11.481 1.00 0.00 O ATOM 0 H GLY B 47 67.389 -4.739 -10.842 1.00 0.00 H new ATOM 0 HA2 GLY B 47 66.037 -6.661 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.391 -5.872 -10.567 1.00 0.00 H new ATOM 2396 N LYS B 48 67.771 -8.020 -11.168 1.00 0.00 N ATOM 2397 CA LYS B 48 68.115 -9.221 -11.968 1.00 0.00 C ATOM 2398 C LYS B 48 67.236 -10.398 -11.524 1.00 0.00 C ATOM 2399 O LYS B 48 66.773 -11.181 -12.329 1.00 0.00 O ATOM 2400 CB LYS B 48 69.590 -9.585 -11.725 1.00 0.00 C ATOM 2401 CG LYS B 48 69.994 -10.834 -12.528 1.00 0.00 C ATOM 2402 CD LYS B 48 69.860 -10.581 -14.035 1.00 0.00 C ATOM 2403 CE LYS B 48 70.625 -11.662 -14.798 1.00 0.00 C ATOM 2404 NZ LYS B 48 70.096 -13.000 -14.412 1.00 0.00 N ATOM 0 H LYS B 48 68.570 -7.515 -10.784 1.00 0.00 H new ATOM 0 HA LYS B 48 67.950 -9.013 -13.025 1.00 0.00 H new ATOM 0 HB2 LYS B 48 70.226 -8.746 -12.008 1.00 0.00 H new ATOM 0 HB3 LYS B 48 69.753 -9.764 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS B 48 71.022 -11.107 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS B 48 69.366 -11.676 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS B 48 68.809 -10.589 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS B 48 70.252 -9.596 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS B 48 70.518 -11.511 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS B 48 71.690 -11.599 -14.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 70.365 -13.701 -15.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 70.494 -13.279 -13.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 69.059 -12.956 -14.342 1.00 0.00 H new ATOM 2418 N ARG B 49 67.014 -10.526 -10.244 1.00 0.00 N ATOM 2419 CA ARG B 49 66.176 -11.649 -9.731 1.00 0.00 C ATOM 2420 C ARG B 49 64.708 -11.406 -10.075 1.00 0.00 C ATOM 2421 O ARG B 49 64.182 -10.327 -9.886 1.00 0.00 O ATOM 2422 CB ARG B 49 66.351 -11.747 -8.202 1.00 0.00 C ATOM 2423 CG ARG B 49 67.575 -12.610 -7.866 1.00 0.00 C ATOM 2424 CD ARG B 49 68.834 -11.986 -8.470 1.00 0.00 C ATOM 2425 NE ARG B 49 70.031 -12.754 -8.018 1.00 0.00 N ATOM 2426 CZ ARG B 49 71.178 -12.596 -8.623 1.00 0.00 C ATOM 2427 NH1 ARG B 49 71.279 -11.767 -9.624 1.00 0.00 N ATOM 2428 NH2 ARG B 49 72.225 -13.271 -8.229 1.00 0.00 N ATOM 0 H ARG B 49 67.379 -9.898 -9.528 1.00 0.00 H new ATOM 0 HA ARG B 49 66.491 -12.583 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG B 49 66.471 -10.750 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG B 49 65.457 -12.179 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG B 49 67.684 -12.696 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG B 49 67.437 -13.619 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG B 49 68.772 -11.995 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG B 49 68.920 -10.943 -8.164 1.00 0.00 H new ATOM 0 HE ARG B 49 69.953 -13.403 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG B 49 70.462 -11.241 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG B 49 72.175 -11.644 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG B 49 72.148 -13.922 -7.448 1.00 0.00 H new ATOM 0 HH22 ARG B 49 73.120 -13.147 -8.702 1.00 0.00 H new ATOM 2442 N THR B 50 64.033 -12.416 -10.556 1.00 0.00 N ATOM 2443 CA THR B 50 62.594 -12.254 -10.883 1.00 0.00 C ATOM 2444 C THR B 50 61.888 -11.932 -9.574 1.00 0.00 C ATOM 2445 O THR B 50 61.014 -11.091 -9.508 1.00 0.00 O ATOM 2446 CB THR B 50 62.035 -13.554 -11.470 1.00 0.00 C ATOM 2447 OG1 THR B 50 62.769 -13.899 -12.636 1.00 0.00 O ATOM 2448 CG2 THR B 50 60.564 -13.352 -11.841 1.00 0.00 C ATOM 0 H THR B 50 64.419 -13.343 -10.735 1.00 0.00 H new ATOM 0 HA THR B 50 62.445 -11.465 -11.620 1.00 0.00 H new ATOM 0 HB THR B 50 62.121 -14.353 -10.733 1.00 0.00 H new ATOM 0 HG1 THR B 50 62.414 -14.731 -13.012 1.00 0.00 H new ATOM 0 HG21 THR B 50 60.164 -14.276 -12.259 1.00 0.00 H new ATOM 0 HG22 THR B 50 59.998 -13.082 -10.950 1.00 0.00 H new ATOM 0 HG23 THR B 50 60.481 -12.554 -12.579 1.00 0.00 H new ATOM 2456 N ASP B 51 62.293 -12.591 -8.521 1.00 0.00 N ATOM 2457 CA ASP B 51 61.691 -12.326 -7.190 1.00 0.00 C ATOM 2458 C ASP B 51 62.484 -11.201 -6.524 1.00 0.00 C ATOM 2459 O ASP B 51 63.323 -11.430 -5.677 1.00 0.00 O ATOM 2460 CB ASP B 51 61.775 -13.590 -6.330 1.00 0.00 C ATOM 2461 CG ASP B 51 60.940 -13.398 -5.063 1.00 0.00 C ATOM 2462 OD1 ASP B 51 60.525 -12.278 -4.816 1.00 0.00 O ATOM 2463 OD2 ASP B 51 60.731 -14.375 -4.360 1.00 0.00 O ATOM 0 H ASP B 51 63.021 -13.306 -8.530 1.00 0.00 H new ATOM 0 HA ASP B 51 60.645 -12.039 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP B 51 61.411 -14.450 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP B 51 62.813 -13.796 -6.067 1.00 0.00 H new ATOM 2468 N GLU B 52 62.223 -9.987 -6.915 1.00 0.00 N ATOM 2469 CA GLU B 52 62.954 -8.825 -6.331 1.00 0.00 C ATOM 2470 C GLU B 52 62.876 -8.892 -4.801 1.00 0.00 C ATOM 2471 O GLU B 52 63.878 -8.802 -4.121 1.00 0.00 O ATOM 2472 CB GLU B 52 62.287 -7.531 -6.826 1.00 0.00 C ATOM 2473 CG GLU B 52 62.566 -7.341 -8.321 1.00 0.00 C ATOM 2474 CD GLU B 52 61.697 -8.299 -9.141 1.00 0.00 C ATOM 2475 OE1 GLU B 52 60.808 -8.905 -8.566 1.00 0.00 O ATOM 2476 OE2 GLU B 52 61.943 -8.415 -10.331 1.00 0.00 O ATOM 0 H GLU B 52 61.528 -9.745 -7.621 1.00 0.00 H new ATOM 0 HA GLU B 52 64.000 -8.845 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU B 52 61.212 -7.575 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU B 52 62.667 -6.678 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU B 52 62.359 -6.311 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU B 52 63.620 -7.524 -8.529 1.00 0.00 H new ATOM 2483 N ALA B 53 61.693 -9.070 -4.273 1.00 0.00 N ATOM 2484 CA ALA B 53 61.487 -9.170 -2.788 1.00 0.00 C ATOM 2485 C ALA B 53 62.541 -8.388 -1.997 1.00 0.00 C ATOM 2486 O ALA B 53 62.326 -7.254 -1.625 1.00 0.00 O ATOM 2487 CB ALA B 53 61.530 -10.640 -2.367 1.00 0.00 C ATOM 0 H ALA B 53 60.836 -9.153 -4.820 1.00 0.00 H new ATOM 0 HA ALA B 53 60.514 -8.732 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA B 53 61.381 -10.714 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA B 53 60.741 -11.189 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA B 53 62.499 -11.065 -2.629 1.00 0.00 H new ATOM 2493 N ALA B 54 63.671 -8.977 -1.713 1.00 0.00 N ATOM 2494 CA ALA B 54 64.683 -8.228 -0.925 1.00 0.00 C ATOM 2495 C ALA B 54 65.069 -6.975 -1.694 1.00 0.00 C ATOM 2496 O ALA B 54 65.235 -5.911 -1.142 1.00 0.00 O ATOM 2497 CB ALA B 54 65.920 -9.069 -0.673 1.00 0.00 C ATOM 0 H ALA B 54 63.931 -9.924 -1.987 1.00 0.00 H new ATOM 0 HA ALA B 54 64.252 -7.968 0.042 1.00 0.00 H new ATOM 0 HB1 ALA B 54 66.641 -8.492 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA B 54 65.644 -9.966 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.366 -9.355 -1.626 1.00 0.00 H new ATOM 2503 N PHE B 55 65.186 -7.070 -2.976 1.00 0.00 N ATOM 2504 CA PHE B 55 65.520 -5.857 -3.750 1.00 0.00 C ATOM 2505 C PHE B 55 64.394 -4.862 -3.481 1.00 0.00 C ATOM 2506 O PHE B 55 64.616 -3.683 -3.282 1.00 0.00 O ATOM 2507 CB PHE B 55 65.585 -6.205 -5.231 1.00 0.00 C ATOM 2508 CG PHE B 55 66.909 -6.864 -5.539 1.00 0.00 C ATOM 2509 CD1 PHE B 55 68.039 -6.082 -5.800 1.00 0.00 C ATOM 2510 CD2 PHE B 55 67.004 -8.260 -5.568 1.00 0.00 C ATOM 2511 CE1 PHE B 55 69.264 -6.695 -6.088 1.00 0.00 C ATOM 2512 CE2 PHE B 55 68.228 -8.875 -5.855 1.00 0.00 C ATOM 2513 CZ PHE B 55 69.359 -8.092 -6.115 1.00 0.00 C ATOM 0 H PHE B 55 65.067 -7.925 -3.519 1.00 0.00 H new ATOM 0 HA PHE B 55 66.486 -5.440 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE B 55 64.765 -6.873 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE B 55 65.467 -5.303 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE B 55 67.966 -5.005 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE B 55 66.131 -8.864 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE B 55 70.136 -6.091 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE B 55 68.300 -9.952 -5.876 1.00 0.00 H new ATOM 0 HZ PHE B 55 70.304 -8.565 -6.336 1.00 0.00 H new ATOM 2523 N GLN B 56 63.182 -5.353 -3.426 1.00 0.00 N ATOM 2524 CA GLN B 56 62.027 -4.468 -3.113 1.00 0.00 C ATOM 2525 C GLN B 56 62.126 -4.059 -1.644 1.00 0.00 C ATOM 2526 O GLN B 56 61.622 -3.035 -1.237 1.00 0.00 O ATOM 2527 CB GLN B 56 60.713 -5.212 -3.378 1.00 0.00 C ATOM 2528 CG GLN B 56 59.522 -4.304 -3.057 1.00 0.00 C ATOM 2529 CD GLN B 56 58.219 -5.053 -3.349 1.00 0.00 C ATOM 2530 OE1 GLN B 56 58.228 -6.081 -4.001 1.00 0.00 O ATOM 2531 NE2 GLN B 56 57.093 -4.589 -2.883 1.00 0.00 N ATOM 0 H GLN B 56 62.945 -6.332 -3.585 1.00 0.00 H new ATOM 0 HA GLN B 56 62.045 -3.580 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.669 -5.529 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN B 56 60.667 -6.114 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN B 56 59.553 -4.001 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN B 56 59.573 -3.394 -3.654 1.00 0.00 H new ATOM 0 HE21 GLN B 56 57.083 -3.728 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN B 56 56.222 -5.087 -3.065 1.00 0.00 H new ATOM 2540 N LYS B 57 62.789 -4.855 -0.851 1.00 0.00 N ATOM 2541 CA LYS B 57 62.948 -4.515 0.598 1.00 0.00 C ATOM 2542 C LYS B 57 63.846 -3.290 0.701 1.00 0.00 C ATOM 2543 O LYS B 57 63.593 -2.381 1.466 1.00 0.00 O ATOM 2544 CB LYS B 57 63.562 -5.701 1.359 1.00 0.00 C ATOM 2545 CG LYS B 57 63.729 -5.360 2.841 1.00 0.00 C ATOM 2546 CD LYS B 57 63.860 -6.645 3.670 1.00 0.00 C ATOM 2547 CE LYS B 57 65.158 -7.369 3.300 1.00 0.00 C ATOM 2548 NZ LYS B 57 65.385 -8.498 4.247 1.00 0.00 N ATOM 0 H LYS B 57 63.229 -5.728 -1.141 1.00 0.00 H new ATOM 0 HA LYS B 57 61.977 -4.302 1.044 1.00 0.00 H new ATOM 0 HB2 LYS B 57 62.924 -6.579 1.252 1.00 0.00 H new ATOM 0 HB3 LYS B 57 64.530 -5.955 0.927 1.00 0.00 H new ATOM 0 HG2 LYS B 57 64.612 -4.737 2.981 1.00 0.00 H new ATOM 0 HG3 LYS B 57 62.873 -4.781 3.187 1.00 0.00 H new ATOM 0 HD2 LYS B 57 63.857 -6.405 4.733 1.00 0.00 H new ATOM 0 HD3 LYS B 57 63.005 -7.296 3.487 1.00 0.00 H new ATOM 0 HE2 LYS B 57 65.099 -7.744 2.278 1.00 0.00 H new ATOM 0 HE3 LYS B 57 65.997 -6.675 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 66.266 -8.990 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 65.459 -8.129 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 64.589 -9.164 4.190 1.00 0.00 H new ATOM 2562 N LEU B 58 64.865 -3.239 -0.108 1.00 0.00 N ATOM 2563 CA LEU B 58 65.748 -2.049 -0.104 1.00 0.00 C ATOM 2564 C LEU B 58 64.901 -0.909 -0.623 1.00 0.00 C ATOM 2565 O LEU B 58 64.936 0.201 -0.135 1.00 0.00 O ATOM 2566 CB LEU B 58 66.947 -2.265 -1.031 1.00 0.00 C ATOM 2567 CG LEU B 58 67.794 -3.447 -0.544 1.00 0.00 C ATOM 2568 CD1 LEU B 58 68.961 -3.663 -1.517 1.00 0.00 C ATOM 2569 CD2 LEU B 58 68.345 -3.157 0.863 1.00 0.00 C ATOM 0 H LEU B 58 65.122 -3.971 -0.770 1.00 0.00 H new ATOM 0 HA LEU B 58 66.139 -1.850 0.894 1.00 0.00 H new ATOM 0 HB2 LEU B 58 66.600 -2.453 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU B 58 67.556 -1.362 -1.064 1.00 0.00 H new ATOM 0 HG LEU B 58 67.174 -4.343 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU B 58 69.568 -4.502 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU B 58 68.570 -3.877 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU B 58 69.575 -2.763 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU B 58 68.945 -4.002 1.200 1.00 0.00 H new ATOM 0 HD22 LEU B 58 68.965 -2.261 0.833 1.00 0.00 H new ATOM 0 HD23 LEU B 58 67.516 -3.002 1.554 1.00 0.00 H new ATOM 2581 N MET B 59 64.105 -1.193 -1.606 1.00 0.00 N ATOM 2582 CA MET B 59 63.216 -0.146 -2.141 1.00 0.00 C ATOM 2583 C MET B 59 62.200 0.182 -1.060 1.00 0.00 C ATOM 2584 O MET B 59 61.840 1.319 -0.840 1.00 0.00 O ATOM 2585 CB MET B 59 62.504 -0.638 -3.398 1.00 0.00 C ATOM 2586 CG MET B 59 61.790 0.533 -4.074 1.00 0.00 C ATOM 2587 SD MET B 59 60.938 -0.055 -5.558 1.00 0.00 S ATOM 2588 CE MET B 59 59.378 -0.513 -4.763 1.00 0.00 C ATOM 0 H MET B 59 64.034 -2.104 -2.059 1.00 0.00 H new ATOM 0 HA MET B 59 63.792 0.738 -2.413 1.00 0.00 H new ATOM 0 HB2 MET B 59 63.223 -1.084 -4.085 1.00 0.00 H new ATOM 0 HB3 MET B 59 61.785 -1.416 -3.140 1.00 0.00 H new ATOM 0 HG2 MET B 59 61.075 0.983 -3.385 1.00 0.00 H new ATOM 0 HG3 MET B 59 62.510 1.308 -4.338 1.00 0.00 H new ATOM 0 HE1 MET B 59 58.797 -1.143 -5.437 1.00 0.00 H new ATOM 0 HE2 MET B 59 59.585 -1.060 -3.843 1.00 0.00 H new ATOM 0 HE3 MET B 59 58.810 0.388 -4.529 1.00 0.00 H new ATOM 2598 N SER B 60 61.749 -0.819 -0.369 1.00 0.00 N ATOM 2599 CA SER B 60 60.775 -0.571 0.726 1.00 0.00 C ATOM 2600 C SER B 60 61.509 0.111 1.873 1.00 0.00 C ATOM 2601 O SER B 60 60.916 0.779 2.694 1.00 0.00 O ATOM 2602 CB SER B 60 60.183 -1.893 1.209 1.00 0.00 C ATOM 2603 OG SER B 60 58.997 -1.628 1.946 1.00 0.00 O ATOM 0 H SER B 60 62.009 -1.795 -0.512 1.00 0.00 H new ATOM 0 HA SER B 60 59.964 0.062 0.366 1.00 0.00 H new ATOM 0 HB2 SER B 60 59.962 -2.539 0.359 1.00 0.00 H new ATOM 0 HB3 SER B 60 60.903 -2.422 1.833 1.00 0.00 H new ATOM 0 HG SER B 60 58.610 -2.473 2.258 1.00 0.00 H new ATOM 2609 N ASN B 61 62.803 -0.048 1.935 1.00 0.00 N ATOM 2610 CA ASN B 61 63.555 0.607 3.043 1.00 0.00 C ATOM 2611 C ASN B 61 63.458 2.110 2.838 1.00 0.00 C ATOM 2612 O ASN B 61 63.312 2.867 3.775 1.00 0.00 O ATOM 2613 CB ASN B 61 65.020 0.156 3.071 1.00 0.00 C ATOM 2614 CG ASN B 61 65.107 -1.309 3.518 1.00 0.00 C ATOM 2615 OD1 ASN B 61 64.086 -1.871 4.109 1.00 0.00 O flip ATOM 2616 ND2 ASN B 61 66.122 -1.951 3.328 1.00 0.00 N flip ATOM 0 H ASN B 61 63.364 -0.593 1.280 1.00 0.00 H new ATOM 0 HA ASN B 61 63.123 0.322 4.002 1.00 0.00 H new ATOM 0 HB2 ASN B 61 65.464 0.270 2.082 1.00 0.00 H new ATOM 0 HB3 ASN B 61 65.591 0.787 3.752 1.00 0.00 H new ATOM 0 HD21 ASN B 61 66.921 -1.517 2.867 1.00 0.00 H new ATOM 0 HD22 ASN B 61 66.174 -2.924 3.630 1.00 0.00 H new ATOM 2623 N LEU B 62 63.492 2.551 1.610 1.00 0.00 N ATOM 2624 CA LEU B 62 63.347 4.011 1.356 1.00 0.00 C ATOM 2625 C LEU B 62 62.008 4.402 1.978 1.00 0.00 C ATOM 2626 O LEU B 62 61.830 5.478 2.511 1.00 0.00 O ATOM 2627 CB LEU B 62 63.319 4.304 -0.156 1.00 0.00 C ATOM 2628 CG LEU B 62 64.245 3.348 -0.910 1.00 0.00 C ATOM 2629 CD1 LEU B 62 64.216 3.688 -2.405 1.00 0.00 C ATOM 2630 CD2 LEU B 62 65.672 3.463 -0.372 1.00 0.00 C ATOM 0 H LEU B 62 63.613 1.970 0.780 1.00 0.00 H new ATOM 0 HA LEU B 62 64.182 4.570 1.779 1.00 0.00 H new ATOM 0 HB2 LEU B 62 62.301 4.204 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU B 62 63.626 5.334 -0.337 1.00 0.00 H new ATOM 0 HG LEU B 62 63.902 2.324 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU B 62 64.875 3.009 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU B 62 63.199 3.584 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU B 62 64.554 4.714 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU B 62 66.322 2.778 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU B 62 66.029 4.484 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU B 62 65.683 3.209 0.688 1.00 0.00 H new ATOM 2642 N ASP B 63 61.079 3.485 1.927 1.00 0.00 N ATOM 2643 CA ASP B 63 59.742 3.710 2.525 1.00 0.00 C ATOM 2644 C ASP B 63 59.803 3.294 3.995 1.00 0.00 C ATOM 2645 O ASP B 63 58.793 3.156 4.655 1.00 0.00 O ATOM 2646 CB ASP B 63 58.697 2.860 1.796 1.00 0.00 C ATOM 2647 CG ASP B 63 58.476 3.409 0.386 1.00 0.00 C ATOM 2648 OD1 ASP B 63 58.767 4.574 0.173 1.00 0.00 O ATOM 2649 OD2 ASP B 63 58.019 2.655 -0.458 1.00 0.00 O ATOM 0 H ASP B 63 61.199 2.573 1.486 1.00 0.00 H new ATOM 0 HA ASP B 63 59.463 4.760 2.437 1.00 0.00 H new ATOM 0 HB2 ASP B 63 59.030 1.823 1.745 1.00 0.00 H new ATOM 0 HB3 ASP B 63 57.758 2.867 2.350 1.00 0.00 H new ATOM 2654 N SER B 64 60.991 3.071 4.507 1.00 0.00 N ATOM 2655 CA SER B 64 61.115 2.640 5.928 1.00 0.00 C ATOM 2656 C SER B 64 60.420 3.662 6.827 1.00 0.00 C ATOM 2657 O SER B 64 59.236 3.572 7.077 1.00 0.00 O ATOM 2658 CB SER B 64 62.592 2.566 6.324 1.00 0.00 C ATOM 2659 OG SER B 64 62.690 2.407 7.733 1.00 0.00 O ATOM 0 H SER B 64 61.872 3.169 4.003 1.00 0.00 H new ATOM 0 HA SER B 64 60.655 1.659 6.043 1.00 0.00 H new ATOM 0 HB2 SER B 64 63.075 1.731 5.817 1.00 0.00 H new ATOM 0 HB3 SER B 64 63.111 3.472 6.011 1.00 0.00 H new ATOM 0 HG SER B 64 63.634 2.357 7.992 1.00 0.00 H new ATOM 2665 N ASN B 65 61.148 4.642 7.302 1.00 0.00 N ATOM 2666 CA ASN B 65 60.532 5.679 8.182 1.00 0.00 C ATOM 2667 C ASN B 65 61.566 6.763 8.512 1.00 0.00 C ATOM 2668 O ASN B 65 61.571 7.832 7.934 1.00 0.00 O ATOM 2669 CB ASN B 65 60.054 5.032 9.488 1.00 0.00 C ATOM 2670 CG ASN B 65 59.365 6.082 10.361 1.00 0.00 C ATOM 2671 OD1 ASN B 65 59.952 6.588 11.297 1.00 0.00 O ATOM 2672 ND2 ASN B 65 58.136 6.433 10.096 1.00 0.00 N ATOM 0 H ASN B 65 62.143 4.768 7.117 1.00 0.00 H new ATOM 0 HA ASN B 65 59.686 6.126 7.661 1.00 0.00 H new ATOM 0 HB2 ASN B 65 59.364 4.217 9.270 1.00 0.00 H new ATOM 0 HB3 ASN B 65 60.900 4.599 10.022 1.00 0.00 H new ATOM 0 HD21 ASN B 65 57.669 7.132 10.674 1.00 0.00 H new ATOM 0 HD22 ASN B 65 57.643 6.009 9.311 1.00 0.00 H new ATOM 2679 N ARG B 66 62.427 6.496 9.457 1.00 0.00 N ATOM 2680 CA ARG B 66 63.455 7.502 9.864 1.00 0.00 C ATOM 2681 C ARG B 66 64.386 7.843 8.694 1.00 0.00 C ATOM 2682 O ARG B 66 64.772 8.981 8.518 1.00 0.00 O ATOM 2683 CB ARG B 66 64.276 6.932 11.024 1.00 0.00 C ATOM 2684 CG ARG B 66 65.334 7.947 11.475 1.00 0.00 C ATOM 2685 CD ARG B 66 66.134 7.359 12.638 1.00 0.00 C ATOM 2686 NE ARG B 66 67.158 8.346 13.085 1.00 0.00 N ATOM 2687 CZ ARG B 66 67.761 8.181 14.229 1.00 0.00 C ATOM 2688 NH1 ARG B 66 67.478 7.140 14.966 1.00 0.00 N ATOM 2689 NH2 ARG B 66 68.646 9.049 14.632 1.00 0.00 N ATOM 0 H ARG B 66 62.464 5.615 9.970 1.00 0.00 H new ATOM 0 HA ARG B 66 62.949 8.417 10.173 1.00 0.00 H new ATOM 0 HB2 ARG B 66 63.619 6.687 11.858 1.00 0.00 H new ATOM 0 HB3 ARG B 66 64.759 6.005 10.716 1.00 0.00 H new ATOM 0 HG2 ARG B 66 65.999 8.189 10.646 1.00 0.00 H new ATOM 0 HG3 ARG B 66 64.855 8.877 11.781 1.00 0.00 H new ATOM 0 HD2 ARG B 66 65.467 7.111 13.464 1.00 0.00 H new ATOM 0 HD3 ARG B 66 66.617 6.432 12.329 1.00 0.00 H new ATOM 0 HE ARG B 66 67.386 9.148 12.498 1.00 0.00 H new ATOM 0 HH11 ARG B 66 66.788 6.461 14.646 1.00 0.00 H new ATOM 0 HH12 ARG B 66 67.947 7.007 15.862 1.00 0.00 H new ATOM 0 HH21 ARG B 66 68.867 9.858 14.052 1.00 0.00 H new ATOM 0 HH22 ARG B 66 69.117 8.919 15.527 1.00 0.00 H new ATOM 2703 N ASP B 67 64.774 6.876 7.908 1.00 0.00 N ATOM 2704 CA ASP B 67 65.704 7.184 6.784 1.00 0.00 C ATOM 2705 C ASP B 67 65.085 8.247 5.878 1.00 0.00 C ATOM 2706 O ASP B 67 63.904 8.230 5.597 1.00 0.00 O ATOM 2707 CB ASP B 67 65.980 5.916 5.973 1.00 0.00 C ATOM 2708 CG ASP B 67 64.686 5.426 5.323 1.00 0.00 C ATOM 2709 OD1 ASP B 67 63.628 5.810 5.794 1.00 0.00 O ATOM 2710 OD2 ASP B 67 64.774 4.679 4.364 1.00 0.00 O ATOM 0 H ASP B 67 64.492 5.899 7.993 1.00 0.00 H new ATOM 0 HA ASP B 67 66.642 7.559 7.192 1.00 0.00 H new ATOM 0 HB2 ASP B 67 66.729 6.119 5.207 1.00 0.00 H new ATOM 0 HB3 ASP B 67 66.389 5.141 6.621 1.00 0.00 H new ATOM 2715 N ASN B 68 65.882 9.176 5.421 1.00 0.00 N ATOM 2716 CA ASN B 68 65.349 10.249 4.531 1.00 0.00 C ATOM 2717 C ASN B 68 66.485 10.861 3.695 1.00 0.00 C ATOM 2718 O ASN B 68 66.254 11.407 2.635 1.00 0.00 O ATOM 2719 CB ASN B 68 64.699 11.342 5.384 1.00 0.00 C ATOM 2720 CG ASN B 68 65.760 12.014 6.258 1.00 0.00 C ATOM 2721 OD1 ASN B 68 66.788 11.432 6.543 1.00 0.00 O ATOM 2722 ND2 ASN B 68 65.554 13.226 6.696 1.00 0.00 N ATOM 0 H ASN B 68 66.879 9.238 5.625 1.00 0.00 H new ATOM 0 HA ASN B 68 64.608 9.816 3.859 1.00 0.00 H new ATOM 0 HB2 ASN B 68 64.221 12.082 4.742 1.00 0.00 H new ATOM 0 HB3 ASN B 68 63.918 10.911 6.010 1.00 0.00 H new ATOM 0 HD21 ASN B 68 66.256 13.684 7.277 1.00 0.00 H new ATOM 0 HD22 ASN B 68 64.691 13.715 6.457 1.00 0.00 H new ATOM 2729 N GLU B 69 67.707 10.788 4.171 1.00 0.00 N ATOM 2730 CA GLU B 69 68.867 11.372 3.417 1.00 0.00 C ATOM 2731 C GLU B 69 69.923 10.291 3.170 1.00 0.00 C ATOM 2732 O GLU B 69 70.121 9.403 3.975 1.00 0.00 O ATOM 2733 CB GLU B 69 69.485 12.498 4.244 1.00 0.00 C ATOM 2734 CG GLU B 69 70.612 13.161 3.460 1.00 0.00 C ATOM 2735 CD GLU B 69 71.168 14.332 4.268 1.00 0.00 C ATOM 2736 OE1 GLU B 69 70.638 15.423 4.134 1.00 0.00 O ATOM 2737 OE2 GLU B 69 72.115 14.120 5.006 1.00 0.00 O ATOM 0 H GLU B 69 67.953 10.346 5.056 1.00 0.00 H new ATOM 0 HA GLU B 69 68.518 11.760 2.460 1.00 0.00 H new ATOM 0 HB2 GLU B 69 68.723 13.236 4.496 1.00 0.00 H new ATOM 0 HB3 GLU B 69 69.869 12.102 5.184 1.00 0.00 H new ATOM 0 HG2 GLU B 69 71.402 12.438 3.255 1.00 0.00 H new ATOM 0 HG3 GLU B 69 70.243 13.512 2.496 1.00 0.00 H new ATOM 2744 N VAL B 70 70.602 10.373 2.060 1.00 0.00 N ATOM 2745 CA VAL B 70 71.661 9.369 1.728 1.00 0.00 C ATOM 2746 C VAL B 70 73.026 10.026 1.866 1.00 0.00 C ATOM 2747 O VAL B 70 73.495 10.710 0.978 1.00 0.00 O ATOM 2748 CB VAL B 70 71.467 8.921 0.282 1.00 0.00 C ATOM 2749 CG1 VAL B 70 72.189 7.606 0.033 1.00 0.00 C ATOM 2750 CG2 VAL B 70 69.983 8.737 0.006 1.00 0.00 C ATOM 0 H VAL B 70 70.469 11.101 1.358 1.00 0.00 H new ATOM 0 HA VAL B 70 71.595 8.513 2.400 1.00 0.00 H new ATOM 0 HB VAL B 70 71.878 9.683 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL B 70 72.041 7.300 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.254 7.734 0.225 1.00 0.00 H new ATOM 0 HG13 VAL B 70 71.790 6.840 0.698 1.00 0.00 H new ATOM 0 HG21 VAL B 70 69.842 8.417 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL B 70 69.579 7.981 0.679 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.463 9.681 0.167 1.00 0.00 H new ATOM 2760 N ASP B 71 73.680 9.794 2.956 1.00 0.00 N ATOM 2761 CA ASP B 71 75.034 10.371 3.142 1.00 0.00 C ATOM 2762 C ASP B 71 76.006 9.434 2.438 1.00 0.00 C ATOM 2763 O ASP B 71 75.635 8.345 2.047 1.00 0.00 O ATOM 2764 CB ASP B 71 75.363 10.444 4.637 1.00 0.00 C ATOM 2765 CG ASP B 71 76.623 11.286 4.852 1.00 0.00 C ATOM 2766 OD1 ASP B 71 77.273 11.609 3.873 1.00 0.00 O ATOM 2767 OD2 ASP B 71 76.916 11.591 5.996 1.00 0.00 O ATOM 0 H ASP B 71 73.338 9.228 3.732 1.00 0.00 H new ATOM 0 HA ASP B 71 75.097 11.379 2.733 1.00 0.00 H new ATOM 0 HB2 ASP B 71 74.526 10.881 5.182 1.00 0.00 H new ATOM 0 HB3 ASP B 71 75.513 9.440 5.035 1.00 0.00 H new ATOM 2772 N PHE B 72 77.234 9.813 2.263 1.00 0.00 N ATOM 2773 CA PHE B 72 78.169 8.894 1.580 1.00 0.00 C ATOM 2774 C PHE B 72 78.130 7.552 2.309 1.00 0.00 C ATOM 2775 O PHE B 72 78.178 6.500 1.704 1.00 0.00 O ATOM 2776 CB PHE B 72 79.586 9.466 1.626 1.00 0.00 C ATOM 2777 CG PHE B 72 80.461 8.654 0.708 1.00 0.00 C ATOM 2778 CD1 PHE B 72 80.383 8.857 -0.672 1.00 0.00 C ATOM 2779 CD2 PHE B 72 81.334 7.693 1.228 1.00 0.00 C ATOM 2780 CE1 PHE B 72 81.178 8.102 -1.534 1.00 0.00 C ATOM 2781 CE2 PHE B 72 82.132 6.936 0.364 1.00 0.00 C ATOM 2782 CZ PHE B 72 82.054 7.140 -1.019 1.00 0.00 C ATOM 0 H PHE B 72 77.626 10.707 2.559 1.00 0.00 H new ATOM 0 HA PHE B 72 77.880 8.768 0.537 1.00 0.00 H new ATOM 0 HB2 PHE B 72 79.582 10.512 1.318 1.00 0.00 H new ATOM 0 HB3 PHE B 72 79.974 9.435 2.644 1.00 0.00 H new ATOM 0 HD1 PHE B 72 79.707 9.599 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE B 72 81.392 7.536 2.295 1.00 0.00 H new ATOM 0 HE1 PHE B 72 81.117 8.260 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE B 72 82.808 6.194 0.763 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.669 6.556 -1.687 1.00 0.00 H new ATOM 2792 N GLN B 73 78.042 7.591 3.609 1.00 0.00 N ATOM 2793 CA GLN B 73 77.998 6.329 4.391 1.00 0.00 C ATOM 2794 C GLN B 73 76.709 5.544 4.091 1.00 0.00 C ATOM 2795 O GLN B 73 76.747 4.338 3.968 1.00 0.00 O ATOM 2796 CB GLN B 73 78.070 6.657 5.887 1.00 0.00 C ATOM 2797 CG GLN B 73 78.085 5.361 6.705 1.00 0.00 C ATOM 2798 CD GLN B 73 78.171 5.697 8.195 1.00 0.00 C ATOM 2799 OE1 GLN B 73 77.622 6.795 8.638 1.00 0.00 O flip ATOM 2800 NE2 GLN B 73 78.739 4.949 8.964 1.00 0.00 N flip ATOM 0 H GLN B 73 77.999 8.446 4.163 1.00 0.00 H new ATOM 0 HA GLN B 73 78.849 5.710 4.107 1.00 0.00 H new ATOM 0 HB2 GLN B 73 78.966 7.241 6.098 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.216 7.270 6.175 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.184 4.781 6.504 1.00 0.00 H new ATOM 0 HG3 GLN B 73 78.934 4.743 6.411 1.00 0.00 H new ATOM 0 HE21 GLN B 73 79.168 4.091 8.618 1.00 0.00 H new ATOM 0 HE22 GLN B 73 78.787 5.179 9.957 1.00 0.00 H new ATOM 2809 N GLU B 74 75.570 6.186 3.964 1.00 0.00 N ATOM 2810 CA GLU B 74 74.336 5.407 3.678 1.00 0.00 C ATOM 2811 C GLU B 74 74.421 4.824 2.276 1.00 0.00 C ATOM 2812 O GLU B 74 74.006 3.710 2.035 1.00 0.00 O ATOM 2813 CB GLU B 74 73.101 6.308 3.790 1.00 0.00 C ATOM 2814 CG GLU B 74 72.772 6.594 5.264 1.00 0.00 C ATOM 2815 CD GLU B 74 73.699 7.683 5.805 1.00 0.00 C ATOM 2816 OE1 GLU B 74 74.876 7.405 5.964 1.00 0.00 O ATOM 2817 OE2 GLU B 74 73.216 8.776 6.049 1.00 0.00 O ATOM 0 H GLU B 74 75.448 7.195 4.045 1.00 0.00 H new ATOM 0 HA GLU B 74 74.247 4.600 4.405 1.00 0.00 H new ATOM 0 HB2 GLU B 74 73.279 7.245 3.263 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.249 5.828 3.308 1.00 0.00 H new ATOM 0 HG2 GLU B 74 71.733 6.909 5.359 1.00 0.00 H new ATOM 0 HG3 GLU B 74 72.884 5.684 5.853 1.00 0.00 H new ATOM 2824 N TYR B 75 74.943 5.565 1.346 1.00 0.00 N ATOM 2825 CA TYR B 75 75.029 5.036 -0.035 1.00 0.00 C ATOM 2826 C TYR B 75 75.876 3.761 -0.009 1.00 0.00 C ATOM 2827 O TYR B 75 75.572 2.780 -0.657 1.00 0.00 O ATOM 2828 CB TYR B 75 75.672 6.084 -0.949 1.00 0.00 C ATOM 2829 CG TYR B 75 75.756 5.545 -2.362 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.582 5.220 -3.056 1.00 0.00 C ATOM 2831 CD2 TYR B 75 77.003 5.370 -2.980 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.652 4.723 -4.360 1.00 0.00 C ATOM 2833 CE2 TYR B 75 77.072 4.871 -4.287 1.00 0.00 C ATOM 2834 CZ TYR B 75 75.895 4.548 -4.975 1.00 0.00 C ATOM 2835 OH TYR B 75 75.962 4.059 -6.262 1.00 0.00 O ATOM 0 H TYR B 75 75.311 6.507 1.481 1.00 0.00 H new ATOM 0 HA TYR B 75 74.034 4.809 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR B 75 75.086 7.003 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.668 6.336 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.621 5.354 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.909 5.620 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR B 75 73.746 4.474 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR B 75 78.031 4.735 -4.764 1.00 0.00 H new ATOM 0 HH TYR B 75 76.222 4.780 -6.873 1.00 0.00 H new ATOM 2845 N CYS B 76 76.929 3.771 0.762 1.00 0.00 N ATOM 2846 CA CYS B 76 77.805 2.574 0.884 1.00 0.00 C ATOM 2847 C CYS B 76 77.039 1.484 1.626 1.00 0.00 C ATOM 2848 O CYS B 76 77.115 0.321 1.282 1.00 0.00 O ATOM 2849 CB CYS B 76 79.066 2.937 1.672 1.00 0.00 C ATOM 2850 SG CYS B 76 79.879 4.352 0.889 1.00 0.00 S ATOM 0 H CYS B 76 77.223 4.572 1.321 1.00 0.00 H new ATOM 0 HA CYS B 76 78.093 2.222 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS B 76 78.807 3.177 2.703 1.00 0.00 H new ATOM 0 HB3 CYS B 76 79.746 2.085 1.704 1.00 0.00 H new ATOM 0 HG CYS B 76 79.440 5.454 1.421 1.00 0.00 H new ATOM 2856 N VAL B 77 76.282 1.842 2.635 1.00 0.00 N ATOM 2857 CA VAL B 77 75.517 0.797 3.356 1.00 0.00 C ATOM 2858 C VAL B 77 74.594 0.151 2.331 1.00 0.00 C ATOM 2859 O VAL B 77 74.429 -1.052 2.294 1.00 0.00 O ATOM 2860 CB VAL B 77 74.704 1.439 4.490 1.00 0.00 C ATOM 2861 CG1 VAL B 77 73.729 0.415 5.082 1.00 0.00 C ATOM 2862 CG2 VAL B 77 75.659 1.934 5.589 1.00 0.00 C ATOM 0 H VAL B 77 76.166 2.795 2.980 1.00 0.00 H new ATOM 0 HA VAL B 77 76.176 0.053 3.804 1.00 0.00 H new ATOM 0 HB VAL B 77 74.138 2.280 4.091 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.157 0.879 5.885 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.048 0.069 4.304 1.00 0.00 H new ATOM 0 HG13 VAL B 77 74.288 -0.433 5.478 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.082 2.390 6.394 1.00 0.00 H new ATOM 0 HG22 VAL B 77 76.229 1.092 5.982 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.344 2.672 5.171 1.00 0.00 H new ATOM 2872 N PHE B 78 74.022 0.943 1.464 1.00 0.00 N ATOM 2873 CA PHE B 78 73.153 0.365 0.413 1.00 0.00 C ATOM 2874 C PHE B 78 74.011 -0.510 -0.500 1.00 0.00 C ATOM 2875 O PHE B 78 73.622 -1.599 -0.866 1.00 0.00 O ATOM 2876 CB PHE B 78 72.499 1.487 -0.408 1.00 0.00 C ATOM 2877 CG PHE B 78 71.294 2.027 0.331 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.179 1.204 0.529 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.286 3.341 0.818 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.059 1.691 1.212 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.166 3.828 1.501 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.053 3.004 1.699 1.00 0.00 C ATOM 0 H PHE B 78 74.121 1.958 1.442 1.00 0.00 H new ATOM 0 HA PHE B 78 72.366 -0.232 0.873 1.00 0.00 H new ATOM 0 HB2 PHE B 78 73.218 2.287 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE B 78 72.198 1.108 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.183 0.191 0.154 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.145 3.978 0.666 1.00 0.00 H new ATOM 0 HE1 PHE B 78 68.200 1.055 1.363 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.161 4.841 1.876 1.00 0.00 H new ATOM 0 HZ PHE B 78 68.189 3.380 2.227 1.00 0.00 H new ATOM 2892 N LEU B 79 75.183 -0.056 -0.868 1.00 0.00 N ATOM 2893 CA LEU B 79 76.038 -0.908 -1.754 1.00 0.00 C ATOM 2894 C LEU B 79 76.549 -2.118 -0.970 1.00 0.00 C ATOM 2895 O LEU B 79 76.657 -3.210 -1.492 1.00 0.00 O ATOM 2896 CB LEU B 79 77.238 -0.113 -2.288 1.00 0.00 C ATOM 2897 CG LEU B 79 76.788 0.973 -3.282 1.00 0.00 C ATOM 2898 CD1 LEU B 79 78.025 1.751 -3.758 1.00 0.00 C ATOM 2899 CD2 LEU B 79 76.082 0.338 -4.500 1.00 0.00 C ATOM 0 H LEU B 79 75.579 0.846 -0.602 1.00 0.00 H new ATOM 0 HA LEU B 79 75.431 -1.238 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU B 79 77.770 0.349 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU B 79 77.938 -0.790 -2.777 1.00 0.00 H new ATOM 0 HG LEU B 79 76.086 1.643 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU B 79 77.720 2.524 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU B 79 78.515 2.214 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU B 79 78.719 1.067 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU B 79 75.772 1.122 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU B 79 76.769 -0.340 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU B 79 75.206 -0.217 -4.164 1.00 0.00 H new ATOM 2911 N SER B 80 76.872 -1.927 0.276 1.00 0.00 N ATOM 2912 CA SER B 80 77.390 -3.054 1.102 1.00 0.00 C ATOM 2913 C SER B 80 76.258 -4.038 1.372 1.00 0.00 C ATOM 2914 O SER B 80 76.409 -5.233 1.223 1.00 0.00 O ATOM 2915 CB SER B 80 77.935 -2.511 2.423 1.00 0.00 C ATOM 2916 OG SER B 80 78.955 -1.561 2.151 1.00 0.00 O ATOM 0 H SER B 80 76.800 -1.033 0.763 1.00 0.00 H new ATOM 0 HA SER B 80 78.193 -3.564 0.569 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.133 -2.047 2.998 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.332 -3.326 3.029 1.00 0.00 H new ATOM 0 HG SER B 80 78.550 -0.733 1.819 1.00 0.00 H new ATOM 2922 N CYS B 81 75.113 -3.540 1.746 1.00 0.00 N ATOM 2923 CA CYS B 81 73.965 -4.446 1.995 1.00 0.00 C ATOM 2924 C CYS B 81 73.674 -5.190 0.703 1.00 0.00 C ATOM 2925 O CYS B 81 73.360 -6.363 0.700 1.00 0.00 O ATOM 2926 CB CYS B 81 72.733 -3.634 2.423 1.00 0.00 C ATOM 2927 SG CYS B 81 71.946 -2.870 0.978 1.00 0.00 S ATOM 0 H CYS B 81 74.926 -2.548 1.889 1.00 0.00 H new ATOM 0 HA CYS B 81 74.202 -5.148 2.794 1.00 0.00 H new ATOM 0 HB2 CYS B 81 72.021 -4.283 2.932 1.00 0.00 H new ATOM 0 HB3 CYS B 81 73.027 -2.863 3.135 1.00 0.00 H new ATOM 0 HG CYS B 81 72.860 -2.494 0.134 1.00 0.00 H new ATOM 2933 N ILE B 82 73.789 -4.509 -0.405 1.00 0.00 N ATOM 2934 CA ILE B 82 73.523 -5.188 -1.704 1.00 0.00 C ATOM 2935 C ILE B 82 74.627 -6.211 -1.964 1.00 0.00 C ATOM 2936 O ILE B 82 74.375 -7.302 -2.433 1.00 0.00 O ATOM 2937 CB ILE B 82 73.472 -4.148 -2.835 1.00 0.00 C ATOM 2938 CG1 ILE B 82 72.165 -3.351 -2.731 1.00 0.00 C ATOM 2939 CG2 ILE B 82 73.529 -4.842 -4.202 1.00 0.00 C ATOM 2940 CD1 ILE B 82 72.238 -2.108 -3.624 1.00 0.00 C ATOM 0 H ILE B 82 74.052 -3.525 -0.467 1.00 0.00 H new ATOM 0 HA ILE B 82 72.562 -5.700 -1.666 1.00 0.00 H new ATOM 0 HB ILE B 82 74.328 -3.480 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE B 82 71.323 -3.976 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE B 82 71.990 -3.056 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE B 82 73.492 -4.092 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE B 82 74.456 -5.410 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE B 82 72.680 -5.518 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE B 82 71.306 -1.548 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE B 82 73.068 -1.479 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE B 82 72.391 -2.412 -4.659 1.00 0.00 H new ATOM 2952 N ALA B 83 75.846 -5.876 -1.652 1.00 0.00 N ATOM 2953 CA ALA B 83 76.951 -6.841 -1.877 1.00 0.00 C ATOM 2954 C ALA B 83 76.744 -8.069 -0.994 1.00 0.00 C ATOM 2955 O ALA B 83 76.790 -9.191 -1.456 1.00 0.00 O ATOM 2956 CB ALA B 83 78.280 -6.188 -1.525 1.00 0.00 C ATOM 0 H ALA B 83 76.123 -4.979 -1.253 1.00 0.00 H new ATOM 0 HA ALA B 83 76.959 -7.141 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.090 -6.899 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA B 83 78.432 -5.311 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.271 -5.886 -0.478 1.00 0.00 H new ATOM 2962 N MET B 84 76.500 -7.872 0.276 1.00 0.00 N ATOM 2963 CA MET B 84 76.277 -9.047 1.163 1.00 0.00 C ATOM 2964 C MET B 84 75.041 -9.784 0.685 1.00 0.00 C ATOM 2965 O MET B 84 74.995 -10.997 0.669 1.00 0.00 O ATOM 2966 CB MET B 84 76.097 -8.610 2.617 1.00 0.00 C ATOM 2967 CG MET B 84 77.431 -8.097 3.165 1.00 0.00 C ATOM 2968 SD MET B 84 77.237 -7.654 4.910 1.00 0.00 S ATOM 2969 CE MET B 84 76.035 -6.324 4.674 1.00 0.00 C ATOM 0 H MET B 84 76.446 -6.960 0.730 1.00 0.00 H new ATOM 0 HA MET B 84 77.147 -9.702 1.118 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.340 -7.828 2.682 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.743 -9.447 3.218 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.199 -8.862 3.056 1.00 0.00 H new ATOM 0 HG3 MET B 84 77.762 -7.230 2.593 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.144 -5.590 5.472 1.00 0.00 H new ATOM 0 HE2 MET B 84 76.209 -5.843 3.712 1.00 0.00 H new ATOM 0 HE3 MET B 84 75.026 -6.737 4.696 1.00 0.00 H new ATOM 2979 N MET B 85 74.041 -9.065 0.276 1.00 0.00 N ATOM 2980 CA MET B 85 72.824 -9.740 -0.219 1.00 0.00 C ATOM 2981 C MET B 85 73.234 -10.599 -1.407 1.00 0.00 C ATOM 2982 O MET B 85 72.740 -11.692 -1.588 1.00 0.00 O ATOM 2983 CB MET B 85 71.778 -8.709 -0.657 1.00 0.00 C ATOM 2984 CG MET B 85 70.462 -9.425 -0.970 1.00 0.00 C ATOM 2985 SD MET B 85 69.168 -8.202 -1.301 1.00 0.00 S ATOM 2986 CE MET B 85 69.509 -7.980 -3.063 1.00 0.00 C ATOM 0 H MET B 85 74.015 -8.045 0.264 1.00 0.00 H new ATOM 0 HA MET B 85 72.381 -10.349 0.569 1.00 0.00 H new ATOM 0 HB2 MET B 85 71.626 -7.971 0.131 1.00 0.00 H new ATOM 0 HB3 MET B 85 72.129 -8.168 -1.536 1.00 0.00 H new ATOM 0 HG2 MET B 85 70.588 -10.078 -1.833 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.172 -10.058 -0.131 1.00 0.00 H new ATOM 0 HE1 MET B 85 68.710 -7.394 -3.517 1.00 0.00 H new ATOM 0 HE2 MET B 85 70.458 -7.458 -3.187 1.00 0.00 H new ATOM 0 HE3 MET B 85 69.565 -8.954 -3.548 1.00 0.00 H new ATOM 2996 N CYS B 86 74.157 -10.126 -2.211 1.00 0.00 N ATOM 2997 CA CYS B 86 74.603 -10.948 -3.369 1.00 0.00 C ATOM 2998 C CYS B 86 75.700 -10.220 -4.149 1.00 0.00 C ATOM 2999 O CYS B 86 75.465 -9.678 -5.210 1.00 0.00 O ATOM 3000 CB CYS B 86 73.411 -11.223 -4.294 1.00 0.00 C ATOM 3001 SG CYS B 86 72.399 -9.730 -4.426 1.00 0.00 S ATOM 0 H CYS B 86 74.612 -9.218 -2.114 1.00 0.00 H new ATOM 0 HA CYS B 86 75.003 -11.891 -2.997 1.00 0.00 H new ATOM 0 HB2 CYS B 86 73.764 -11.525 -5.280 1.00 0.00 H new ATOM 0 HB3 CYS B 86 72.815 -12.047 -3.902 1.00 0.00 H new ATOM 0 HG CYS B 86 71.443 -9.928 -5.284 1.00 0.00 H new ATOM 3007 N ASN B 87 76.900 -10.219 -3.643 1.00 0.00 N ATOM 3008 CA ASN B 87 78.013 -9.544 -4.369 1.00 0.00 C ATOM 3009 C ASN B 87 78.293 -10.298 -5.668 1.00 0.00 C ATOM 3010 O ASN B 87 78.540 -9.707 -6.702 1.00 0.00 O ATOM 3011 CB ASN B 87 79.266 -9.566 -3.497 1.00 0.00 C ATOM 3012 CG ASN B 87 79.652 -11.019 -3.209 1.00 0.00 C ATOM 3013 OD1 ASN B 87 80.139 -11.715 -4.079 1.00 0.00 O ATOM 3014 ND2 ASN B 87 79.446 -11.513 -2.019 1.00 0.00 N ATOM 0 H ASN B 87 77.160 -10.656 -2.759 1.00 0.00 H new ATOM 0 HA ASN B 87 77.737 -8.513 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN B 87 80.084 -9.053 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN B 87 79.084 -9.034 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN B 87 79.693 -12.482 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN B 87 79.038 -10.930 -1.288 1.00 0.00 H new ATOM 3021 N GLU B 88 78.253 -11.605 -5.619 1.00 0.00 N ATOM 3022 CA GLU B 88 78.514 -12.416 -6.843 1.00 0.00 C ATOM 3023 C GLU B 88 78.248 -13.892 -6.532 1.00 0.00 C ATOM 3024 O GLU B 88 77.363 -14.508 -7.093 1.00 0.00 O ATOM 3025 CB GLU B 88 79.977 -12.248 -7.269 1.00 0.00 C ATOM 3026 CG GLU B 88 80.198 -12.905 -8.634 1.00 0.00 C ATOM 3027 CD GLU B 88 79.486 -12.093 -9.717 1.00 0.00 C ATOM 3028 OE1 GLU B 88 79.200 -10.932 -9.468 1.00 0.00 O ATOM 3029 OE2 GLU B 88 79.239 -12.644 -10.777 1.00 0.00 O ATOM 0 H GLU B 88 78.050 -12.147 -4.779 1.00 0.00 H new ATOM 0 HA GLU B 88 77.860 -12.081 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU B 88 80.231 -11.189 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU B 88 80.636 -12.699 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU B 88 81.264 -12.964 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU B 88 79.818 -13.927 -8.623 1.00 0.00 H new ATOM 3036 N PHE B 89 79.017 -14.462 -5.643 1.00 0.00 N ATOM 3037 CA PHE B 89 78.823 -15.897 -5.290 1.00 0.00 C ATOM 3038 C PHE B 89 77.555 -16.062 -4.451 1.00 0.00 C ATOM 3039 O PHE B 89 77.311 -15.319 -3.521 1.00 0.00 O ATOM 3040 CB PHE B 89 80.031 -16.391 -4.493 1.00 0.00 C ATOM 3041 CG PHE B 89 81.278 -16.250 -5.334 1.00 0.00 C ATOM 3042 CD1 PHE B 89 81.565 -17.201 -6.320 1.00 0.00 C ATOM 3043 CD2 PHE B 89 82.141 -15.165 -5.135 1.00 0.00 C ATOM 3044 CE1 PHE B 89 82.715 -17.069 -7.105 1.00 0.00 C ATOM 3045 CE2 PHE B 89 83.291 -15.034 -5.920 1.00 0.00 C ATOM 3046 CZ PHE B 89 83.579 -15.985 -6.905 1.00 0.00 C ATOM 0 H PHE B 89 79.774 -13.993 -5.145 1.00 0.00 H new ATOM 0 HA PHE B 89 78.723 -16.481 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE B 89 80.133 -15.816 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE B 89 79.889 -17.433 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE B 89 80.899 -18.037 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE B 89 81.919 -14.430 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE B 89 82.937 -17.803 -7.865 1.00 0.00 H new ATOM 0 HE2 PHE B 89 83.957 -14.198 -5.766 1.00 0.00 H new ATOM 0 HZ PHE B 89 84.467 -15.883 -7.511 1.00 0.00 H new ATOM 3056 N PHE B 90 76.749 -17.041 -4.770 1.00 0.00 N ATOM 3057 CA PHE B 90 75.500 -17.275 -3.997 1.00 0.00 C ATOM 3058 C PHE B 90 75.799 -18.240 -2.843 1.00 0.00 C ATOM 3059 O PHE B 90 74.979 -18.455 -1.971 1.00 0.00 O ATOM 3060 CB PHE B 90 74.455 -17.892 -4.933 1.00 0.00 C ATOM 3061 CG PHE B 90 73.263 -18.338 -4.131 1.00 0.00 C ATOM 3062 CD1 PHE B 90 73.237 -19.624 -3.587 1.00 0.00 C ATOM 3063 CD2 PHE B 90 72.189 -17.468 -3.928 1.00 0.00 C ATOM 3064 CE1 PHE B 90 72.137 -20.043 -2.837 1.00 0.00 C ATOM 3065 CE2 PHE B 90 71.085 -17.885 -3.179 1.00 0.00 C ATOM 3066 CZ PHE B 90 71.058 -19.173 -2.631 1.00 0.00 C ATOM 0 H PHE B 90 76.907 -17.692 -5.539 1.00 0.00 H new ATOM 0 HA PHE B 90 75.121 -16.337 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE B 90 74.149 -17.164 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE B 90 74.885 -18.739 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE B 90 74.068 -20.295 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE B 90 72.212 -16.474 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE B 90 72.117 -21.037 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE B 90 70.253 -17.214 -3.023 1.00 0.00 H new ATOM 0 HZ PHE B 90 70.207 -19.496 -2.050 1.00 0.00 H new ATOM 3076 N GLU B 91 76.963 -18.829 -2.841 1.00 0.00 N ATOM 3077 CA GLU B 91 77.322 -19.792 -1.759 1.00 0.00 C ATOM 3078 C GLU B 91 77.430 -19.065 -0.417 1.00 0.00 C ATOM 3079 O GLU B 91 77.019 -19.572 0.608 1.00 0.00 O ATOM 3080 CB GLU B 91 78.665 -20.442 -2.093 1.00 0.00 C ATOM 3081 CG GLU B 91 78.492 -21.380 -3.287 1.00 0.00 C ATOM 3082 CD GLU B 91 79.858 -21.920 -3.711 1.00 0.00 C ATOM 3083 OE1 GLU B 91 80.497 -21.282 -4.530 1.00 0.00 O ATOM 3084 OE2 GLU B 91 80.241 -22.965 -3.211 1.00 0.00 O ATOM 0 H GLU B 91 77.686 -18.684 -3.546 1.00 0.00 H new ATOM 0 HA GLU B 91 76.546 -20.554 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU B 91 79.405 -19.676 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU B 91 79.037 -20.997 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU B 91 77.829 -22.204 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU B 91 78.025 -20.848 -4.116 1.00 0.00 H new ATOM 3091 N GLY B 92 77.989 -17.886 -0.409 1.00 0.00 N ATOM 3092 CA GLY B 92 78.130 -17.140 0.874 1.00 0.00 C ATOM 3093 C GLY B 92 76.788 -17.108 1.603 1.00 0.00 C ATOM 3094 O GLY B 92 75.754 -16.872 1.011 1.00 0.00 O ATOM 0 H GLY B 92 78.353 -17.408 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY B 92 78.884 -17.616 1.501 1.00 0.00 H new ATOM 0 HA3 GLY B 92 78.473 -16.124 0.679 1.00 0.00 H new ATOM 3098 N PHE B 93 76.794 -17.341 2.889 1.00 0.00 N ATOM 3099 CA PHE B 93 75.515 -17.319 3.657 1.00 0.00 C ATOM 3100 C PHE B 93 75.210 -15.864 4.062 1.00 0.00 C ATOM 3101 O PHE B 93 76.120 -15.095 4.297 1.00 0.00 O ATOM 3102 CB PHE B 93 75.669 -18.190 4.909 1.00 0.00 C ATOM 3103 CG PHE B 93 75.866 -19.627 4.489 1.00 0.00 C ATOM 3104 CD1 PHE B 93 77.131 -20.070 4.084 1.00 0.00 C ATOM 3105 CD2 PHE B 93 74.784 -20.517 4.496 1.00 0.00 C ATOM 3106 CE1 PHE B 93 77.315 -21.400 3.687 1.00 0.00 C ATOM 3107 CE2 PHE B 93 74.969 -21.847 4.098 1.00 0.00 C ATOM 3108 CZ PHE B 93 76.234 -22.289 3.694 1.00 0.00 C ATOM 0 H PHE B 93 77.628 -17.545 3.440 1.00 0.00 H new ATOM 0 HA PHE B 93 74.698 -17.708 3.049 1.00 0.00 H new ATOM 0 HB2 PHE B 93 76.519 -17.851 5.501 1.00 0.00 H new ATOM 0 HB3 PHE B 93 74.785 -18.100 5.541 1.00 0.00 H new ATOM 0 HD1 PHE B 93 77.966 -19.385 4.078 1.00 0.00 H new ATOM 0 HD2 PHE B 93 73.807 -20.178 4.808 1.00 0.00 H new ATOM 0 HE1 PHE B 93 78.292 -21.740 3.375 1.00 0.00 H new ATOM 0 HE2 PHE B 93 74.134 -22.532 4.103 1.00 0.00 H new ATOM 0 HZ PHE B 93 76.376 -23.315 3.388 1.00 0.00 H new ATOM 3118 N PRO B 94 73.954 -15.467 4.141 1.00 0.00 N ATOM 3119 CA PRO B 94 73.625 -14.062 4.524 1.00 0.00 C ATOM 3120 C PRO B 94 74.282 -13.659 5.855 1.00 0.00 C ATOM 3121 O PRO B 94 73.984 -14.206 6.898 1.00 0.00 O ATOM 3122 CB PRO B 94 72.083 -14.086 4.628 1.00 0.00 C ATOM 3123 CG PRO B 94 71.592 -15.518 4.323 1.00 0.00 C ATOM 3124 CD PRO B 94 72.796 -16.362 3.867 1.00 0.00 C ATOM 0 HA PRO B 94 73.995 -13.327 3.809 1.00 0.00 H new ATOM 0 HB2 PRO B 94 71.766 -13.782 5.626 1.00 0.00 H new ATOM 0 HB3 PRO B 94 71.645 -13.378 3.925 1.00 0.00 H new ATOM 0 HG2 PRO B 94 71.135 -15.958 5.209 1.00 0.00 H new ATOM 0 HG3 PRO B 94 70.827 -15.499 3.546 1.00 0.00 H new ATOM 0 HD2 PRO B 94 72.868 -17.297 4.423 1.00 0.00 H new ATOM 0 HD3 PRO B 94 72.729 -16.624 2.811 1.00 0.00 H new ATOM 3132 N ASP B 95 75.182 -12.709 5.817 1.00 0.00 N ATOM 3133 CA ASP B 95 75.875 -12.264 7.068 1.00 0.00 C ATOM 3134 C ASP B 95 75.202 -11.001 7.616 1.00 0.00 C ATOM 3135 O ASP B 95 75.739 -10.330 8.476 1.00 0.00 O ATOM 3136 CB ASP B 95 77.346 -11.965 6.755 1.00 0.00 C ATOM 3137 CG ASP B 95 77.447 -10.710 5.884 1.00 0.00 C ATOM 3138 OD1 ASP B 95 76.456 -10.360 5.267 1.00 0.00 O ATOM 3139 OD2 ASP B 95 78.515 -10.120 5.849 1.00 0.00 O ATOM 0 H ASP B 95 75.469 -12.219 4.970 1.00 0.00 H new ATOM 0 HA ASP B 95 75.812 -13.055 7.815 1.00 0.00 H new ATOM 0 HB2 ASP B 95 77.902 -11.821 7.681 1.00 0.00 H new ATOM 0 HB3 ASP B 95 77.797 -12.813 6.240 1.00 0.00 H new ATOM 3144 N LYS B 96 74.035 -10.670 7.129 1.00 0.00 N ATOM 3145 CA LYS B 96 73.336 -9.451 7.628 1.00 0.00 C ATOM 3146 C LYS B 96 72.916 -9.685 9.081 1.00 0.00 C ATOM 3147 O LYS B 96 71.750 -9.616 9.422 1.00 0.00 O ATOM 3148 CB LYS B 96 72.087 -9.186 6.781 1.00 0.00 C ATOM 3149 CG LYS B 96 72.483 -8.936 5.324 1.00 0.00 C ATOM 3150 CD LYS B 96 71.223 -8.674 4.495 1.00 0.00 C ATOM 3151 CE LYS B 96 71.606 -8.421 3.034 1.00 0.00 C ATOM 3152 NZ LYS B 96 70.381 -8.465 2.185 1.00 0.00 N ATOM 0 H LYS B 96 73.537 -11.191 6.408 1.00 0.00 H new ATOM 0 HA LYS B 96 74.004 -8.593 7.561 1.00 0.00 H new ATOM 0 HB2 LYS B 96 71.410 -10.038 6.841 1.00 0.00 H new ATOM 0 HB3 LYS B 96 71.549 -8.323 7.173 1.00 0.00 H new ATOM 0 HG2 LYS B 96 73.158 -8.083 5.260 1.00 0.00 H new ATOM 0 HG3 LYS B 96 73.020 -9.798 4.928 1.00 0.00 H new ATOM 0 HD2 LYS B 96 70.549 -9.528 4.561 1.00 0.00 H new ATOM 0 HD3 LYS B 96 70.687 -7.813 4.894 1.00 0.00 H new ATOM 0 HE2 LYS B 96 72.094 -7.451 2.937 1.00 0.00 H new ATOM 0 HE3 LYS B 96 72.321 -9.172 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 70.376 -9.343 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 69.537 -8.436 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 70.374 -7.647 1.543 1.00 0.00 H new ATOM 3166 N GLN B 97 73.861 -9.976 9.935 1.00 0.00 N ATOM 3167 CA GLN B 97 73.537 -10.236 11.372 1.00 0.00 C ATOM 3168 C GLN B 97 73.738 -8.991 12.278 1.00 0.00 C ATOM 3169 O GLN B 97 73.195 -8.963 13.364 1.00 0.00 O ATOM 3170 CB GLN B 97 74.448 -11.353 11.889 1.00 0.00 C ATOM 3171 CG GLN B 97 74.184 -12.643 11.109 1.00 0.00 C ATOM 3172 CD GLN B 97 75.205 -13.706 11.523 1.00 0.00 C ATOM 3173 OE1 GLN B 97 75.042 -14.361 12.533 1.00 0.00 O ATOM 3174 NE2 GLN B 97 76.260 -13.903 10.780 1.00 0.00 N ATOM 0 H GLN B 97 74.851 -10.046 9.699 1.00 0.00 H new ATOM 0 HA GLN B 97 72.483 -10.512 11.416 1.00 0.00 H new ATOM 0 HB2 GLN B 97 75.493 -11.061 11.783 1.00 0.00 H new ATOM 0 HB3 GLN B 97 74.270 -11.517 12.952 1.00 0.00 H new ATOM 0 HG2 GLN B 97 73.172 -12.999 11.305 1.00 0.00 H new ATOM 0 HG3 GLN B 97 74.254 -12.454 10.038 1.00 0.00 H new ATOM 0 HE21 GLN B 97 76.397 -13.353 9.932 1.00 0.00 H new ATOM 0 HE22 GLN B 97 76.948 -14.607 11.047 1.00 0.00 H new ATOM 3183 N PRO B 98 74.488 -7.969 11.893 1.00 0.00 N ATOM 3184 CA PRO B 98 74.656 -6.793 12.798 1.00 0.00 C ATOM 3185 C PRO B 98 73.309 -6.174 13.204 1.00 0.00 C ATOM 3186 O PRO B 98 72.259 -6.612 12.776 1.00 0.00 O ATOM 3187 CB PRO B 98 75.506 -5.830 11.950 1.00 0.00 C ATOM 3188 CG PRO B 98 76.076 -6.629 10.767 1.00 0.00 C ATOM 3189 CD PRO B 98 75.213 -7.888 10.589 1.00 0.00 C ATOM 0 HA PRO B 98 75.121 -7.050 13.750 1.00 0.00 H new ATOM 0 HB2 PRO B 98 74.899 -4.998 11.593 1.00 0.00 H new ATOM 0 HB3 PRO B 98 76.312 -5.404 12.547 1.00 0.00 H new ATOM 0 HG2 PRO B 98 76.064 -6.027 9.859 1.00 0.00 H new ATOM 0 HG3 PRO B 98 77.114 -6.902 10.955 1.00 0.00 H new ATOM 0 HD2 PRO B 98 74.526 -7.794 9.748 1.00 0.00 H new ATOM 0 HD3 PRO B 98 75.821 -8.774 10.407 1.00 0.00 H new ATOM 3197 N ARG B 99 73.334 -5.172 14.043 1.00 0.00 N ATOM 3198 CA ARG B 99 72.063 -4.533 14.502 1.00 0.00 C ATOM 3199 C ARG B 99 71.692 -3.364 13.585 1.00 0.00 C ATOM 3200 O ARG B 99 70.824 -2.574 13.898 1.00 0.00 O ATOM 3201 CB ARG B 99 72.245 -4.034 15.937 1.00 0.00 C ATOM 3202 CG ARG B 99 72.337 -5.242 16.872 1.00 0.00 C ATOM 3203 CD ARG B 99 72.519 -4.774 18.317 1.00 0.00 C ATOM 3204 NE ARG B 99 72.759 -5.960 19.188 1.00 0.00 N ATOM 3205 CZ ARG B 99 73.234 -5.801 20.394 1.00 0.00 C ATOM 3206 NH1 ARG B 99 73.508 -4.605 20.836 1.00 0.00 N ATOM 3207 NH2 ARG B 99 73.440 -6.840 21.158 1.00 0.00 N ATOM 0 H ARG B 99 74.185 -4.766 14.433 1.00 0.00 H new ATOM 0 HA ARG B 99 71.258 -5.267 14.467 1.00 0.00 H new ATOM 0 HB2 ARG B 99 73.148 -3.428 16.014 1.00 0.00 H new ATOM 0 HB3 ARG B 99 71.408 -3.398 16.224 1.00 0.00 H new ATOM 0 HG2 ARG B 99 71.434 -5.847 16.788 1.00 0.00 H new ATOM 0 HG3 ARG B 99 73.174 -5.876 16.579 1.00 0.00 H new ATOM 0 HD2 ARG B 99 73.358 -4.082 18.385 1.00 0.00 H new ATOM 0 HD3 ARG B 99 71.633 -4.235 18.652 1.00 0.00 H new ATOM 0 HE ARG B 99 72.552 -6.897 18.841 1.00 0.00 H new ATOM 0 HH11 ARG B 99 73.351 -3.793 20.240 1.00 0.00 H new ATOM 0 HH12 ARG B 99 73.879 -4.482 21.778 1.00 0.00 H new ATOM 0 HH21 ARG B 99 73.230 -7.777 20.813 1.00 0.00 H new ATOM 0 HH22 ARG B 99 73.811 -6.715 22.100 1.00 0.00 H new ATOM 3221 N LYS B 100 72.334 -3.244 12.453 1.00 0.00 N ATOM 3222 CA LYS B 100 71.999 -2.121 11.529 1.00 0.00 C ATOM 3223 C LYS B 100 70.543 -2.263 11.080 1.00 0.00 C ATOM 3224 O LYS B 100 70.054 -3.354 10.864 1.00 0.00 O ATOM 3225 CB LYS B 100 72.907 -2.161 10.298 1.00 0.00 C ATOM 3226 CG LYS B 100 72.822 -3.538 9.640 1.00 0.00 C ATOM 3227 CD LYS B 100 73.828 -3.614 8.489 1.00 0.00 C ATOM 3228 CE LYS B 100 73.613 -4.907 7.703 1.00 0.00 C ATOM 3229 NZ LYS B 100 72.254 -4.898 7.091 1.00 0.00 N ATOM 0 H LYS B 100 73.071 -3.871 12.130 1.00 0.00 H new ATOM 0 HA LYS B 100 72.144 -1.174 12.049 1.00 0.00 H new ATOM 0 HB2 LYS B 100 72.608 -1.389 9.589 1.00 0.00 H new ATOM 0 HB3 LYS B 100 73.936 -1.948 10.586 1.00 0.00 H new ATOM 0 HG2 LYS B 100 73.032 -4.317 10.373 1.00 0.00 H new ATOM 0 HG3 LYS B 100 71.813 -3.714 9.268 1.00 0.00 H new ATOM 0 HD2 LYS B 100 73.709 -2.753 7.831 1.00 0.00 H new ATOM 0 HD3 LYS B 100 74.845 -3.579 8.879 1.00 0.00 H new ATOM 0 HE2 LYS B 100 74.372 -5.003 6.927 1.00 0.00 H new ATOM 0 HE3 LYS B 100 73.720 -5.768 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 72.255 -5.488 6.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 71.564 -5.277 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 71.993 -3.923 6.840 1.00 0.00 H new ATOM 3243 N LYS B 101 69.848 -1.168 10.942 1.00 0.00 N ATOM 3244 CA LYS B 101 68.423 -1.236 10.509 1.00 0.00 C ATOM 3245 C LYS B 101 68.356 -1.564 9.016 1.00 0.00 C ATOM 3246 O LYS B 101 67.716 -0.817 8.294 1.00 0.00 O ATOM 3247 CB LYS B 101 67.755 0.116 10.768 1.00 0.00 C ATOM 3248 CG LYS B 101 67.749 0.401 12.271 1.00 0.00 C ATOM 3249 CD LYS B 101 67.080 1.752 12.531 1.00 0.00 C ATOM 3250 CE LYS B 101 67.074 2.037 14.034 1.00 0.00 C ATOM 3251 NZ LYS B 101 68.475 2.060 14.538 1.00 0.00 N ATOM 3252 OXT LYS B 101 68.944 -2.556 8.620 1.00 0.00 O ATOM 0 H LYS B 101 70.205 -0.228 11.110 1.00 0.00 H new ATOM 0 HA LYS B 101 67.906 -2.014 11.071 1.00 0.00 H new ATOM 0 HB2 LYS B 101 68.290 0.905 10.239 1.00 0.00 H new ATOM 0 HB3 LYS B 101 66.735 0.109 10.384 1.00 0.00 H new ATOM 0 HG2 LYS B 101 67.215 -0.389 12.800 1.00 0.00 H new ATOM 0 HG3 LYS B 101 68.769 0.408 12.655 1.00 0.00 H new ATOM 0 HD2 LYS B 101 67.614 2.542 12.002 1.00 0.00 H new ATOM 0 HD3 LYS B 101 66.060 1.745 12.147 1.00 0.00 H new ATOM 0 HE2 LYS B 101 66.589 2.993 14.232 1.00 0.00 H new ATOM 0 HE3 LYS B 101 66.500 1.273 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 68.513 2.586 15.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 68.804 1.086 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 69.088 2.524 13.838 1.00 0.00 H new TER 3266 LYS B 101