USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 1453 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 75 TYR OH : rot -149:sc= -0.396! USER MOD Set 1.2: B 77 TYR OH : rot 180:sc= 0.161 USER MOD Set 2.1: B 13 MET CE :methyl -128:sc= -6! (180deg=-4.1!) USER MOD Set 2.2: B 17 MET CE :methyl -111:sc= -0.693 (180deg=-0.363) USER MOD Set 2.3: B 72 HIS : no HD1:sc= -7.81! C(o=-15!,f=-16!) USER MOD Set 3.1: B 24 CYS SG : rot 140:sc= -0.886 USER MOD Set 3.2: B 41 HIS : no HE2:sc= -6.51! C(o=-7.4!,f=-12!) USER MOD Set 4.1: A 48 LYS NZ :NH3+ -162:sc= -1 (180deg=-0.25) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -134:sc= -1.08 (180deg=-0.23) USER MOD Set 5.1: A 24 CYS SG : rot 180:sc= -1.4 USER MOD Set 5.2: A 41 HIS : no HE2:sc= -6.29! C(o=-7.7!,f=-13!) USER MOD Set 6.1: A 14 SER OG : rot -77:sc= -0.973 USER MOD Set 6.2: A 17 MET CE :methyl -115:sc= 0 (180deg=-1.21) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0235 (180deg=-0.294) USER MOD Single : A 10 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.77) USER MOD Single : A 13 MET CE :methyl -164:sc= -4.67 (180deg=-4.97!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.6 F(o=-2.4!,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 21 SER OG : rot -21:sc= 0.817 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.518 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= -2.55! (180deg=-5.54!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.359 F(o=-1.6!,f=0.36) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.509 (180deg=-1.61) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.8!) USER MOD Single : A 53 THR OG1 : rot -150:sc= -0.0343 USER MOD Single : A 55 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-5.6!) USER MOD Single : A 56 CYS SG : rot -169:sc= -4.82! USER MOD Single : A 61 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 64 SER OG : rot -14:sc= -1.27 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -4.5 K(o=-4.5,f=-7.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0372 (180deg=-0.283) USER MOD Single : A 72 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-16!) USER MOD Single : A 75 TYR OH : rot -130:sc= -5.82! USER MOD Single : A 77 TYR OH : rot 150:sc= -2.43 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -2.73! (180deg=-3.43!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= 0.936 (180deg=0.727) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.224 F(o=-1.3,f=-0.22) USER MOD Single : B 14 SER OG : rot -75:sc= -0.307 USER MOD Single : B 18 GLN :FLIP amide:sc= -1.45 F(o=-3.6!,f=-1.5) USER MOD Single : B 19 GLN :FLIP amide:sc= -0.775 F(o=-1.9,f=-0.77) USER MOD Single : B 21 SER OG : rot -170:sc= -0.896 USER MOD Single : B 26 THR OG1 : rot 68:sc= 1.21 USER MOD Single : B 27 GLN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.62) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -153:sc= -2.28! (180deg=-3.93!) USER MOD Single : B 44 LYS NZ :NH3+ -127:sc= 0.847 (180deg=-1.24) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.0302 (180deg=-0.212) USER MOD Single : B 49 LYS NZ :NH3+ -123:sc= 0.155 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : B 53 THR OG1 : rot 180:sc= -1.42! USER MOD Single : B 55 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-6.8!) USER MOD Single : B 56 CYS SG : rot 37:sc= -1.73 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.183 F(o=-2,f=-0.18) USER MOD Single : B 64 SER OG : rot 117:sc= 0.26 USER MOD Single : B 65 TYR OH : rot 131:sc= 0.893 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -4.08 K(o=-4.1,f=-6.6!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.5!) USER MOD Single : B 87 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.133) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -137:sc= -2.56! (180deg=-3.13!) USER MOD Single : C 1 MET N :NH3+ -123:sc= -1.29 (180deg=-3.62!) USER MOD Single : C 2 LYS NZ :NH3+ -134:sc= -2.57! (180deg=-5.5!) USER MOD Single : C 4 THR OG1 : rot -172:sc= 1.36 USER MOD Single : C 7 GLN : amide:sc= -4.79 K(o=-4.8,f=-7.3!) USER MOD Single : D 4 THR OG1 : rot 112:sc= 1.73 USER MOD Single : D 7 GLN : amide:sc= -3.23! C(o=-3.2!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 -13.322 -6.583 -13.555 1.00 0.00 N ATOM 90 CA ALA A 6 -12.392 -6.724 -12.440 1.00 0.00 C ATOM 91 C ALA A 6 -12.606 -8.042 -11.706 1.00 0.00 C ATOM 92 O ALA A 6 -13.730 -8.389 -11.343 1.00 0.00 O ATOM 93 CB ALA A 6 -12.541 -5.555 -11.478 1.00 0.00 C ATOM 0 HA ALA A 6 -11.380 -6.724 -12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.841 -5.673 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.329 -4.623 -12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.560 -5.530 -11.091 1.00 0.00 H new ATOM 99 N VAL A 7 -11.518 -8.780 -11.498 1.00 0.00 N ATOM 100 CA VAL A 7 -11.580 -10.061 -10.820 1.00 0.00 C ATOM 101 C VAL A 7 -11.229 -9.948 -9.341 1.00 0.00 C ATOM 102 O VAL A 7 -10.295 -9.243 -8.962 1.00 0.00 O ATOM 103 CB VAL A 7 -10.625 -11.067 -11.471 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.045 -11.360 -12.903 1.00 0.00 C ATOM 105 CG2 VAL A 7 -9.190 -10.558 -11.420 1.00 0.00 C ATOM 0 H VAL A 7 -10.581 -8.506 -11.793 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.610 -10.406 -10.910 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.675 -11.998 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.353 -12.076 -13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.052 -11.777 -12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.031 -10.437 -13.482 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.528 -11.287 -11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.121 -9.610 -11.954 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.893 -10.412 -10.382 1.00 0.00 H new ATOM 115 N ILE A 8 -11.971 -10.677 -8.513 1.00 0.00 N ATOM 116 CA ILE A 8 -11.731 -10.691 -7.075 1.00 0.00 C ATOM 117 C ILE A 8 -10.563 -11.618 -6.751 1.00 0.00 C ATOM 118 O ILE A 8 -10.345 -12.616 -7.438 1.00 0.00 O ATOM 119 CB ILE A 8 -12.986 -11.133 -6.287 1.00 0.00 C ATOM 120 CG1 ILE A 8 -14.086 -10.074 -6.396 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.645 -11.389 -4.824 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.549 -9.817 -7.813 1.00 0.00 C ATOM 0 H ILE A 8 -12.746 -11.267 -8.815 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.488 -9.673 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.350 -12.063 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.940 -10.388 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.722 -9.140 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.543 -11.699 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.894 -12.176 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.254 -10.475 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.329 -9.055 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.708 -9.472 -8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.945 -10.739 -8.239 1.00 0.00 H new ATOM 134 N LYS A 9 -9.801 -11.278 -5.717 1.00 0.00 N ATOM 135 CA LYS A 9 -8.647 -12.086 -5.333 1.00 0.00 C ATOM 136 C LYS A 9 -8.568 -12.294 -3.822 1.00 0.00 C ATOM 137 O LYS A 9 -8.165 -13.362 -3.362 1.00 0.00 O ATOM 138 CB LYS A 9 -7.363 -11.434 -5.847 1.00 0.00 C ATOM 139 CG LYS A 9 -7.300 -11.348 -7.364 1.00 0.00 C ATOM 140 CD LYS A 9 -6.027 -10.665 -7.835 1.00 0.00 C ATOM 141 CE LYS A 9 -5.949 -10.619 -9.352 1.00 0.00 C ATOM 142 NZ LYS A 9 -5.950 -11.983 -9.950 1.00 0.00 N ATOM 0 H LYS A 9 -9.959 -10.456 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.765 -13.069 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.280 -10.431 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.505 -12.002 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.353 -12.351 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.166 -10.799 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.988 -9.651 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.161 -11.196 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.794 -10.051 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.044 -10.091 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.628 -11.929 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.310 -12.599 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.913 -12.374 -9.921 1.00 0.00 H new ATOM 156 N ASN A 10 -8.948 -11.282 -3.047 1.00 0.00 N ATOM 157 CA ASN A 10 -8.901 -11.392 -1.591 1.00 0.00 C ATOM 158 C ASN A 10 -10.075 -10.670 -0.934 1.00 0.00 C ATOM 159 O ASN A 10 -9.895 -9.904 0.012 1.00 0.00 O ATOM 160 CB ASN A 10 -7.581 -10.839 -1.051 1.00 0.00 C ATOM 161 CG ASN A 10 -6.374 -11.563 -1.618 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.252 -12.782 -1.495 1.00 0.00 O ATOM 163 ND2 ASN A 10 -5.471 -10.812 -2.237 1.00 0.00 N ATOM 0 H ASN A 10 -9.288 -10.386 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.973 -12.451 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.510 -9.778 -1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.573 -10.922 0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.635 -11.242 -2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.613 -9.805 -2.316 1.00 0.00 H new ATOM 170 N ALA A 11 -11.280 -10.931 -1.431 1.00 0.00 N ATOM 171 CA ALA A 11 -12.482 -10.318 -0.881 1.00 0.00 C ATOM 172 C ALA A 11 -12.674 -10.731 0.575 1.00 0.00 C ATOM 173 O ALA A 11 -12.370 -11.863 0.951 1.00 0.00 O ATOM 174 CB ALA A 11 -13.700 -10.701 -1.708 1.00 0.00 C ATOM 0 H ALA A 11 -11.449 -11.563 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.365 -9.235 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.589 -10.235 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.565 -10.359 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.819 -11.784 -1.700 1.00 0.00 H new ATOM 180 N ASP A 12 -13.170 -9.811 1.397 1.00 0.00 N ATOM 181 CA ASP A 12 -13.386 -10.097 2.811 1.00 0.00 C ATOM 182 C ASP A 12 -14.338 -9.087 3.447 1.00 0.00 C ATOM 183 O ASP A 12 -14.017 -8.467 4.461 1.00 0.00 O ATOM 184 CB ASP A 12 -12.049 -10.101 3.557 1.00 0.00 C ATOM 185 CG ASP A 12 -12.206 -10.437 5.028 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.702 -11.542 5.334 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.833 -9.596 5.872 1.00 0.00 O ATOM 0 H ASP A 12 -13.428 -8.867 1.111 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.845 -11.083 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.379 -10.824 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.579 -9.122 3.459 1.00 0.00 H new ATOM 192 N MET A 13 -15.516 -8.934 2.850 1.00 0.00 N ATOM 193 CA MET A 13 -16.519 -8.009 3.366 1.00 0.00 C ATOM 194 C MET A 13 -17.856 -8.209 2.658 1.00 0.00 C ATOM 195 O MET A 13 -18.016 -9.129 1.858 1.00 0.00 O ATOM 196 CB MET A 13 -16.053 -6.559 3.202 1.00 0.00 C ATOM 197 CG MET A 13 -15.752 -6.171 1.765 1.00 0.00 C ATOM 198 SD MET A 13 -15.553 -4.390 1.550 1.00 0.00 S ATOM 199 CE MET A 13 -14.248 -4.035 2.723 1.00 0.00 C ATOM 0 H MET A 13 -15.799 -9.438 2.010 1.00 0.00 H new ATOM 0 HA MET A 13 -16.652 -8.217 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 13 -16.822 -5.893 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.159 -6.404 3.805 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.842 -6.676 1.440 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.559 -6.522 1.122 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.211 -2.962 2.912 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.445 -4.562 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.293 -4.365 2.315 1.00 0.00 H new ATOM 209 N SER A 14 -18.815 -7.339 2.963 1.00 0.00 N ATOM 210 CA SER A 14 -20.140 -7.416 2.360 1.00 0.00 C ATOM 211 C SER A 14 -20.062 -7.258 0.845 1.00 0.00 C ATOM 212 O SER A 14 -19.254 -6.487 0.330 1.00 0.00 O ATOM 213 CB SER A 14 -21.058 -6.347 2.958 1.00 0.00 C ATOM 214 OG SER A 14 -20.501 -5.053 2.808 1.00 0.00 O ATOM 0 H SER A 14 -18.698 -6.572 3.625 1.00 0.00 H new ATOM 0 HA SER A 14 -20.555 -8.400 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 14 -22.032 -6.386 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -21.223 -6.555 4.015 1.00 0.00 H new ATOM 0 HG SER A 14 -19.794 -4.922 3.474 1.00 0.00 H new ATOM 220 N GLU A 15 -20.909 -8.002 0.140 1.00 0.00 N ATOM 221 CA GLU A 15 -20.941 -7.961 -1.318 1.00 0.00 C ATOM 222 C GLU A 15 -21.126 -6.539 -1.836 1.00 0.00 C ATOM 223 O GLU A 15 -20.475 -6.129 -2.796 1.00 0.00 O ATOM 224 CB GLU A 15 -22.067 -8.855 -1.845 1.00 0.00 C ATOM 225 CG GLU A 15 -21.930 -10.311 -1.431 1.00 0.00 C ATOM 226 CD GLU A 15 -23.054 -11.176 -1.965 1.00 0.00 C ATOM 227 OE1 GLU A 15 -24.226 -10.900 -1.632 1.00 0.00 O ATOM 228 OE2 GLU A 15 -22.764 -12.130 -2.718 1.00 0.00 O ATOM 0 H GLU A 15 -21.585 -8.643 0.557 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.981 -8.330 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.022 -8.472 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.088 -8.795 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.976 -10.699 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -21.912 -10.376 -0.343 1.00 0.00 H new ATOM 235 N GLU A 16 -22.023 -5.796 -1.205 1.00 0.00 N ATOM 236 CA GLU A 16 -22.301 -4.424 -1.614 1.00 0.00 C ATOM 237 C GLU A 16 -21.047 -3.555 -1.574 1.00 0.00 C ATOM 238 O GLU A 16 -20.762 -2.826 -2.525 1.00 0.00 O ATOM 239 CB GLU A 16 -23.389 -3.815 -0.725 1.00 0.00 C ATOM 240 CG GLU A 16 -23.020 -3.772 0.750 1.00 0.00 C ATOM 241 CD GLU A 16 -24.129 -3.199 1.611 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.236 -3.776 1.615 1.00 0.00 O ATOM 243 OE2 GLU A 16 -23.889 -2.171 2.280 1.00 0.00 O ATOM 0 H GLU A 16 -22.572 -6.118 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.652 -4.455 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.601 -2.802 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.307 -4.390 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -22.784 -4.780 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.119 -3.173 0.878 1.00 0.00 H new ATOM 250 N MET A 17 -20.303 -3.625 -0.477 1.00 0.00 N ATOM 251 CA MET A 17 -19.089 -2.828 -0.335 1.00 0.00 C ATOM 252 C MET A 17 -18.104 -3.102 -1.463 1.00 0.00 C ATOM 253 O MET A 17 -17.620 -2.177 -2.112 1.00 0.00 O ATOM 254 CB MET A 17 -18.428 -3.092 1.020 1.00 0.00 C ATOM 255 CG MET A 17 -19.243 -2.587 2.200 1.00 0.00 C ATOM 256 SD MET A 17 -18.500 -3.012 3.787 1.00 0.00 S ATOM 257 CE MET A 17 -19.683 -2.285 4.918 1.00 0.00 C ATOM 0 H MET A 17 -20.516 -4.221 0.323 1.00 0.00 H new ATOM 0 HA MET A 17 -19.377 -1.778 -0.390 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.265 -4.164 1.133 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.447 -2.617 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 17 -19.346 -1.504 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.248 -3.006 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 17 -19.206 -1.477 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 17 -20.528 -1.889 4.355 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.035 -3.046 5.615 1.00 0.00 H new ATOM 267 N GLN A 18 -17.813 -4.373 -1.697 1.00 0.00 N ATOM 268 CA GLN A 18 -16.885 -4.749 -2.757 1.00 0.00 C ATOM 269 C GLN A 18 -17.389 -4.283 -4.120 1.00 0.00 C ATOM 270 O GLN A 18 -16.603 -3.860 -4.966 1.00 0.00 O ATOM 271 CB GLN A 18 -16.644 -6.260 -2.756 1.00 0.00 C ATOM 272 CG GLN A 18 -17.914 -7.091 -2.743 1.00 0.00 C ATOM 273 CD GLN A 18 -17.622 -8.573 -2.624 1.00 0.00 C ATOM 274 OE1 GLN A 18 -17.917 -9.136 -1.459 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -17.120 -9.197 -3.557 1.00 0.00 N flip ATOM 0 H GLN A 18 -18.202 -5.157 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.935 -4.251 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.059 -6.524 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.043 -6.521 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.544 -6.778 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.478 -6.905 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.911 -8.721 -4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.913 -10.190 -3.453 1.00 0.00 H new ATOM 284 N GLN A 19 -18.701 -4.351 -4.324 1.00 0.00 N ATOM 285 CA GLN A 19 -19.293 -3.920 -5.587 1.00 0.00 C ATOM 286 C GLN A 19 -19.154 -2.413 -5.773 1.00 0.00 C ATOM 287 O GLN A 19 -18.801 -1.940 -6.853 1.00 0.00 O ATOM 288 CB GLN A 19 -20.767 -4.322 -5.660 1.00 0.00 C ATOM 289 CG GLN A 19 -20.985 -5.822 -5.787 1.00 0.00 C ATOM 290 CD GLN A 19 -22.453 -6.195 -5.826 1.00 0.00 C ATOM 291 OE1 GLN A 19 -23.190 -5.771 -6.719 1.00 0.00 O ATOM 292 NE2 GLN A 19 -22.888 -6.992 -4.857 1.00 0.00 N ATOM 0 H GLN A 19 -19.371 -4.698 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.752 -4.418 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.277 -3.964 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.229 -3.823 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.498 -6.181 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.507 -6.327 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -22.243 -7.319 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -23.867 -7.277 -4.832 1.00 0.00 H new ATOM 301 N ASP A 20 -19.426 -1.661 -4.711 1.00 0.00 N ATOM 302 CA ASP A 20 -19.326 -0.206 -4.763 1.00 0.00 C ATOM 303 C ASP A 20 -17.888 0.232 -4.980 1.00 0.00 C ATOM 304 O ASP A 20 -17.630 1.195 -5.698 1.00 0.00 O ATOM 305 CB ASP A 20 -19.885 0.422 -3.484 1.00 0.00 C ATOM 306 CG ASP A 20 -21.392 0.282 -3.380 1.00 0.00 C ATOM 307 OD1 ASP A 20 -21.886 -0.864 -3.404 1.00 0.00 O ATOM 308 OD2 ASP A 20 -22.077 1.320 -3.272 1.00 0.00 O ATOM 0 H ASP A 20 -19.716 -2.033 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 20 -19.921 0.140 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.419 -0.048 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.618 1.478 -3.455 1.00 0.00 H new ATOM 313 N SER A 21 -16.954 -0.477 -4.364 1.00 0.00 N ATOM 314 CA SER A 21 -15.543 -0.150 -4.511 1.00 0.00 C ATOM 315 C SER A 21 -15.089 -0.406 -5.943 1.00 0.00 C ATOM 316 O SER A 21 -14.340 0.385 -6.519 1.00 0.00 O ATOM 317 CB SER A 21 -14.698 -0.969 -3.534 1.00 0.00 C ATOM 318 OG SER A 21 -14.854 -2.359 -3.764 1.00 0.00 O ATOM 0 H SER A 21 -17.145 -1.277 -3.761 1.00 0.00 H new ATOM 0 HA SER A 21 -15.408 0.907 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.648 -0.696 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.988 -0.732 -2.510 1.00 0.00 H new ATOM 0 HG SER A 21 -15.692 -2.519 -4.246 1.00 0.00 H new ATOM 324 N VAL A 22 -15.553 -1.511 -6.514 1.00 0.00 N ATOM 325 CA VAL A 22 -15.202 -1.867 -7.882 1.00 0.00 C ATOM 326 C VAL A 22 -15.758 -0.846 -8.862 1.00 0.00 C ATOM 327 O VAL A 22 -15.042 -0.349 -9.731 1.00 0.00 O ATOM 328 CB VAL A 22 -15.725 -3.272 -8.253 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.330 -3.642 -9.675 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.219 -4.311 -7.262 1.00 0.00 C ATOM 0 H VAL A 22 -16.173 -2.175 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.114 -1.874 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.814 -3.253 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.710 -4.636 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.753 -2.917 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.244 -3.639 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.598 -5.294 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.129 -4.325 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.567 -4.058 -6.260 1.00 0.00 H new ATOM 340 N GLU A 23 -17.036 -0.526 -8.708 1.00 0.00 N ATOM 341 CA GLU A 23 -17.683 0.449 -9.573 1.00 0.00 C ATOM 342 C GLU A 23 -17.100 1.832 -9.320 1.00 0.00 C ATOM 343 O GLU A 23 -16.848 2.596 -10.250 1.00 0.00 O ATOM 344 CB GLU A 23 -19.191 0.466 -9.328 1.00 0.00 C ATOM 345 CG GLU A 23 -19.569 0.905 -7.925 1.00 0.00 C ATOM 346 CD GLU A 23 -21.065 0.862 -7.684 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.655 -0.232 -7.801 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.647 1.925 -7.378 1.00 0.00 O ATOM 0 H GLU A 23 -17.643 -0.927 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.503 0.168 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.661 1.135 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.592 -0.531 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.069 0.262 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.206 1.919 -7.755 1.00 0.00 H new ATOM 355 N CYS A 24 -16.890 2.139 -8.045 1.00 0.00 N ATOM 356 CA CYS A 24 -16.336 3.425 -7.645 1.00 0.00 C ATOM 357 C CYS A 24 -14.912 3.598 -8.168 1.00 0.00 C ATOM 358 O CYS A 24 -14.499 4.707 -8.504 1.00 0.00 O ATOM 359 CB CYS A 24 -16.359 3.563 -6.121 1.00 0.00 C ATOM 360 SG CYS A 24 -15.817 5.177 -5.516 1.00 0.00 S ATOM 0 H CYS A 24 -17.096 1.511 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.955 4.209 -8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.372 3.376 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.722 2.792 -5.688 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.874 5.195 -4.217 1.00 0.00 H new ATOM 366 N ALA A 25 -14.169 2.496 -8.249 1.00 0.00 N ATOM 367 CA ALA A 25 -12.806 2.541 -8.744 1.00 0.00 C ATOM 368 C ALA A 25 -12.810 2.832 -10.234 1.00 0.00 C ATOM 369 O ALA A 25 -11.994 3.606 -10.738 1.00 0.00 O ATOM 370 CB ALA A 25 -12.091 1.230 -8.456 1.00 0.00 C ATOM 0 H ALA A 25 -14.492 1.567 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.269 3.339 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.070 1.282 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.071 1.055 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.619 0.412 -8.947 1.00 0.00 H new ATOM 376 N THR A 26 -13.750 2.203 -10.934 1.00 0.00 N ATOM 377 CA THR A 26 -13.880 2.391 -12.369 1.00 0.00 C ATOM 378 C THR A 26 -14.156 3.854 -12.686 1.00 0.00 C ATOM 379 O THR A 26 -13.505 4.454 -13.546 1.00 0.00 O ATOM 380 CB THR A 26 -14.996 1.508 -12.927 1.00 0.00 C ATOM 381 OG1 THR A 26 -14.735 0.140 -12.660 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.187 1.655 -14.421 1.00 0.00 C ATOM 0 H THR A 26 -14.430 1.560 -10.528 1.00 0.00 H new ATOM 0 HA THR A 26 -12.942 2.101 -12.842 1.00 0.00 H new ATOM 0 HB THR A 26 -15.905 1.842 -12.427 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.832 -0.030 -11.700 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.994 1.001 -14.751 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.439 2.689 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.265 1.381 -14.934 1.00 0.00 H new ATOM 390 N GLN A 27 -15.113 4.428 -11.968 1.00 0.00 N ATOM 391 CA GLN A 27 -15.464 5.828 -12.153 1.00 0.00 C ATOM 392 C GLN A 27 -14.240 6.699 -11.913 1.00 0.00 C ATOM 393 O GLN A 27 -14.013 7.681 -12.618 1.00 0.00 O ATOM 394 CB GLN A 27 -16.593 6.229 -11.203 1.00 0.00 C ATOM 395 CG GLN A 27 -17.878 5.446 -11.421 1.00 0.00 C ATOM 396 CD GLN A 27 -18.981 5.854 -10.463 1.00 0.00 C ATOM 397 OE1 GLN A 27 -19.401 7.011 -10.439 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.453 4.904 -9.665 1.00 0.00 N ATOM 0 H GLN A 27 -15.658 3.946 -11.254 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.811 5.972 -13.176 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.260 6.086 -10.175 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.800 7.292 -11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.219 5.593 -12.446 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.675 4.382 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.075 3.958 -9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.194 5.120 -8.998 1.00 0.00 H new ATOM 407 N ALA A 28 -13.447 6.314 -10.915 1.00 0.00 N ATOM 408 CA ALA A 28 -12.229 7.039 -10.575 1.00 0.00 C ATOM 409 C ALA A 28 -11.329 7.190 -11.793 1.00 0.00 C ATOM 410 O ALA A 28 -10.862 8.285 -12.102 1.00 0.00 O ATOM 411 CB ALA A 28 -11.484 6.315 -9.466 1.00 0.00 C ATOM 0 H ALA A 28 -13.629 5.501 -10.327 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.509 8.034 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.576 6.864 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.120 6.250 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.222 5.311 -9.799 1.00 0.00 H new ATOM 417 N LEU A 29 -11.093 6.079 -12.483 1.00 0.00 N ATOM 418 CA LEU A 29 -10.251 6.090 -13.672 1.00 0.00 C ATOM 419 C LEU A 29 -10.808 7.041 -14.722 1.00 0.00 C ATOM 420 O LEU A 29 -10.069 7.804 -15.341 1.00 0.00 O ATOM 421 CB LEU A 29 -10.133 4.685 -14.253 1.00 0.00 C ATOM 422 CG LEU A 29 -9.251 3.742 -13.442 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.455 2.303 -13.885 1.00 0.00 C ATOM 424 CD2 LEU A 29 -7.789 4.140 -13.578 1.00 0.00 C ATOM 0 H LEU A 29 -11.472 5.164 -12.240 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.260 6.438 -13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.130 4.252 -14.332 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.735 4.755 -15.265 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.536 3.819 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.817 1.646 -13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.498 2.022 -13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.197 2.207 -14.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.171 3.458 -12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.494 4.090 -14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.653 5.158 -13.211 1.00 0.00 H new ATOM 436 N GLU A 30 -12.116 6.983 -14.915 1.00 0.00 N ATOM 437 CA GLU A 30 -12.785 7.834 -15.891 1.00 0.00 C ATOM 438 C GLU A 30 -12.599 9.313 -15.562 1.00 0.00 C ATOM 439 O GLU A 30 -12.525 10.151 -16.462 1.00 0.00 O ATOM 440 CB GLU A 30 -14.276 7.498 -15.951 1.00 0.00 C ATOM 441 CG GLU A 30 -14.564 6.050 -16.315 1.00 0.00 C ATOM 442 CD GLU A 30 -14.036 5.673 -17.685 1.00 0.00 C ATOM 443 OE1 GLU A 30 -12.807 5.750 -17.891 1.00 0.00 O ATOM 444 OE2 GLU A 30 -14.853 5.302 -18.554 1.00 0.00 O ATOM 0 H GLU A 30 -12.739 6.354 -14.408 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.332 7.644 -16.864 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.727 7.716 -14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.757 8.149 -16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.118 5.396 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.640 5.880 -16.286 1.00 0.00 H new ATOM 451 N LYS A 31 -12.540 9.635 -14.273 1.00 0.00 N ATOM 452 CA LYS A 31 -12.382 11.018 -13.840 1.00 0.00 C ATOM 453 C LYS A 31 -10.913 11.426 -13.750 1.00 0.00 C ATOM 454 O LYS A 31 -10.538 12.508 -14.197 1.00 0.00 O ATOM 455 CB LYS A 31 -13.077 11.238 -12.495 1.00 0.00 C ATOM 456 CG LYS A 31 -12.635 10.268 -11.416 1.00 0.00 C ATOM 457 CD LYS A 31 -13.184 10.644 -10.045 1.00 0.00 C ATOM 458 CE LYS A 31 -14.701 10.535 -9.986 1.00 0.00 C ATOM 459 NZ LYS A 31 -15.379 11.599 -10.777 1.00 0.00 N ATOM 0 H LYS A 31 -12.599 8.958 -13.512 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.851 11.650 -14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.883 12.256 -12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.154 11.148 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.967 9.263 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.546 10.244 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.745 9.994 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.885 11.664 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.007 9.558 -10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.027 10.595 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.183 11.976 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.706 12.366 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.723 11.199 -11.673 1.00 0.00 H new ATOM 473 N TYR A 32 -10.085 10.565 -13.168 1.00 0.00 N ATOM 474 CA TYR A 32 -8.661 10.870 -13.033 1.00 0.00 C ATOM 475 C TYR A 32 -7.804 9.987 -13.931 1.00 0.00 C ATOM 476 O TYR A 32 -6.892 10.468 -14.602 1.00 0.00 O ATOM 477 CB TYR A 32 -8.192 10.728 -11.579 1.00 0.00 C ATOM 478 CG TYR A 32 -8.758 11.769 -10.639 1.00 0.00 C ATOM 479 CD1 TYR A 32 -9.971 11.573 -9.994 1.00 0.00 C ATOM 480 CD2 TYR A 32 -8.077 12.959 -10.405 1.00 0.00 C ATOM 481 CE1 TYR A 32 -10.491 12.530 -9.143 1.00 0.00 C ATOM 482 CE2 TYR A 32 -8.589 13.919 -9.554 1.00 0.00 C ATOM 483 CZ TYR A 32 -9.796 13.700 -8.926 1.00 0.00 C ATOM 484 OH TYR A 32 -10.310 14.654 -8.078 1.00 0.00 O ATOM 0 H TYR A 32 -10.367 9.662 -12.786 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.537 11.907 -13.346 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.468 9.738 -11.215 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.104 10.785 -11.553 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.518 10.657 -10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.132 13.135 -10.897 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.437 12.362 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.046 14.837 -9.382 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.697 15.417 -8.034 1.00 0.00 H new ATOM 494 N ASN A 33 -8.090 8.690 -13.929 1.00 0.00 N ATOM 495 CA ASN A 33 -7.331 7.740 -14.735 1.00 0.00 C ATOM 496 C ASN A 33 -5.907 7.616 -14.200 1.00 0.00 C ATOM 497 O ASN A 33 -4.940 7.605 -14.962 1.00 0.00 O ATOM 498 CB ASN A 33 -7.309 8.178 -16.205 1.00 0.00 C ATOM 499 CG ASN A 33 -6.794 7.093 -17.134 1.00 0.00 C ATOM 500 OD1 ASN A 33 -7.640 6.662 -18.063 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -5.653 6.647 -17.019 1.00 0.00 N flip ATOM 0 H ASN A 33 -8.841 8.272 -13.379 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.817 6.766 -14.672 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.316 8.463 -16.510 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.682 9.064 -16.306 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.036 7.007 -16.291 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.324 5.918 -17.652 1.00 0.00 H new ATOM 508 N ILE A 34 -5.787 7.528 -12.877 1.00 0.00 N ATOM 509 CA ILE A 34 -4.488 7.407 -12.226 1.00 0.00 C ATOM 510 C ILE A 34 -4.628 6.692 -10.884 1.00 0.00 C ATOM 511 O ILE A 34 -5.384 7.125 -10.017 1.00 0.00 O ATOM 512 CB ILE A 34 -3.846 8.790 -11.996 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.683 9.531 -13.325 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.502 8.651 -11.291 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.027 10.888 -13.185 1.00 0.00 C ATOM 0 H ILE A 34 -6.579 7.538 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.845 6.826 -12.887 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.507 9.372 -11.354 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.089 8.918 -14.003 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.664 9.656 -13.784 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.067 9.639 -11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.646 8.165 -10.326 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.830 8.049 -11.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.944 11.355 -14.166 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.631 11.519 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.033 10.769 -12.755 1.00 0.00 H new ATOM 527 N GLU A 35 -3.896 5.593 -10.727 1.00 0.00 N ATOM 528 CA GLU A 35 -3.940 4.798 -9.499 1.00 0.00 C ATOM 529 C GLU A 35 -3.909 5.675 -8.247 1.00 0.00 C ATOM 530 O GLU A 35 -4.666 5.446 -7.303 1.00 0.00 O ATOM 531 CB GLU A 35 -2.769 3.814 -9.475 1.00 0.00 C ATOM 532 CG GLU A 35 -1.408 4.482 -9.564 1.00 0.00 C ATOM 533 CD GLU A 35 -0.271 3.481 -9.606 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.230 2.667 -10.551 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.582 3.511 -8.693 1.00 0.00 O ATOM 0 H GLU A 35 -3.261 5.229 -11.438 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.883 4.251 -9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.817 3.228 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.876 3.115 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.371 5.106 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.275 5.143 -8.707 1.00 0.00 H new ATOM 542 N LYS A 36 -3.031 6.670 -8.240 1.00 0.00 N ATOM 543 CA LYS A 36 -2.907 7.569 -7.095 1.00 0.00 C ATOM 544 C LYS A 36 -4.226 8.283 -6.800 1.00 0.00 C ATOM 545 O LYS A 36 -4.772 8.174 -5.702 1.00 0.00 O ATOM 546 CB LYS A 36 -1.817 8.608 -7.354 1.00 0.00 C ATOM 547 CG LYS A 36 -1.585 9.551 -6.186 1.00 0.00 C ATOM 548 CD LYS A 36 -0.680 10.708 -6.577 1.00 0.00 C ATOM 549 CE LYS A 36 -1.330 11.595 -7.626 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.468 12.755 -7.986 1.00 0.00 N ATOM 0 H LYS A 36 -2.395 6.876 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.640 6.963 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.884 8.094 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.086 9.192 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.541 9.938 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.138 9.002 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.444 11.301 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.263 10.320 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.538 11.007 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.288 11.957 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.948 13.335 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.290 13.331 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.436 12.410 -8.367 1.00 0.00 H new ATOM 564 N ASP A 37 -4.726 9.021 -7.786 1.00 0.00 N ATOM 565 CA ASP A 37 -5.974 9.768 -7.635 1.00 0.00 C ATOM 566 C ASP A 37 -7.134 8.851 -7.258 1.00 0.00 C ATOM 567 O ASP A 37 -7.946 9.187 -6.395 1.00 0.00 O ATOM 568 CB ASP A 37 -6.304 10.514 -8.929 1.00 0.00 C ATOM 569 CG ASP A 37 -5.229 11.515 -9.308 1.00 0.00 C ATOM 570 OD1 ASP A 37 -4.968 12.438 -8.507 1.00 0.00 O ATOM 571 OD2 ASP A 37 -4.649 11.376 -10.406 1.00 0.00 O ATOM 0 H ASP A 37 -4.286 9.119 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.833 10.486 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.429 9.795 -9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.256 11.033 -8.814 1.00 0.00 H new ATOM 576 N ILE A 38 -7.208 7.694 -7.908 1.00 0.00 N ATOM 577 CA ILE A 38 -8.271 6.726 -7.643 1.00 0.00 C ATOM 578 C ILE A 38 -8.434 6.481 -6.143 1.00 0.00 C ATOM 579 O ILE A 38 -9.534 6.579 -5.597 1.00 0.00 O ATOM 580 CB ILE A 38 -7.970 5.379 -8.344 1.00 0.00 C ATOM 581 CG1 ILE A 38 -7.895 5.571 -9.859 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.019 4.330 -7.998 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.378 4.352 -10.592 1.00 0.00 C ATOM 0 H ILE A 38 -6.543 7.402 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.197 7.144 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.005 5.024 -7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.887 5.820 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.248 6.420 -10.079 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.780 3.395 -8.505 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.028 4.166 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.001 4.677 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.350 4.556 -11.662 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.373 4.115 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.038 3.506 -10.401 1.00 0.00 H new ATOM 595 N ALA A 39 -7.329 6.153 -5.491 1.00 0.00 N ATOM 596 CA ALA A 39 -7.325 5.874 -4.061 1.00 0.00 C ATOM 597 C ALA A 39 -7.692 7.102 -3.229 1.00 0.00 C ATOM 598 O ALA A 39 -8.246 6.972 -2.140 1.00 0.00 O ATOM 599 CB ALA A 39 -5.960 5.349 -3.643 1.00 0.00 C ATOM 0 H ALA A 39 -6.414 6.073 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.087 5.118 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.962 5.142 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.740 4.432 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.199 6.096 -3.866 1.00 0.00 H new ATOM 605 N ALA A 40 -7.360 8.286 -3.729 1.00 0.00 N ATOM 606 CA ALA A 40 -7.635 9.521 -3.000 1.00 0.00 C ATOM 607 C ALA A 40 -9.130 9.796 -2.859 1.00 0.00 C ATOM 608 O ALA A 40 -9.661 9.852 -1.746 1.00 0.00 O ATOM 609 CB ALA A 40 -6.950 10.693 -3.687 1.00 0.00 C ATOM 0 H ALA A 40 -6.903 8.419 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.235 9.398 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.160 11.610 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.874 10.522 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.325 10.787 -4.706 1.00 0.00 H new ATOM 615 N HIS A 41 -9.800 9.985 -3.987 1.00 0.00 N ATOM 616 CA HIS A 41 -11.226 10.280 -3.984 1.00 0.00 C ATOM 617 C HIS A 41 -12.029 9.134 -3.368 1.00 0.00 C ATOM 618 O HIS A 41 -12.903 9.357 -2.532 1.00 0.00 O ATOM 619 CB HIS A 41 -11.705 10.575 -5.411 1.00 0.00 C ATOM 620 CG HIS A 41 -12.431 9.440 -6.061 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.726 9.097 -5.737 1.00 0.00 N ATOM 622 CD2 HIS A 41 -12.036 8.559 -7.009 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.099 8.056 -6.458 1.00 0.00 C ATOM 624 NE2 HIS A 41 -13.094 7.709 -7.239 1.00 0.00 N ATOM 0 H HIS A 41 -9.380 9.939 -4.915 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.391 11.164 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.360 11.446 -5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.843 10.839 -6.024 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.306 9.574 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.072 8.528 -7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.063 7.571 -6.416 1.00 0.00 H new ATOM 633 N ILE A 42 -11.734 7.908 -3.793 1.00 0.00 N ATOM 634 CA ILE A 42 -12.440 6.737 -3.284 1.00 0.00 C ATOM 635 C ILE A 42 -12.322 6.637 -1.764 1.00 0.00 C ATOM 636 O ILE A 42 -13.283 6.275 -1.085 1.00 0.00 O ATOM 637 CB ILE A 42 -11.927 5.439 -3.944 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.160 5.493 -5.450 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.616 4.220 -3.344 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.580 4.309 -6.186 1.00 0.00 C ATOM 0 H ILE A 42 -11.014 7.701 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.492 6.859 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.857 5.352 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.232 5.543 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.721 6.409 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.240 3.316 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.411 4.176 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.692 4.294 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.781 4.410 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.503 4.270 -6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.037 3.391 -5.816 1.00 0.00 H new ATOM 652 N LYS A 43 -11.148 6.964 -1.231 1.00 0.00 N ATOM 653 CA LYS A 43 -10.931 6.913 0.210 1.00 0.00 C ATOM 654 C LYS A 43 -11.877 7.876 0.918 1.00 0.00 C ATOM 655 O LYS A 43 -12.563 7.503 1.870 1.00 0.00 O ATOM 656 CB LYS A 43 -9.476 7.266 0.545 1.00 0.00 C ATOM 657 CG LYS A 43 -9.044 6.904 1.963 1.00 0.00 C ATOM 658 CD LYS A 43 -9.775 7.712 3.028 1.00 0.00 C ATOM 659 CE LYS A 43 -9.644 9.209 2.794 1.00 0.00 C ATOM 660 NZ LYS A 43 -10.332 9.999 3.851 1.00 0.00 N ATOM 0 H LYS A 43 -10.337 7.265 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.133 5.899 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.821 6.757 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.333 8.336 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.223 5.842 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.971 7.066 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.830 7.436 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.376 7.462 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.589 9.481 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.064 9.462 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.814 10.886 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.302 10.216 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.362 9.448 4.732 1.00 0.00 H new ATOM 674 N LYS A 44 -11.906 9.119 0.449 1.00 0.00 N ATOM 675 CA LYS A 44 -12.765 10.139 1.045 1.00 0.00 C ATOM 676 C LYS A 44 -14.234 9.721 1.030 1.00 0.00 C ATOM 677 O LYS A 44 -14.942 9.894 2.022 1.00 0.00 O ATOM 678 CB LYS A 44 -12.592 11.474 0.318 1.00 0.00 C ATOM 679 CG LYS A 44 -11.184 12.038 0.411 1.00 0.00 C ATOM 680 CD LYS A 44 -11.075 13.386 -0.285 1.00 0.00 C ATOM 681 CE LYS A 44 -11.392 13.275 -1.767 1.00 0.00 C ATOM 682 NZ LYS A 44 -11.294 14.591 -2.457 1.00 0.00 N ATOM 0 H LYS A 44 -11.347 9.445 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.461 10.255 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.854 11.343 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.293 12.198 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.902 12.145 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.480 11.338 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.759 14.094 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.068 13.783 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.705 12.569 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.397 12.873 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.518 14.472 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.968 15.258 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.328 14.964 -2.358 1.00 0.00 H new ATOM 696 N GLU A 45 -14.691 9.180 -0.094 1.00 0.00 N ATOM 697 CA GLU A 45 -16.082 8.754 -0.217 1.00 0.00 C ATOM 698 C GLU A 45 -16.442 7.738 0.864 1.00 0.00 C ATOM 699 O GLU A 45 -17.419 7.915 1.591 1.00 0.00 O ATOM 700 CB GLU A 45 -16.341 8.155 -1.603 1.00 0.00 C ATOM 701 CG GLU A 45 -16.120 9.136 -2.744 1.00 0.00 C ATOM 702 CD GLU A 45 -17.049 10.332 -2.680 1.00 0.00 C ATOM 703 OE1 GLU A 45 -16.976 11.091 -1.691 1.00 0.00 O ATOM 704 OE2 GLU A 45 -17.853 10.510 -3.620 1.00 0.00 O ATOM 0 H GLU A 45 -14.124 9.026 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.712 9.634 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.688 7.294 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.367 7.788 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.087 9.483 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.264 8.620 -3.693 1.00 0.00 H new ATOM 711 N PHE A 46 -15.645 6.680 0.974 1.00 0.00 N ATOM 712 CA PHE A 46 -15.887 5.651 1.981 1.00 0.00 C ATOM 713 C PHE A 46 -15.690 6.214 3.384 1.00 0.00 C ATOM 714 O PHE A 46 -16.475 5.940 4.292 1.00 0.00 O ATOM 715 CB PHE A 46 -14.970 4.447 1.754 1.00 0.00 C ATOM 716 CG PHE A 46 -15.374 3.599 0.579 1.00 0.00 C ATOM 717 CD1 PHE A 46 -16.599 2.953 0.568 1.00 0.00 C ATOM 718 CD2 PHE A 46 -14.533 3.450 -0.512 1.00 0.00 C ATOM 719 CE1 PHE A 46 -16.978 2.170 -0.506 1.00 0.00 C ATOM 720 CE2 PHE A 46 -14.907 2.669 -1.591 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.131 2.028 -1.588 1.00 0.00 C ATOM 0 H PHE A 46 -14.831 6.512 0.383 1.00 0.00 H new ATOM 0 HA PHE A 46 -16.921 5.319 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.950 4.800 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -14.964 3.830 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.267 3.063 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.575 3.949 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.935 1.670 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.242 2.560 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.425 1.418 -2.429 1.00 0.00 H new ATOM 731 N ASP A 47 -14.643 7.014 3.546 1.00 0.00 N ATOM 732 CA ASP A 47 -14.338 7.635 4.829 1.00 0.00 C ATOM 733 C ASP A 47 -15.497 8.517 5.285 1.00 0.00 C ATOM 734 O ASP A 47 -15.792 8.612 6.473 1.00 0.00 O ATOM 735 CB ASP A 47 -13.060 8.472 4.710 1.00 0.00 C ATOM 736 CG ASP A 47 -12.693 9.172 6.005 1.00 0.00 C ATOM 737 OD1 ASP A 47 -13.533 9.935 6.528 1.00 0.00 O ATOM 738 OD2 ASP A 47 -11.560 8.966 6.486 1.00 0.00 O ATOM 0 H ASP A 47 -13.988 7.249 2.800 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.187 6.850 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.236 7.827 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.190 9.216 3.924 1.00 0.00 H new ATOM 743 N LYS A 48 -16.134 9.174 4.324 1.00 0.00 N ATOM 744 CA LYS A 48 -17.249 10.066 4.609 1.00 0.00 C ATOM 745 C LYS A 48 -18.550 9.285 4.805 1.00 0.00 C ATOM 746 O LYS A 48 -19.330 9.566 5.715 1.00 0.00 O ATOM 747 CB LYS A 48 -17.407 11.056 3.452 1.00 0.00 C ATOM 748 CG LYS A 48 -18.007 12.393 3.851 1.00 0.00 C ATOM 749 CD LYS A 48 -19.356 12.232 4.530 1.00 0.00 C ATOM 750 CE LYS A 48 -20.371 11.573 3.611 1.00 0.00 C ATOM 751 NZ LYS A 48 -20.644 12.400 2.404 1.00 0.00 N ATOM 0 H LYS A 48 -15.895 9.105 3.335 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.038 10.602 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.430 11.229 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.036 10.603 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.323 12.911 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.119 13.019 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.240 11.633 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.726 13.209 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.002 10.594 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.300 11.407 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.535 12.090 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.723 13.400 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.866 12.288 1.723 1.00 0.00 H new ATOM 765 N LYS A 49 -18.784 8.319 3.927 1.00 0.00 N ATOM 766 CA LYS A 49 -19.999 7.509 3.968 1.00 0.00 C ATOM 767 C LYS A 49 -19.953 6.428 5.044 1.00 0.00 C ATOM 768 O LYS A 49 -20.724 6.452 6.002 1.00 0.00 O ATOM 769 CB LYS A 49 -20.234 6.853 2.606 1.00 0.00 C ATOM 770 CG LYS A 49 -20.463 7.847 1.483 1.00 0.00 C ATOM 771 CD LYS A 49 -21.626 8.770 1.794 1.00 0.00 C ATOM 772 CE LYS A 49 -21.908 9.718 0.640 1.00 0.00 C ATOM 773 NZ LYS A 49 -20.712 10.529 0.281 1.00 0.00 N ATOM 0 H LYS A 49 -18.144 8.074 3.171 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.819 8.184 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.374 6.231 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.097 6.191 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.560 8.437 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -20.659 7.311 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -22.516 8.177 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.405 9.345 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.232 9.145 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.729 10.382 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.990 11.524 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.002 10.454 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.307 10.175 -0.609 1.00 0.00 H new ATOM 787 N TYR A 50 -19.066 5.467 4.850 1.00 0.00 N ATOM 788 CA TYR A 50 -18.929 4.342 5.770 1.00 0.00 C ATOM 789 C TYR A 50 -18.138 4.702 7.024 1.00 0.00 C ATOM 790 O TYR A 50 -18.239 4.008 8.034 1.00 0.00 O ATOM 791 CB TYR A 50 -18.282 3.157 5.056 1.00 0.00 C ATOM 792 CG TYR A 50 -19.124 2.602 3.926 1.00 0.00 C ATOM 793 CD1 TYR A 50 -19.479 3.397 2.844 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.574 1.290 3.949 1.00 0.00 C ATOM 795 CE1 TYR A 50 -20.255 2.902 1.817 1.00 0.00 C ATOM 796 CE2 TYR A 50 -20.351 0.783 2.923 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.688 1.594 1.859 1.00 0.00 C ATOM 798 OH TYR A 50 -21.462 1.096 0.836 1.00 0.00 O ATOM 0 H TYR A 50 -18.424 5.441 4.058 1.00 0.00 H new ATOM 0 HA TYR A 50 -19.933 4.069 6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.314 3.465 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.093 2.365 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -19.141 4.422 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -19.313 0.654 4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -20.522 3.536 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -20.692 -0.241 2.955 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.682 0.159 1.019 1.00 0.00 H new ATOM 808 N ASN A 51 -17.344 5.772 6.948 1.00 0.00 N ATOM 809 CA ASN A 51 -16.516 6.226 8.073 1.00 0.00 C ATOM 810 C ASN A 51 -15.127 5.604 7.989 1.00 0.00 C ATOM 811 O ASN A 51 -14.976 4.458 7.570 1.00 0.00 O ATOM 812 CB ASN A 51 -17.154 5.907 9.433 1.00 0.00 C ATOM 813 CG ASN A 51 -18.533 6.520 9.590 1.00 0.00 C ATOM 814 OD1 ASN A 51 -19.449 6.222 8.825 1.00 0.00 O ATOM 815 ND2 ASN A 51 -18.685 7.384 10.587 1.00 0.00 N ATOM 0 H ASN A 51 -17.255 6.347 6.110 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.436 7.310 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.226 4.826 9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.505 6.273 10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -19.589 7.830 10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.898 7.602 11.198 1.00 0.00 H new ATOM 822 N PRO A 52 -14.089 6.363 8.372 1.00 0.00 N ATOM 823 CA PRO A 52 -12.705 5.892 8.318 1.00 0.00 C ATOM 824 C PRO A 52 -12.474 4.611 9.126 1.00 0.00 C ATOM 825 O PRO A 52 -13.353 4.178 9.872 1.00 0.00 O ATOM 826 CB PRO A 52 -11.894 7.051 8.917 1.00 0.00 C ATOM 827 CG PRO A 52 -12.890 7.911 9.619 1.00 0.00 C ATOM 828 CD PRO A 52 -14.177 7.746 8.867 1.00 0.00 C ATOM 0 HA PRO A 52 -12.419 5.635 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.136 6.684 9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.373 7.609 8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.004 7.607 10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.571 8.953 9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.044 7.891 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.264 8.463 8.051 1.00 0.00 H new ATOM 836 N THR A 53 -11.286 3.998 8.977 1.00 0.00 N ATOM 837 CA THR A 53 -10.243 4.512 8.092 1.00 0.00 C ATOM 838 C THR A 53 -9.945 3.532 6.965 1.00 0.00 C ATOM 839 O THR A 53 -9.378 2.463 7.187 1.00 0.00 O ATOM 840 CB THR A 53 -8.971 4.790 8.895 1.00 0.00 C ATOM 841 OG1 THR A 53 -7.996 5.426 8.090 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.341 3.541 9.474 1.00 0.00 C ATOM 0 H THR A 53 -11.030 3.140 9.465 1.00 0.00 H new ATOM 0 HA THR A 53 -10.601 5.440 7.646 1.00 0.00 H new ATOM 0 HB THR A 53 -9.287 5.433 9.716 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.101 5.180 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.444 3.811 10.031 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.050 3.052 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.075 2.859 8.666 1.00 0.00 H new ATOM 850 N TRP A 54 -10.340 3.909 5.756 1.00 0.00 N ATOM 851 CA TRP A 54 -10.136 3.073 4.582 1.00 0.00 C ATOM 852 C TRP A 54 -8.768 3.275 3.957 1.00 0.00 C ATOM 853 O TRP A 54 -8.396 4.388 3.579 1.00 0.00 O ATOM 854 CB TRP A 54 -11.223 3.350 3.553 1.00 0.00 C ATOM 855 CG TRP A 54 -12.583 3.091 4.097 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.190 3.762 5.116 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.493 2.073 3.679 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.426 3.228 5.359 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.641 2.188 4.486 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.451 1.079 2.699 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.735 1.341 4.341 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.538 0.239 2.557 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.668 0.375 3.374 1.00 0.00 C ATOM 0 H TRP A 54 -10.807 4.795 5.563 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.191 2.035 4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.155 4.387 3.224 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -11.059 2.726 2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.759 4.594 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.081 3.549 6.072 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.584 0.969 2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.607 1.442 4.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.517 -0.535 1.804 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.503 -0.296 3.238 1.00 0.00 H new ATOM 874 N HIS A 55 -8.039 2.179 3.824 1.00 0.00 N ATOM 875 CA HIS A 55 -6.725 2.205 3.212 1.00 0.00 C ATOM 876 C HIS A 55 -6.868 1.939 1.722 1.00 0.00 C ATOM 877 O HIS A 55 -7.564 1.003 1.323 1.00 0.00 O ATOM 878 CB HIS A 55 -5.823 1.158 3.863 1.00 0.00 C ATOM 879 CG HIS A 55 -5.840 1.227 5.357 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.582 2.384 6.054 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.092 0.277 6.287 1.00 0.00 C ATOM 882 CE1 HIS A 55 -5.668 2.146 7.349 1.00 0.00 C ATOM 883 NE2 HIS A 55 -5.976 0.873 7.519 1.00 0.00 N ATOM 0 H HIS A 55 -8.340 1.255 4.135 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.268 3.184 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.140 0.164 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.801 1.295 3.509 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.359 3.287 5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.338 -0.757 6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.513 2.869 8.136 1.00 0.00 H new ATOM 892 N CYS A 56 -6.235 2.771 0.904 1.00 0.00 N ATOM 893 CA CYS A 56 -6.332 2.618 -0.541 1.00 0.00 C ATOM 894 C CYS A 56 -4.967 2.399 -1.181 1.00 0.00 C ATOM 895 O CYS A 56 -3.977 3.025 -0.803 1.00 0.00 O ATOM 896 CB CYS A 56 -7.007 3.840 -1.159 1.00 0.00 C ATOM 897 SG CYS A 56 -8.675 4.154 -0.537 1.00 0.00 S ATOM 0 H CYS A 56 -5.655 3.551 1.213 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.937 1.732 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.389 4.718 -0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.052 3.709 -2.240 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.250 5.058 -1.274 1.00 0.00 H new ATOM 903 N ILE A 57 -4.936 1.505 -2.160 1.00 0.00 N ATOM 904 CA ILE A 57 -3.717 1.180 -2.882 1.00 0.00 C ATOM 905 C ILE A 57 -4.063 0.730 -4.297 1.00 0.00 C ATOM 906 O ILE A 57 -5.022 -0.018 -4.498 1.00 0.00 O ATOM 907 CB ILE A 57 -2.924 0.063 -2.172 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.606 0.469 -0.732 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.643 -0.254 -2.933 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.831 -0.582 0.034 1.00 0.00 C ATOM 0 H ILE A 57 -5.756 0.986 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.096 2.075 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.540 -0.836 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.033 1.396 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.538 0.676 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.099 -1.044 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.891 -0.585 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.021 0.640 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.640 -0.227 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.411 -1.504 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.883 -0.773 -0.468 1.00 0.00 H new ATOM 922 N VAL A 58 -3.299 1.194 -5.275 1.00 0.00 N ATOM 923 CA VAL A 58 -3.555 0.836 -6.663 1.00 0.00 C ATOM 924 C VAL A 58 -2.283 0.897 -7.498 1.00 0.00 C ATOM 925 O VAL A 58 -1.502 1.842 -7.402 1.00 0.00 O ATOM 926 CB VAL A 58 -4.618 1.760 -7.290 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.910 1.353 -8.726 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.891 1.747 -6.457 1.00 0.00 C ATOM 0 H VAL A 58 -2.502 1.815 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.927 -0.188 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.224 2.776 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.663 2.019 -9.147 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.996 1.419 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.281 0.328 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.631 2.404 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.286 0.732 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.669 2.095 -5.448 1.00 0.00 H new ATOM 938 N GLY A 59 -2.088 -0.126 -8.318 1.00 0.00 N ATOM 939 CA GLY A 59 -0.917 -0.193 -9.169 1.00 0.00 C ATOM 940 C GLY A 59 -0.891 -1.468 -9.987 1.00 0.00 C ATOM 941 O GLY A 59 -1.893 -1.838 -10.597 1.00 0.00 O ATOM 0 H GLY A 59 -2.726 -0.917 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.903 0.668 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.018 -0.136 -8.556 1.00 0.00 H new ATOM 945 N ARG A 60 0.251 -2.148 -9.997 1.00 0.00 N ATOM 946 CA ARG A 60 0.380 -3.396 -10.748 1.00 0.00 C ATOM 947 C ARG A 60 1.769 -4.009 -10.589 1.00 0.00 C ATOM 948 O ARG A 60 2.299 -4.606 -11.525 1.00 0.00 O ATOM 949 CB ARG A 60 0.089 -3.154 -12.232 1.00 0.00 C ATOM 950 CG ARG A 60 1.026 -2.145 -12.877 1.00 0.00 C ATOM 951 CD ARG A 60 0.662 -1.902 -14.334 1.00 0.00 C ATOM 952 NE ARG A 60 1.567 -0.953 -14.977 1.00 0.00 N ATOM 953 CZ ARG A 60 1.651 0.335 -14.648 1.00 0.00 C ATOM 954 NH1 ARG A 60 0.849 0.845 -13.720 1.00 0.00 N ATOM 955 NH2 ARG A 60 2.527 1.118 -15.260 1.00 0.00 N ATOM 0 H ARG A 60 1.094 -1.861 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.348 -4.099 -10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.163 -4.100 -12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.938 -2.805 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.984 -1.204 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.052 -2.506 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.685 -2.848 -14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.359 -1.526 -14.394 1.00 0.00 H new ATOM 0 HE ARG A 60 2.171 -1.297 -15.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.164 0.250 -13.255 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.918 1.832 -13.473 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.136 0.734 -15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.592 2.104 -15.009 1.00 0.00 H new ATOM 969 N ASN A 61 2.348 -3.864 -9.399 1.00 0.00 N ATOM 970 CA ASN A 61 3.672 -4.403 -9.104 1.00 0.00 C ATOM 971 C ASN A 61 4.189 -3.828 -7.792 1.00 0.00 C ATOM 972 O ASN A 61 4.955 -2.864 -7.790 1.00 0.00 O ATOM 973 CB ASN A 61 4.660 -4.086 -10.231 1.00 0.00 C ATOM 974 CG ASN A 61 6.056 -4.592 -9.935 1.00 0.00 C ATOM 975 OD1 ASN A 61 6.289 -5.797 -9.844 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.989 -3.665 -9.768 1.00 0.00 N ATOM 0 H ASN A 61 1.915 -3.373 -8.617 1.00 0.00 H new ATOM 0 HA ASN A 61 3.584 -5.486 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.304 -4.533 -11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.693 -3.008 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.948 -3.939 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.748 -2.678 -9.853 1.00 0.00 H new ATOM 983 N PHE A 62 3.752 -4.400 -6.673 1.00 0.00 N ATOM 984 CA PHE A 62 4.172 -3.897 -5.372 1.00 0.00 C ATOM 985 C PHE A 62 3.835 -4.855 -4.237 1.00 0.00 C ATOM 986 O PHE A 62 2.743 -5.422 -4.178 1.00 0.00 O ATOM 987 CB PHE A 62 3.507 -2.547 -5.120 1.00 0.00 C ATOM 988 CG PHE A 62 2.001 -2.610 -5.114 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.324 -3.176 -4.048 1.00 0.00 C ATOM 990 CD2 PHE A 62 1.269 -2.107 -6.178 1.00 0.00 C ATOM 991 CE1 PHE A 62 -0.058 -3.240 -4.041 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.112 -2.168 -6.176 1.00 0.00 C ATOM 993 CZ PHE A 62 -0.777 -2.735 -5.106 1.00 0.00 C ATOM 0 H PHE A 62 3.118 -5.198 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 62 5.257 -3.794 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.850 -2.155 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.830 -1.843 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.881 -3.572 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.783 -1.663 -7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.574 -3.685 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.671 -1.772 -7.011 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.856 -2.783 -5.103 1.00 0.00 H new ATOM 1003 N GLY A 63 4.784 -5.001 -3.319 1.00 0.00 N ATOM 1004 CA GLY A 63 4.582 -5.856 -2.161 1.00 0.00 C ATOM 1005 C GLY A 63 4.017 -5.061 -1.000 1.00 0.00 C ATOM 1006 O GLY A 63 4.386 -3.901 -0.816 1.00 0.00 O ATOM 0 H GLY A 63 5.694 -4.541 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.902 -6.669 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.528 -6.312 -1.870 1.00 0.00 H new ATOM 1010 N SER A 64 3.109 -5.650 -0.222 1.00 0.00 N ATOM 1011 CA SER A 64 2.518 -4.912 0.893 1.00 0.00 C ATOM 1012 C SER A 64 1.896 -5.813 1.957 1.00 0.00 C ATOM 1013 O SER A 64 1.472 -6.938 1.682 1.00 0.00 O ATOM 1014 CB SER A 64 1.458 -3.940 0.375 1.00 0.00 C ATOM 1015 OG SER A 64 2.026 -2.977 -0.493 1.00 0.00 O ATOM 0 H SER A 64 2.775 -6.607 -0.337 1.00 0.00 H new ATOM 0 HA SER A 64 3.337 -4.372 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.680 -4.493 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.979 -3.438 1.216 1.00 0.00 H new ATOM 0 HG SER A 64 3.002 -2.997 -0.410 1.00 0.00 H new ATOM 1021 N TYR A 65 1.835 -5.273 3.174 1.00 0.00 N ATOM 1022 CA TYR A 65 1.255 -5.961 4.320 1.00 0.00 C ATOM 1023 C TYR A 65 0.530 -4.962 5.219 1.00 0.00 C ATOM 1024 O TYR A 65 0.969 -3.824 5.380 1.00 0.00 O ATOM 1025 CB TYR A 65 2.321 -6.713 5.117 1.00 0.00 C ATOM 1026 CG TYR A 65 2.675 -8.058 4.528 1.00 0.00 C ATOM 1027 CD1 TYR A 65 3.387 -8.159 3.340 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.281 -9.231 5.158 1.00 0.00 C ATOM 1029 CE1 TYR A 65 3.698 -9.394 2.798 1.00 0.00 C ATOM 1030 CE2 TYR A 65 2.587 -10.466 4.627 1.00 0.00 C ATOM 1031 CZ TYR A 65 3.296 -10.544 3.446 1.00 0.00 C ATOM 1032 OH TYR A 65 3.603 -11.774 2.911 1.00 0.00 O ATOM 0 H TYR A 65 2.189 -4.341 3.390 1.00 0.00 H new ATOM 0 HA TYR A 65 0.539 -6.693 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.221 -6.101 5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.968 -6.854 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.703 -7.260 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.724 -9.175 6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.252 -9.457 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.273 -11.367 5.133 1.00 0.00 H new ATOM 0 HH TYR A 65 3.249 -12.480 3.490 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.598 -5.391 5.775 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.416 -4.534 6.629 1.00 0.00 C ATOM 1044 C VAL A 66 -2.298 -5.369 7.553 1.00 0.00 C ATOM 1045 O VAL A 66 -2.453 -6.564 7.344 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.327 -3.636 5.769 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -3.148 -2.701 6.639 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.508 -2.849 4.756 1.00 0.00 C ATOM 0 H VAL A 66 -0.969 -6.333 5.649 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.740 -3.922 7.226 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.016 -4.281 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.782 -2.079 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.772 -3.286 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.480 -2.066 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.171 -2.222 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.788 -2.220 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.977 -3.540 4.102 1.00 0.00 H new ATOM 1058 N THR A 67 -2.888 -4.730 8.564 1.00 0.00 N ATOM 1059 CA THR A 67 -3.773 -5.425 9.496 1.00 0.00 C ATOM 1060 C THR A 67 -5.116 -4.707 9.569 1.00 0.00 C ATOM 1061 O THR A 67 -5.176 -3.479 9.494 1.00 0.00 O ATOM 1062 CB THR A 67 -3.137 -5.514 10.883 1.00 0.00 C ATOM 1063 OG1 THR A 67 -1.904 -6.210 10.826 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.013 -6.217 11.898 1.00 0.00 C ATOM 0 H THR A 67 -2.769 -3.736 8.757 1.00 0.00 H new ATOM 0 HA THR A 67 -3.934 -6.440 9.133 1.00 0.00 H new ATOM 0 HB THR A 67 -2.994 -4.482 11.202 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.512 -6.255 11.723 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.503 -6.246 12.861 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.954 -5.677 12.002 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.214 -7.235 11.563 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.196 -5.475 9.677 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.533 -4.893 9.712 1.00 0.00 C ATOM 1074 C HIS A 68 -8.563 -5.880 10.256 1.00 0.00 C ATOM 1075 O HIS A 68 -8.408 -7.094 10.117 1.00 0.00 O ATOM 1076 CB HIS A 68 -7.917 -4.486 8.296 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.879 -5.646 7.358 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.882 -6.585 7.286 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.919 -6.054 6.494 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -8.544 -7.521 6.421 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -7.359 -7.222 5.923 1.00 0.00 N ATOM 0 H HIS A 68 -6.173 -6.493 9.741 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.522 -4.029 10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.918 -4.054 8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.237 -3.711 7.943 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.752 -6.561 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.983 -5.554 6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.137 -8.386 6.164 1.00 0.00 H new ATOM 1090 N GLU A 69 -9.618 -5.349 10.864 1.00 0.00 N ATOM 1091 CA GLU A 69 -10.683 -6.178 11.418 1.00 0.00 C ATOM 1092 C GLU A 69 -11.345 -7.009 10.322 1.00 0.00 C ATOM 1093 O GLU A 69 -11.467 -6.565 9.180 1.00 0.00 O ATOM 1094 CB GLU A 69 -11.729 -5.303 12.108 1.00 0.00 C ATOM 1095 CG GLU A 69 -12.468 -4.379 11.156 1.00 0.00 C ATOM 1096 CD GLU A 69 -13.441 -3.463 11.871 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -12.991 -2.671 12.727 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -14.653 -3.536 11.578 1.00 0.00 O ATOM 0 H GLU A 69 -9.759 -4.346 10.986 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.243 -6.854 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.451 -5.944 12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.241 -4.705 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.745 -3.777 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.009 -4.977 10.422 1.00 0.00 H new ATOM 1105 N THR A 70 -11.765 -8.218 10.676 1.00 0.00 N ATOM 1106 CA THR A 70 -12.407 -9.117 9.722 1.00 0.00 C ATOM 1107 C THR A 70 -13.678 -8.505 9.137 1.00 0.00 C ATOM 1108 O THR A 70 -14.328 -7.673 9.768 1.00 0.00 O ATOM 1109 CB THR A 70 -12.734 -10.454 10.386 1.00 0.00 C ATOM 1110 OG1 THR A 70 -13.607 -10.269 11.486 1.00 0.00 O ATOM 1111 CG2 THR A 70 -11.510 -11.190 10.888 1.00 0.00 C ATOM 0 H THR A 70 -11.673 -8.599 11.617 1.00 0.00 H new ATOM 0 HA THR A 70 -11.704 -9.281 8.905 1.00 0.00 H new ATOM 0 HB THR A 70 -13.204 -11.055 9.607 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.805 -11.137 11.896 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.814 -12.130 11.348 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.840 -11.394 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.993 -10.576 11.625 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.017 -8.929 7.919 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.204 -8.434 7.224 1.00 0.00 C ATOM 1121 C LYS A 71 -15.060 -6.960 6.873 1.00 0.00 C ATOM 1122 O LYS A 71 -16.024 -6.198 6.934 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.459 -8.650 8.073 1.00 0.00 C ATOM 1124 CG LYS A 71 -16.753 -10.111 8.367 1.00 0.00 C ATOM 1125 CD LYS A 71 -16.940 -10.909 7.086 1.00 0.00 C ATOM 1126 CE LYS A 71 -17.238 -12.370 7.378 1.00 0.00 C ATOM 1127 NZ LYS A 71 -18.480 -12.535 8.184 1.00 0.00 N ATOM 0 H LYS A 71 -13.482 -9.619 7.391 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.304 -9.000 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.346 -8.114 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.315 -8.213 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.935 -10.538 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.652 -10.187 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.756 -10.479 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.040 -10.835 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.340 -12.914 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.397 -12.812 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.769 -13.534 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.301 -12.234 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.239 -11.952 7.776 1.00 0.00 H new ATOM 1141 N HIS A 72 -13.848 -6.568 6.499 1.00 0.00 N ATOM 1142 CA HIS A 72 -13.569 -5.185 6.129 1.00 0.00 C ATOM 1143 C HIS A 72 -12.329 -5.109 5.244 1.00 0.00 C ATOM 1144 O HIS A 72 -11.366 -4.412 5.566 1.00 0.00 O ATOM 1145 CB HIS A 72 -13.370 -4.316 7.378 1.00 0.00 C ATOM 1146 CG HIS A 72 -14.573 -4.234 8.267 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -14.993 -5.274 9.069 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.458 -3.228 8.469 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -16.082 -4.913 9.723 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -16.384 -3.675 9.378 1.00 0.00 N ATOM 0 H HIS A 72 -13.041 -7.189 6.444 1.00 0.00 H new ATOM 0 HA HIS A 72 -14.426 -4.806 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.533 -4.713 7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.093 -3.309 7.066 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.534 -6.182 9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.438 -2.255 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.632 -5.526 10.421 1.00 0.00 H new ATOM 1159 N PHE A 73 -12.354 -5.836 4.130 1.00 0.00 N ATOM 1160 CA PHE A 73 -11.227 -5.853 3.204 1.00 0.00 C ATOM 1161 C PHE A 73 -11.631 -6.440 1.857 1.00 0.00 C ATOM 1162 O PHE A 73 -12.454 -7.353 1.788 1.00 0.00 O ATOM 1163 CB PHE A 73 -10.062 -6.648 3.804 1.00 0.00 C ATOM 1164 CG PHE A 73 -8.851 -6.735 2.914 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -8.882 -7.469 1.737 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -7.680 -6.080 3.258 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -7.770 -7.545 0.922 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -6.563 -6.153 2.446 1.00 0.00 C ATOM 1169 CZ PHE A 73 -6.608 -6.887 1.277 1.00 0.00 C ATOM 0 H PHE A 73 -13.141 -6.420 3.848 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.907 -4.824 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.772 -6.189 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.405 -7.657 4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.787 -7.987 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.639 -5.505 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.808 -8.118 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.657 -5.637 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.737 -6.947 0.642 1.00 0.00 H new ATOM 1179 N ILE A 74 -11.049 -5.906 0.783 1.00 0.00 N ATOM 1180 CA ILE A 74 -11.357 -6.381 -0.559 1.00 0.00 C ATOM 1181 C ILE A 74 -10.238 -6.030 -1.542 1.00 0.00 C ATOM 1182 O ILE A 74 -9.724 -4.910 -1.547 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.697 -5.790 -1.059 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -13.144 -6.457 -2.368 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.585 -4.283 -1.236 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.299 -6.099 -3.573 1.00 0.00 C ATOM 0 H ILE A 74 -10.366 -5.149 0.819 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.446 -7.466 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.456 -5.994 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.126 -7.539 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.178 -6.178 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -13.537 -3.886 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.331 -3.822 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.807 -4.059 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.684 -6.613 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.336 -5.022 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.267 -6.404 -3.397 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.874 -7.005 -2.371 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.826 -6.832 -3.373 1.00 0.00 C ATOM 1200 C TYR A 75 -9.295 -7.399 -4.709 1.00 0.00 C ATOM 1201 O TYR A 75 -9.992 -8.412 -4.744 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.544 -7.534 -2.918 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.398 -7.420 -3.896 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -5.902 -6.181 -4.280 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.806 -8.558 -4.431 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.849 -6.079 -5.170 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.755 -8.464 -5.321 1.00 0.00 C ATOM 1208 CZ TYR A 75 -4.279 -7.224 -5.686 1.00 0.00 C ATOM 1209 OH TYR A 75 -3.229 -7.129 -6.571 1.00 0.00 O ATOM 0 H TYR A 75 -10.295 -7.934 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.616 -5.769 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.234 -7.116 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.760 -8.589 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.346 -5.283 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.174 -9.532 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.475 -5.108 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.308 -9.358 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.413 -7.683 -7.358 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.938 -6.737 -5.808 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.369 -7.196 -7.124 1.00 0.00 C ATOM 1221 C PHE A 76 -8.656 -6.451 -8.252 1.00 0.00 C ATOM 1222 O PHE A 76 -8.483 -5.234 -8.201 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.882 -7.014 -7.256 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.328 -5.582 -7.134 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -11.069 -4.852 -5.984 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -12.002 -4.968 -8.174 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.476 -3.536 -5.876 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.413 -3.652 -8.072 1.00 0.00 C ATOM 1229 CZ PHE A 76 -12.149 -2.935 -6.921 1.00 0.00 C ATOM 0 H PHE A 76 -8.361 -5.896 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.109 -8.251 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.204 -7.405 -8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.380 -7.608 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.543 -5.317 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.210 -5.523 -9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.268 -2.978 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.940 -3.185 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.468 -1.907 -6.839 1.00 0.00 H new ATOM 1239 N TYR A 77 -8.255 -7.204 -9.275 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.568 -6.641 -10.437 1.00 0.00 C ATOM 1241 C TYR A 77 -8.586 -6.074 -11.427 1.00 0.00 C ATOM 1242 O TYR A 77 -9.737 -6.506 -11.446 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.720 -7.721 -11.112 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.690 -7.181 -12.076 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -4.668 -6.355 -11.632 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -5.734 -7.504 -13.427 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -3.716 -5.863 -12.505 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -4.787 -7.016 -14.307 1.00 0.00 C ATOM 1249 CZ TYR A 77 -3.779 -6.197 -13.841 1.00 0.00 C ATOM 1250 OH TYR A 77 -2.832 -5.713 -14.713 1.00 0.00 O ATOM 0 H TYR A 77 -8.395 -8.213 -9.323 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.915 -5.833 -10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.213 -8.303 -10.343 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.379 -8.405 -11.646 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.615 -6.092 -10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.520 -8.146 -13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.927 -5.221 -12.142 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.836 -7.274 -15.355 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.701 -6.354 -15.442 1.00 0.00 H new ATOM 1260 N LEU A 78 -8.171 -5.106 -12.245 1.00 0.00 N ATOM 1261 CA LEU A 78 -9.084 -4.507 -13.217 1.00 0.00 C ATOM 1262 C LEU A 78 -8.346 -3.779 -14.340 1.00 0.00 C ATOM 1263 O LEU A 78 -7.451 -2.970 -14.092 1.00 0.00 O ATOM 1264 CB LEU A 78 -10.031 -3.532 -12.519 1.00 0.00 C ATOM 1265 CG LEU A 78 -11.028 -2.825 -13.441 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.869 -3.839 -14.204 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.916 -1.883 -12.640 1.00 0.00 C ATOM 0 H LEU A 78 -7.225 -4.725 -12.255 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.649 -5.324 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.588 -4.074 -11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.436 -2.777 -12.005 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.467 -2.236 -14.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.571 -3.315 -14.853 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.218 -4.471 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.422 -4.459 -13.498 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.619 -1.388 -13.310 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.467 -2.452 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.298 -1.134 -12.145 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.748 -4.073 -15.578 1.00 0.00 N ATOM 1280 CA GLY A 79 -8.148 -3.449 -16.747 1.00 0.00 C ATOM 1281 C GLY A 79 -6.704 -3.843 -16.926 1.00 0.00 C ATOM 1282 O GLY A 79 -6.351 -4.534 -17.881 1.00 0.00 O ATOM 0 H GLY A 79 -9.488 -4.741 -15.792 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.712 -3.730 -17.636 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.218 -2.365 -16.654 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.871 -3.415 -15.994 1.00 0.00 N ATOM 1287 CA GLN A 80 -4.458 -3.734 -16.030 1.00 0.00 C ATOM 1288 C GLN A 80 -3.754 -3.139 -14.817 1.00 0.00 C ATOM 1289 O GLN A 80 -2.616 -2.680 -14.905 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.818 -3.213 -17.319 1.00 0.00 C ATOM 1291 CG GLN A 80 -3.928 -1.707 -17.488 1.00 0.00 C ATOM 1292 CD GLN A 80 -3.287 -1.214 -18.770 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -2.090 -1.399 -18.990 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -4.083 -0.585 -19.627 1.00 0.00 N ATOM 0 H GLN A 80 -6.153 -2.842 -15.199 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.350 -4.818 -16.006 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.765 -3.496 -17.332 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.290 -3.701 -18.172 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.980 -1.420 -17.479 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.456 -1.215 -16.638 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.070 -0.453 -19.404 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.708 -0.234 -20.508 1.00 0.00 H new ATOM 1303 N VAL A 81 -4.451 -3.157 -13.686 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.920 -2.626 -12.438 1.00 0.00 C ATOM 1305 C VAL A 81 -4.688 -3.196 -11.252 1.00 0.00 C ATOM 1306 O VAL A 81 -5.917 -3.270 -11.275 1.00 0.00 O ATOM 1307 CB VAL A 81 -4.003 -1.086 -12.396 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -3.131 -0.467 -13.478 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -5.446 -0.626 -12.539 1.00 0.00 C ATOM 0 H VAL A 81 -5.394 -3.538 -13.609 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.872 -2.921 -12.380 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.629 -0.750 -11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.206 0.619 -13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.094 -0.767 -13.325 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.467 -0.810 -14.457 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.486 0.463 -12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.847 -0.976 -13.490 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.041 -1.035 -11.722 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.959 -3.612 -10.223 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.581 -4.186 -9.037 1.00 0.00 C ATOM 1321 C ALA A 82 -5.073 -3.105 -8.079 1.00 0.00 C ATOM 1322 O ALA A 82 -4.307 -2.243 -7.651 1.00 0.00 O ATOM 1323 CB ALA A 82 -3.600 -5.110 -8.331 1.00 0.00 C ATOM 0 H ALA A 82 -2.941 -3.563 -10.186 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.450 -4.760 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.073 -5.535 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.307 -5.914 -9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.717 -4.545 -8.034 1.00 0.00 H new ATOM 1329 N ILE A 83 -6.356 -3.174 -7.732 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.948 -2.217 -6.805 1.00 0.00 C ATOM 1331 C ILE A 83 -7.130 -2.855 -5.432 1.00 0.00 C ATOM 1332 O ILE A 83 -7.510 -4.021 -5.324 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.313 -1.686 -7.302 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -8.153 -0.944 -8.630 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.946 -0.773 -6.260 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -7.892 -1.852 -9.808 1.00 0.00 C ATOM 0 H ILE A 83 -7.003 -3.882 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.261 -1.373 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.972 -2.540 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.056 -0.365 -8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.331 -0.233 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.905 -0.410 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.100 -1.328 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.287 0.074 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.790 -1.253 -10.713 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.973 -2.413 -9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.724 -2.546 -9.924 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.857 -2.085 -4.387 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.992 -2.577 -3.024 1.00 0.00 C ATOM 1350 C LEU A 84 -7.659 -1.533 -2.137 1.00 0.00 C ATOM 1351 O LEU A 84 -7.367 -0.341 -2.239 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.622 -2.951 -2.454 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.637 -3.470 -1.014 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.456 -4.748 -0.910 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -4.217 -3.701 -0.519 1.00 0.00 C ATOM 0 H LEU A 84 -6.541 -1.118 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.621 -3.467 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.175 -3.712 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.975 -2.075 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.105 -2.715 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.453 -5.099 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.481 -4.550 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.021 -5.512 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.245 -4.070 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.725 -4.436 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.663 -2.763 -0.552 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.559 -1.988 -1.274 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.271 -1.089 -0.375 1.00 0.00 C ATOM 1369 C LEU A 85 -9.779 -1.838 0.849 1.00 0.00 C ATOM 1370 O LEU A 85 -10.257 -2.969 0.745 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.443 -0.428 -1.101 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.279 0.518 -0.239 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.413 1.637 0.319 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.439 1.085 -1.043 1.00 0.00 C ATOM 0 H LEU A 85 -8.813 -2.971 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.574 -0.318 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.056 0.128 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.094 -1.208 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.687 -0.047 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.025 2.301 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.618 1.211 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.975 2.202 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.024 1.756 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.053 1.636 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.073 0.270 -1.391 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.669 -1.203 2.013 1.00 0.00 N ATOM 1387 CA PHE A 86 -10.120 -1.823 3.255 1.00 0.00 C ATOM 1388 C PHE A 86 -9.977 -0.870 4.438 1.00 0.00 C ATOM 1389 O PHE A 86 -8.914 -0.294 4.660 1.00 0.00 O ATOM 1390 CB PHE A 86 -9.326 -3.104 3.517 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.855 -2.879 3.710 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -7.074 -2.364 2.690 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -7.254 -3.191 4.917 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.720 -2.164 2.869 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.904 -2.995 5.103 1.00 0.00 C ATOM 1396 CZ PHE A 86 -5.133 -2.480 4.077 1.00 0.00 C ATOM 0 H PHE A 86 -9.275 -0.268 2.122 1.00 0.00 H new ATOM 0 HA PHE A 86 -11.177 -2.066 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.728 -3.594 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.472 -3.788 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.529 -2.116 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.851 -3.593 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.121 -1.761 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.447 -3.243 6.050 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.074 -2.326 4.221 1.00 0.00 H new ATOM 1406 N LYS A 87 -11.061 -0.707 5.189 1.00 0.00 N ATOM 1407 CA LYS A 87 -11.069 0.180 6.347 1.00 0.00 C ATOM 1408 C LYS A 87 -10.466 -0.493 7.575 1.00 0.00 C ATOM 1409 O LYS A 87 -10.322 -1.715 7.621 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.493 0.654 6.648 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.419 -0.444 7.145 1.00 0.00 C ATOM 1412 CD LYS A 87 -13.340 -0.607 8.654 1.00 0.00 C ATOM 1413 CE LYS A 87 -14.270 0.359 9.376 1.00 0.00 C ATOM 1414 NZ LYS A 87 -13.925 1.781 9.103 1.00 0.00 N ATOM 0 H LYS A 87 -11.948 -1.179 5.016 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.451 1.044 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.451 1.446 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.918 1.092 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.445 -0.213 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.158 -1.386 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.599 -1.631 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.315 -0.440 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.298 0.170 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.221 0.174 10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.402 2.393 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.896 1.909 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.235 2.036 8.144 1.00 0.00 H new ATOM 1428 N SER A 88 -10.117 0.320 8.567 1.00 0.00 N ATOM 1429 CA SER A 88 -9.531 -0.184 9.802 1.00 0.00 C ATOM 1430 C SER A 88 -10.051 0.594 11.006 1.00 0.00 C ATOM 1431 O SER A 88 -10.088 1.825 10.997 1.00 0.00 O ATOM 1432 CB SER A 88 -8.007 -0.085 9.741 1.00 0.00 C ATOM 1433 OG SER A 88 -7.416 -0.575 10.931 1.00 0.00 O ATOM 0 H SER A 88 -10.231 1.333 8.538 1.00 0.00 H new ATOM 0 HA SER A 88 -9.819 -1.229 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.637 -0.652 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.713 0.953 9.586 1.00 0.00 H new ATOM 0 HG SER A 88 -6.441 -0.502 10.866 1.00 0.00 H new ATOM 1536 N ALA B 6 19.591 3.135 3.059 1.00 0.00 N ATOM 1537 CA ALA B 6 18.242 3.618 2.766 1.00 0.00 C ATOM 1538 C ALA B 6 18.136 5.132 2.922 1.00 0.00 C ATOM 1539 O ALA B 6 18.586 5.695 3.921 1.00 0.00 O ATOM 1540 CB ALA B 6 17.236 2.942 3.686 1.00 0.00 C ATOM 0 HA ALA B 6 18.023 3.369 1.728 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.234 3.308 3.461 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.271 1.863 3.534 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.481 3.170 4.723 1.00 0.00 H new ATOM 1546 N VAL B 7 17.529 5.787 1.936 1.00 0.00 N ATOM 1547 CA VAL B 7 17.356 7.225 1.972 1.00 0.00 C ATOM 1548 C VAL B 7 15.978 7.612 2.494 1.00 0.00 C ATOM 1549 O VAL B 7 14.970 7.016 2.116 1.00 0.00 O ATOM 1550 CB VAL B 7 17.548 7.845 0.587 1.00 0.00 C ATOM 1551 CG1 VAL B 7 18.982 7.667 0.111 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.567 7.248 -0.410 1.00 0.00 C ATOM 0 H VAL B 7 17.150 5.338 1.103 1.00 0.00 H new ATOM 0 HA VAL B 7 18.117 7.610 2.651 1.00 0.00 H new ATOM 0 HB VAL B 7 17.347 8.914 0.661 1.00 0.00 H new ATOM 0 HG11 VAL B 7 19.096 8.115 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.661 8.154 0.811 1.00 0.00 H new ATOM 0 HG13 VAL B 7 19.218 6.604 0.056 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.721 7.703 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.729 6.172 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.547 7.440 -0.077 1.00 0.00 H new ATOM 1562 N ILE B 8 15.946 8.619 3.355 1.00 0.00 N ATOM 1563 CA ILE B 8 14.694 9.103 3.932 1.00 0.00 C ATOM 1564 C ILE B 8 14.065 10.179 3.052 1.00 0.00 C ATOM 1565 O ILE B 8 14.768 10.986 2.444 1.00 0.00 O ATOM 1566 CB ILE B 8 14.905 9.662 5.361 1.00 0.00 C ATOM 1567 CG1 ILE B 8 15.350 8.551 6.316 1.00 0.00 C ATOM 1568 CG2 ILE B 8 13.631 10.319 5.874 1.00 0.00 C ATOM 1569 CD1 ILE B 8 16.683 7.929 5.955 1.00 0.00 C ATOM 0 H ILE B 8 16.775 9.121 3.672 1.00 0.00 H new ATOM 0 HA ILE B 8 14.019 8.249 3.989 1.00 0.00 H new ATOM 0 HB ILE B 8 15.691 10.416 5.317 1.00 0.00 H new ATOM 0 HG12 ILE B 8 15.411 8.956 7.326 1.00 0.00 H new ATOM 0 HG13 ILE B 8 14.588 7.771 6.331 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.800 10.705 6.879 1.00 0.00 H new ATOM 0 HG22 ILE B 8 13.353 11.139 5.212 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.827 9.584 5.898 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.929 7.151 6.678 1.00 0.00 H new ATOM 0 HD12 ILE B 8 16.623 7.492 4.958 1.00 0.00 H new ATOM 0 HD13 ILE B 8 17.458 8.695 5.969 1.00 0.00 H new ATOM 1581 N LYS B 9 12.735 10.186 2.989 1.00 0.00 N ATOM 1582 CA LYS B 9 12.017 11.167 2.183 1.00 0.00 C ATOM 1583 C LYS B 9 11.008 11.949 3.021 1.00 0.00 C ATOM 1584 O LYS B 9 10.990 13.180 2.988 1.00 0.00 O ATOM 1585 CB LYS B 9 11.308 10.481 1.014 1.00 0.00 C ATOM 1586 CG LYS B 9 12.258 9.807 0.038 1.00 0.00 C ATOM 1587 CD LYS B 9 13.252 10.801 -0.546 1.00 0.00 C ATOM 1588 CE LYS B 9 14.205 10.133 -1.526 1.00 0.00 C ATOM 1589 NZ LYS B 9 13.498 9.610 -2.728 1.00 0.00 N ATOM 0 H LYS B 9 12.136 9.526 3.485 1.00 0.00 H new ATOM 0 HA LYS B 9 12.750 11.873 1.792 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.615 9.737 1.406 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.712 11.219 0.477 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.797 9.007 0.546 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.687 9.345 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.712 11.601 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.823 11.261 0.260 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.966 10.849 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.723 9.315 -1.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.194 9.365 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.954 8.762 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.851 10.337 -3.094 1.00 0.00 H new ATOM 1603 N ASN B 10 10.173 11.238 3.776 1.00 0.00 N ATOM 1604 CA ASN B 10 9.175 11.897 4.616 1.00 0.00 C ATOM 1605 C ASN B 10 9.633 11.970 6.069 1.00 0.00 C ATOM 1606 O ASN B 10 9.754 13.057 6.634 1.00 0.00 O ATOM 1607 CB ASN B 10 7.822 11.185 4.524 1.00 0.00 C ATOM 1608 CG ASN B 10 7.159 11.385 3.174 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.694 10.297 2.571 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 7.043 12.511 2.688 1.00 0.00 N flip ATOM 0 H ASN B 10 10.166 10.219 3.824 1.00 0.00 H new ATOM 0 HA ASN B 10 9.058 12.915 4.243 1.00 0.00 H new ATOM 0 HB2 ASN B 10 7.961 10.119 4.704 1.00 0.00 H new ATOM 0 HB3 ASN B 10 7.164 11.557 5.309 1.00 0.00 H new ATOM 0 HD21 ASN B 10 7.414 13.321 3.184 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.575 12.633 1.790 1.00 0.00 H new ATOM 1617 N ALA B 11 9.893 10.813 6.666 1.00 0.00 N ATOM 1618 CA ALA B 11 10.345 10.751 8.052 1.00 0.00 C ATOM 1619 C ALA B 11 9.314 11.347 9.009 1.00 0.00 C ATOM 1620 O ALA B 11 8.743 12.407 8.748 1.00 0.00 O ATOM 1621 CB ALA B 11 11.682 11.465 8.200 1.00 0.00 C ATOM 0 H ALA B 11 9.799 9.904 6.212 1.00 0.00 H new ATOM 0 HA ALA B 11 10.469 9.701 8.316 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.010 11.412 9.238 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.423 10.985 7.561 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.571 12.509 7.907 1.00 0.00 H new ATOM 1627 N ASP B 12 9.088 10.658 10.122 1.00 0.00 N ATOM 1628 CA ASP B 12 8.137 11.106 11.135 1.00 0.00 C ATOM 1629 C ASP B 12 8.101 10.118 12.298 1.00 0.00 C ATOM 1630 O ASP B 12 7.034 9.692 12.739 1.00 0.00 O ATOM 1631 CB ASP B 12 6.738 11.270 10.530 1.00 0.00 C ATOM 1632 CG ASP B 12 5.724 11.770 11.542 1.00 0.00 C ATOM 1633 OD1 ASP B 12 5.926 12.875 12.087 1.00 0.00 O ATOM 1634 OD2 ASP B 12 4.729 11.057 11.786 1.00 0.00 O ATOM 0 H ASP B 12 9.555 9.779 10.347 1.00 0.00 H new ATOM 0 HA ASP B 12 8.463 12.076 11.509 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.786 11.967 9.694 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.405 10.313 10.128 1.00 0.00 H new ATOM 1639 N MET B 13 9.286 9.754 12.778 1.00 0.00 N ATOM 1640 CA MET B 13 9.424 8.809 13.882 1.00 0.00 C ATOM 1641 C MET B 13 10.710 9.070 14.654 1.00 0.00 C ATOM 1642 O MET B 13 11.758 9.329 14.062 1.00 0.00 O ATOM 1643 CB MET B 13 9.430 7.371 13.351 1.00 0.00 C ATOM 1644 CG MET B 13 8.095 6.926 12.784 1.00 0.00 C ATOM 1645 SD MET B 13 8.199 5.390 11.845 1.00 0.00 S ATOM 1646 CE MET B 13 8.752 4.243 13.100 1.00 0.00 C ATOM 0 H MET B 13 10.173 10.103 12.416 1.00 0.00 H new ATOM 0 HA MET B 13 8.575 8.943 14.552 1.00 0.00 H new ATOM 0 HB2 MET B 13 10.192 7.282 12.576 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.715 6.696 14.158 1.00 0.00 H new ATOM 0 HG2 MET B 13 7.385 6.797 13.601 1.00 0.00 H new ATOM 0 HG3 MET B 13 7.701 7.712 12.140 1.00 0.00 H new ATOM 0 HE1 MET B 13 9.632 3.709 12.742 1.00 0.00 H new ATOM 0 HE2 MET B 13 9.004 4.791 14.008 1.00 0.00 H new ATOM 0 HE3 MET B 13 7.957 3.529 13.316 1.00 0.00 H new ATOM 1656 N SER B 14 10.628 8.997 15.982 1.00 0.00 N ATOM 1657 CA SER B 14 11.792 9.223 16.836 1.00 0.00 C ATOM 1658 C SER B 14 13.017 8.482 16.299 1.00 0.00 C ATOM 1659 O SER B 14 12.894 7.417 15.695 1.00 0.00 O ATOM 1660 CB SER B 14 11.491 8.781 18.270 1.00 0.00 C ATOM 1661 OG SER B 14 11.090 7.424 18.312 1.00 0.00 O ATOM 0 H SER B 14 9.769 8.783 16.489 1.00 0.00 H new ATOM 0 HA SER B 14 12.013 10.290 16.834 1.00 0.00 H new ATOM 0 HB2 SER B 14 12.376 8.921 18.890 1.00 0.00 H new ATOM 0 HB3 SER B 14 10.705 9.409 18.690 1.00 0.00 H new ATOM 0 HG SER B 14 10.169 7.345 17.987 1.00 0.00 H new ATOM 1667 N GLU B 15 14.194 9.071 16.508 1.00 0.00 N ATOM 1668 CA GLU B 15 15.455 8.498 16.032 1.00 0.00 C ATOM 1669 C GLU B 15 15.500 6.980 16.181 1.00 0.00 C ATOM 1670 O GLU B 15 15.901 6.274 15.259 1.00 0.00 O ATOM 1671 CB GLU B 15 16.632 9.126 16.781 1.00 0.00 C ATOM 1672 CG GLU B 15 16.577 8.921 18.285 1.00 0.00 C ATOM 1673 CD GLU B 15 17.743 9.570 19.004 1.00 0.00 C ATOM 1674 OE1 GLU B 15 17.892 10.805 18.899 1.00 0.00 O ATOM 1675 OE2 GLU B 15 18.506 8.843 19.673 1.00 0.00 O ATOM 0 H GLU B 15 14.302 9.953 17.009 1.00 0.00 H new ATOM 0 HA GLU B 15 15.528 8.723 14.968 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.561 8.703 16.399 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.657 10.195 16.569 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.643 9.331 18.670 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.570 7.853 18.503 1.00 0.00 H new ATOM 1682 N GLU B 16 15.098 6.488 17.344 1.00 0.00 N ATOM 1683 CA GLU B 16 15.106 5.053 17.610 1.00 0.00 C ATOM 1684 C GLU B 16 14.123 4.306 16.715 1.00 0.00 C ATOM 1685 O GLU B 16 14.448 3.250 16.172 1.00 0.00 O ATOM 1686 CB GLU B 16 14.788 4.781 19.080 1.00 0.00 C ATOM 1687 CG GLU B 16 13.449 5.343 19.528 1.00 0.00 C ATOM 1688 CD GLU B 16 13.141 5.036 20.981 1.00 0.00 C ATOM 1689 OE1 GLU B 16 13.974 4.378 21.641 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.065 5.453 21.461 1.00 0.00 O ATOM 0 H GLU B 16 14.762 7.059 18.119 1.00 0.00 H new ATOM 0 HA GLU B 16 16.107 4.685 17.385 1.00 0.00 H new ATOM 0 HB2 GLU B 16 14.796 3.705 19.251 1.00 0.00 H new ATOM 0 HB3 GLU B 16 15.577 5.208 19.699 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.445 6.423 19.381 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.659 4.933 18.899 1.00 0.00 H new ATOM 1697 N MET B 17 12.924 4.849 16.569 1.00 0.00 N ATOM 1698 CA MET B 17 11.903 4.217 15.745 1.00 0.00 C ATOM 1699 C MET B 17 12.329 4.159 14.285 1.00 0.00 C ATOM 1700 O MET B 17 12.174 3.130 13.626 1.00 0.00 O ATOM 1701 CB MET B 17 10.575 4.965 15.881 1.00 0.00 C ATOM 1702 CG MET B 17 9.986 4.914 17.280 1.00 0.00 C ATOM 1703 SD MET B 17 8.486 5.903 17.443 1.00 0.00 S ATOM 1704 CE MET B 17 7.405 5.073 16.281 1.00 0.00 C ATOM 0 H MET B 17 12.634 5.723 17.008 1.00 0.00 H new ATOM 0 HA MET B 17 11.772 3.194 16.097 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.724 6.007 15.597 1.00 0.00 H new ATOM 0 HB3 MET B 17 9.857 4.543 15.178 1.00 0.00 H new ATOM 0 HG2 MET B 17 9.763 3.879 17.538 1.00 0.00 H new ATOM 0 HG3 MET B 17 10.729 5.268 17.995 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.223 5.723 15.425 1.00 0.00 H new ATOM 0 HE2 MET B 17 7.875 4.150 15.942 1.00 0.00 H new ATOM 0 HE3 MET B 17 6.458 4.840 16.768 1.00 0.00 H new ATOM 1714 N GLN B 18 12.859 5.264 13.780 1.00 0.00 N ATOM 1715 CA GLN B 18 13.295 5.326 12.392 1.00 0.00 C ATOM 1716 C GLN B 18 14.500 4.426 12.140 1.00 0.00 C ATOM 1717 O GLN B 18 14.591 3.788 11.092 1.00 0.00 O ATOM 1718 CB GLN B 18 13.608 6.765 11.988 1.00 0.00 C ATOM 1719 CG GLN B 18 14.609 7.456 12.897 1.00 0.00 C ATOM 1720 CD GLN B 18 14.800 8.913 12.533 1.00 0.00 C ATOM 1721 OE1 GLN B 18 14.327 9.799 13.398 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 15.348 9.236 11.479 1.00 0.00 N flip ATOM 0 H GLN B 18 12.997 6.126 14.308 1.00 0.00 H new ATOM 0 HA GLN B 18 12.474 4.961 11.775 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.994 6.770 10.969 1.00 0.00 H new ATOM 0 HB3 GLN B 18 12.682 7.340 11.981 1.00 0.00 H new ATOM 0 HG2 GLN B 18 14.270 7.383 13.930 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.567 6.940 12.839 1.00 0.00 H new ATOM 0 HE21 GLN B 18 15.696 8.518 10.844 1.00 0.00 H new ATOM 0 HE22 GLN B 18 15.454 10.222 11.240 1.00 0.00 H new ATOM 1731 N GLN B 19 15.425 4.371 13.093 1.00 0.00 N ATOM 1732 CA GLN B 19 16.607 3.535 12.931 1.00 0.00 C ATOM 1733 C GLN B 19 16.246 2.058 13.040 1.00 0.00 C ATOM 1734 O GLN B 19 16.860 1.214 12.388 1.00 0.00 O ATOM 1735 CB GLN B 19 17.692 3.895 13.949 1.00 0.00 C ATOM 1736 CG GLN B 19 17.298 3.647 15.393 1.00 0.00 C ATOM 1737 CD GLN B 19 18.447 3.903 16.351 1.00 0.00 C ATOM 1738 OE1 GLN B 19 18.380 5.010 17.081 1.00 0.00 O flip ATOM 1739 NE2 GLN B 19 19.398 3.124 16.417 1.00 0.00 N flip ATOM 0 H GLN B 19 15.381 4.887 13.972 1.00 0.00 H new ATOM 0 HA GLN B 19 17.006 3.723 11.934 1.00 0.00 H new ATOM 0 HB2 GLN B 19 18.590 3.319 13.725 1.00 0.00 H new ATOM 0 HB3 GLN B 19 17.951 4.947 13.830 1.00 0.00 H new ATOM 0 HG2 GLN B 19 16.458 4.291 15.655 1.00 0.00 H new ATOM 0 HG3 GLN B 19 16.957 2.618 15.504 1.00 0.00 H new ATOM 0 HE21 GLN B 19 19.410 2.284 15.838 1.00 0.00 H new ATOM 0 HE22 GLN B 19 20.174 3.319 17.050 1.00 0.00 H new ATOM 1748 N ASP B 20 15.246 1.747 13.860 1.00 0.00 N ATOM 1749 CA ASP B 20 14.818 0.365 14.031 1.00 0.00 C ATOM 1750 C ASP B 20 14.144 -0.144 12.768 1.00 0.00 C ATOM 1751 O ASP B 20 14.364 -1.280 12.352 1.00 0.00 O ATOM 1752 CB ASP B 20 13.874 0.234 15.227 1.00 0.00 C ATOM 1753 CG ASP B 20 13.468 -1.202 15.488 1.00 0.00 C ATOM 1754 OD1 ASP B 20 14.364 -2.035 15.744 1.00 0.00 O ATOM 1755 OD2 ASP B 20 12.255 -1.495 15.438 1.00 0.00 O ATOM 0 H ASP B 20 14.722 2.427 14.411 1.00 0.00 H new ATOM 0 HA ASP B 20 15.702 -0.243 14.223 1.00 0.00 H new ATOM 0 HB2 ASP B 20 14.359 0.639 16.115 1.00 0.00 H new ATOM 0 HB3 ASP B 20 12.982 0.834 15.050 1.00 0.00 H new ATOM 1760 N SER B 21 13.329 0.704 12.153 1.00 0.00 N ATOM 1761 CA SER B 21 12.640 0.333 10.927 1.00 0.00 C ATOM 1762 C SER B 21 13.639 0.209 9.784 1.00 0.00 C ATOM 1763 O SER B 21 13.600 -0.746 9.010 1.00 0.00 O ATOM 1764 CB SER B 21 11.565 1.363 10.581 1.00 0.00 C ATOM 1765 OG SER B 21 10.887 1.011 9.386 1.00 0.00 O ATOM 0 H SER B 21 13.131 1.649 12.482 1.00 0.00 H new ATOM 0 HA SER B 21 12.155 -0.631 11.079 1.00 0.00 H new ATOM 0 HB2 SER B 21 10.850 1.436 11.400 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.022 2.346 10.468 1.00 0.00 H new ATOM 0 HG SER B 21 10.319 1.757 9.101 1.00 0.00 H new ATOM 1771 N VAL B 22 14.542 1.180 9.697 1.00 0.00 N ATOM 1772 CA VAL B 22 15.564 1.179 8.660 1.00 0.00 C ATOM 1773 C VAL B 22 16.523 0.013 8.860 1.00 0.00 C ATOM 1774 O VAL B 22 16.889 -0.676 7.906 1.00 0.00 O ATOM 1775 CB VAL B 22 16.360 2.500 8.645 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.399 2.493 7.531 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.418 3.685 8.498 1.00 0.00 C ATOM 0 H VAL B 22 14.586 1.977 10.332 1.00 0.00 H new ATOM 0 HA VAL B 22 15.054 1.074 7.702 1.00 0.00 H new ATOM 0 HB VAL B 22 16.886 2.595 9.595 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.948 3.435 7.540 1.00 0.00 H new ATOM 0 HG12 VAL B 22 18.093 1.667 7.686 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.900 2.373 6.569 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.995 4.610 8.489 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.863 3.595 7.564 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.720 3.701 9.335 1.00 0.00 H new ATOM 1787 N GLU B 23 16.919 -0.211 10.107 1.00 0.00 N ATOM 1788 CA GLU B 23 17.821 -1.299 10.437 1.00 0.00 C ATOM 1789 C GLU B 23 17.118 -2.637 10.250 1.00 0.00 C ATOM 1790 O GLU B 23 17.689 -3.585 9.709 1.00 0.00 O ATOM 1791 CB GLU B 23 18.310 -1.151 11.878 1.00 0.00 C ATOM 1792 CG GLU B 23 19.200 -2.288 12.339 1.00 0.00 C ATOM 1793 CD GLU B 23 20.484 -2.392 11.538 1.00 0.00 C ATOM 1794 OE1 GLU B 23 20.689 -1.560 10.630 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.287 -3.306 11.823 1.00 0.00 O ATOM 0 H GLU B 23 16.626 0.351 10.907 1.00 0.00 H new ATOM 0 HA GLU B 23 18.682 -1.263 9.769 1.00 0.00 H new ATOM 0 HB2 GLU B 23 18.856 -0.212 11.972 1.00 0.00 H new ATOM 0 HB3 GLU B 23 17.447 -1.085 12.540 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.444 -2.148 13.392 1.00 0.00 H new ATOM 0 HG3 GLU B 23 18.652 -3.227 12.261 1.00 0.00 H new ATOM 1802 N CYS B 24 15.870 -2.695 10.695 1.00 0.00 N ATOM 1803 CA CYS B 24 15.068 -3.906 10.579 1.00 0.00 C ATOM 1804 C CYS B 24 14.791 -4.230 9.114 1.00 0.00 C ATOM 1805 O CYS B 24 14.741 -5.397 8.722 1.00 0.00 O ATOM 1806 CB CYS B 24 13.753 -3.739 11.341 1.00 0.00 C ATOM 1807 SG CYS B 24 12.709 -5.213 11.349 1.00 0.00 S ATOM 0 H CYS B 24 15.389 -1.914 11.142 1.00 0.00 H new ATOM 0 HA CYS B 24 15.627 -4.734 11.014 1.00 0.00 H new ATOM 0 HB2 CYS B 24 13.976 -3.460 12.371 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.193 -2.914 10.901 1.00 0.00 H new ATOM 0 HG CYS B 24 12.167 -5.354 12.522 1.00 0.00 H new ATOM 1813 N ALA B 25 14.622 -3.187 8.306 1.00 0.00 N ATOM 1814 CA ALA B 25 14.364 -3.358 6.887 1.00 0.00 C ATOM 1815 C ALA B 25 15.605 -3.892 6.198 1.00 0.00 C ATOM 1816 O ALA B 25 15.525 -4.735 5.303 1.00 0.00 O ATOM 1817 CB ALA B 25 13.929 -2.042 6.262 1.00 0.00 C ATOM 0 H ALA B 25 14.660 -2.215 8.614 1.00 0.00 H new ATOM 0 HA ALA B 25 13.555 -4.077 6.760 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.740 -2.189 5.199 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.018 -1.692 6.747 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.717 -1.300 6.391 1.00 0.00 H new ATOM 1823 N THR B 26 16.760 -3.397 6.631 1.00 0.00 N ATOM 1824 CA THR B 26 18.024 -3.826 6.064 1.00 0.00 C ATOM 1825 C THR B 26 18.204 -5.324 6.257 1.00 0.00 C ATOM 1826 O THR B 26 18.568 -6.045 5.327 1.00 0.00 O ATOM 1827 CB THR B 26 19.184 -3.062 6.706 1.00 0.00 C ATOM 1828 OG1 THR B 26 19.036 -1.668 6.509 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.539 -3.460 6.162 1.00 0.00 C ATOM 0 H THR B 26 16.842 -2.700 7.371 1.00 0.00 H new ATOM 0 HA THR B 26 18.018 -3.610 4.996 1.00 0.00 H new ATOM 0 HB THR B 26 19.146 -3.319 7.765 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.263 -1.346 7.018 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.316 -2.880 6.660 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.706 -4.522 6.343 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.572 -3.265 5.090 1.00 0.00 H new ATOM 1837 N GLN B 27 17.923 -5.788 7.468 1.00 0.00 N ATOM 1838 CA GLN B 27 18.031 -7.206 7.780 1.00 0.00 C ATOM 1839 C GLN B 27 17.074 -8.001 6.904 1.00 0.00 C ATOM 1840 O GLN B 27 17.399 -9.088 6.432 1.00 0.00 O ATOM 1841 CB GLN B 27 17.720 -7.456 9.259 1.00 0.00 C ATOM 1842 CG GLN B 27 18.655 -6.728 10.208 1.00 0.00 C ATOM 1843 CD GLN B 27 18.334 -7.002 11.664 1.00 0.00 C ATOM 1844 OE1 GLN B 27 18.381 -8.146 12.117 1.00 0.00 O ATOM 1845 NE2 GLN B 27 18.005 -5.952 12.406 1.00 0.00 N ATOM 0 H GLN B 27 17.620 -5.205 8.248 1.00 0.00 H new ATOM 0 HA GLN B 27 19.052 -7.531 7.582 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.695 -7.147 9.463 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.775 -8.526 9.457 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.682 -7.029 10.003 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.594 -5.656 10.021 1.00 0.00 H new ATOM 0 HE21 GLN B 27 17.979 -5.021 11.989 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.779 -6.076 13.393 1.00 0.00 H new ATOM 1854 N ALA B 28 15.888 -7.438 6.686 1.00 0.00 N ATOM 1855 CA ALA B 28 14.873 -8.080 5.863 1.00 0.00 C ATOM 1856 C ALA B 28 15.413 -8.413 4.479 1.00 0.00 C ATOM 1857 O ALA B 28 15.207 -9.514 3.973 1.00 0.00 O ATOM 1858 CB ALA B 28 13.653 -7.183 5.742 1.00 0.00 C ATOM 0 H ALA B 28 15.608 -6.536 7.070 1.00 0.00 H new ATOM 0 HA ALA B 28 14.587 -9.013 6.349 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.901 -7.673 5.124 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.241 -6.993 6.733 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.941 -6.238 5.281 1.00 0.00 H new ATOM 1864 N LEU B 29 16.100 -7.455 3.865 1.00 0.00 N ATOM 1865 CA LEU B 29 16.661 -7.664 2.538 1.00 0.00 C ATOM 1866 C LEU B 29 17.725 -8.752 2.557 1.00 0.00 C ATOM 1867 O LEU B 29 17.748 -9.631 1.697 1.00 0.00 O ATOM 1868 CB LEU B 29 17.245 -6.364 1.995 1.00 0.00 C ATOM 1869 CG LEU B 29 16.199 -5.333 1.583 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.841 -3.973 1.364 1.00 0.00 C ATOM 1871 CD2 LEU B 29 15.477 -5.790 0.323 1.00 0.00 C ATOM 0 H LEU B 29 16.280 -6.533 4.263 1.00 0.00 H new ATOM 0 HA LEU B 29 15.855 -7.989 1.881 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.893 -5.925 2.754 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.873 -6.593 1.134 1.00 0.00 H new ATOM 0 HG LEU B 29 15.471 -5.240 2.389 1.00 0.00 H new ATOM 0 HD11 LEU B 29 16.077 -3.253 1.071 1.00 0.00 H new ATOM 0 HD12 LEU B 29 17.316 -3.642 2.287 1.00 0.00 H new ATOM 0 HD13 LEU B 29 17.591 -4.047 0.576 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.733 -5.045 0.040 1.00 0.00 H new ATOM 0 HD22 LEU B 29 16.197 -5.909 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.983 -6.743 0.512 1.00 0.00 H new ATOM 1883 N GLU B 30 18.607 -8.684 3.543 1.00 0.00 N ATOM 1884 CA GLU B 30 19.677 -9.662 3.681 1.00 0.00 C ATOM 1885 C GLU B 30 19.129 -11.027 4.090 1.00 0.00 C ATOM 1886 O GLU B 30 19.677 -12.064 3.716 1.00 0.00 O ATOM 1887 CB GLU B 30 20.702 -9.185 4.712 1.00 0.00 C ATOM 1888 CG GLU B 30 21.342 -7.849 4.368 1.00 0.00 C ATOM 1889 CD GLU B 30 22.103 -7.884 3.056 1.00 0.00 C ATOM 1890 OE1 GLU B 30 21.472 -8.138 2.008 1.00 0.00 O ATOM 1891 OE2 GLU B 30 23.331 -7.656 3.077 1.00 0.00 O ATOM 0 H GLU B 30 18.603 -7.960 4.261 1.00 0.00 H new ATOM 0 HA GLU B 30 20.163 -9.764 2.711 1.00 0.00 H new ATOM 0 HB2 GLU B 30 20.215 -9.105 5.684 1.00 0.00 H new ATOM 0 HB3 GLU B 30 21.484 -9.938 4.808 1.00 0.00 H new ATOM 0 HG2 GLU B 30 20.568 -7.083 4.314 1.00 0.00 H new ATOM 0 HG3 GLU B 30 22.021 -7.559 5.170 1.00 0.00 H new ATOM 1898 N LYS B 31 18.056 -11.020 4.874 1.00 0.00 N ATOM 1899 CA LYS B 31 17.443 -12.253 5.348 1.00 0.00 C ATOM 1900 C LYS B 31 16.470 -12.834 4.330 1.00 0.00 C ATOM 1901 O LYS B 31 16.345 -14.053 4.210 1.00 0.00 O ATOM 1902 CB LYS B 31 16.723 -12.011 6.677 1.00 0.00 C ATOM 1903 CG LYS B 31 17.660 -11.668 7.824 1.00 0.00 C ATOM 1904 CD LYS B 31 16.893 -11.390 9.106 1.00 0.00 C ATOM 1905 CE LYS B 31 16.073 -12.597 9.540 1.00 0.00 C ATOM 1906 NZ LYS B 31 15.325 -12.336 10.799 1.00 0.00 N ATOM 0 H LYS B 31 17.592 -10.170 5.195 1.00 0.00 H new ATOM 0 HA LYS B 31 18.244 -12.978 5.494 1.00 0.00 H new ATOM 0 HB2 LYS B 31 16.006 -11.200 6.550 1.00 0.00 H new ATOM 0 HB3 LYS B 31 16.153 -12.902 6.939 1.00 0.00 H new ATOM 0 HG2 LYS B 31 18.355 -12.492 7.986 1.00 0.00 H new ATOM 0 HG3 LYS B 31 18.257 -10.795 7.559 1.00 0.00 H new ATOM 0 HD2 LYS B 31 17.592 -11.120 9.898 1.00 0.00 H new ATOM 0 HD3 LYS B 31 16.233 -10.535 8.958 1.00 0.00 H new ATOM 0 HE2 LYS B 31 15.371 -12.862 8.749 1.00 0.00 H new ATOM 0 HE3 LYS B 31 16.733 -13.453 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 14.780 -13.182 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 15.996 -12.108 11.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 14.676 -11.536 10.658 1.00 0.00 H new ATOM 1920 N TYR B 32 15.768 -11.967 3.607 1.00 0.00 N ATOM 1921 CA TYR B 32 14.798 -12.430 2.620 1.00 0.00 C ATOM 1922 C TYR B 32 15.118 -11.910 1.223 1.00 0.00 C ATOM 1923 O TYR B 32 15.053 -12.655 0.246 1.00 0.00 O ATOM 1924 CB TYR B 32 13.385 -11.998 3.021 1.00 0.00 C ATOM 1925 CG TYR B 32 12.970 -12.480 4.394 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.628 -12.037 5.535 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.921 -13.376 4.550 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.253 -12.473 6.790 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.539 -13.819 5.803 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.208 -13.364 6.919 1.00 0.00 C ATOM 1931 OH TYR B 32 11.831 -13.801 8.168 1.00 0.00 O ATOM 0 H TYR B 32 15.850 -10.953 3.684 1.00 0.00 H new ATOM 0 HA TYR B 32 14.854 -13.518 2.595 1.00 0.00 H new ATOM 0 HB2 TYR B 32 13.326 -10.910 2.994 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.676 -12.374 2.284 1.00 0.00 H new ATOM 0 HD1 TYR B 32 14.447 -11.340 5.438 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.394 -13.733 3.678 1.00 0.00 H new ATOM 0 HE1 TYR B 32 13.775 -12.118 7.666 1.00 0.00 H new ATOM 0 HE2 TYR B 32 10.722 -14.517 5.907 1.00 0.00 H new ATOM 0 HH TYR B 32 11.079 -14.424 8.084 1.00 0.00 H new ATOM 1941 N ASN B 33 15.453 -10.629 1.130 1.00 0.00 N ATOM 1942 CA ASN B 33 15.770 -10.013 -0.153 1.00 0.00 C ATOM 1943 C ASN B 33 14.542 -10.000 -1.061 1.00 0.00 C ATOM 1944 O ASN B 33 14.637 -10.267 -2.259 1.00 0.00 O ATOM 1945 CB ASN B 33 16.921 -10.758 -0.840 1.00 0.00 C ATOM 1946 CG ASN B 33 17.343 -10.101 -2.140 1.00 0.00 C ATOM 1947 OD1 ASN B 33 17.755 -8.942 -2.157 1.00 0.00 O ATOM 1948 ND2 ASN B 33 17.242 -10.843 -3.237 1.00 0.00 N ATOM 0 H ASN B 33 15.512 -9.996 1.928 1.00 0.00 H new ATOM 0 HA ASN B 33 16.080 -8.985 0.033 1.00 0.00 H new ATOM 0 HB2 ASN B 33 17.775 -10.802 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.618 -11.786 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN B 33 17.512 -10.456 -4.141 1.00 0.00 H new ATOM 0 HD22 ASN B 33 16.895 -11.800 -3.175 1.00 0.00 H new ATOM 1955 N ILE B 34 13.389 -9.687 -0.479 1.00 0.00 N ATOM 1956 CA ILE B 34 12.139 -9.635 -1.227 1.00 0.00 C ATOM 1957 C ILE B 34 11.166 -8.659 -0.572 1.00 0.00 C ATOM 1958 O ILE B 34 10.690 -8.891 0.538 1.00 0.00 O ATOM 1959 CB ILE B 34 11.481 -11.026 -1.311 1.00 0.00 C ATOM 1960 CG1 ILE B 34 12.433 -12.029 -1.967 1.00 0.00 C ATOM 1961 CG2 ILE B 34 10.165 -10.959 -2.079 1.00 0.00 C ATOM 1962 CD1 ILE B 34 11.847 -13.417 -2.112 1.00 0.00 C ATOM 0 H ILE B 34 13.295 -9.465 0.512 1.00 0.00 H new ATOM 0 HA ILE B 34 12.374 -9.296 -2.236 1.00 0.00 H new ATOM 0 HB ILE B 34 11.266 -11.363 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE B 34 12.715 -11.658 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE B 34 13.347 -12.090 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE B 34 9.720 -11.953 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE B 34 9.482 -10.278 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE B 34 10.352 -10.598 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE B 34 12.578 -14.073 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE B 34 11.591 -13.809 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.949 -13.370 -2.729 1.00 0.00 H new ATOM 1974 N GLU B 35 10.884 -7.561 -1.271 1.00 0.00 N ATOM 1975 CA GLU B 35 9.979 -6.525 -0.771 1.00 0.00 C ATOM 1976 C GLU B 35 8.748 -7.115 -0.080 1.00 0.00 C ATOM 1977 O GLU B 35 8.322 -6.622 0.964 1.00 0.00 O ATOM 1978 CB GLU B 35 9.540 -5.602 -1.914 1.00 0.00 C ATOM 1979 CG GLU B 35 8.817 -6.313 -3.048 1.00 0.00 C ATOM 1980 CD GLU B 35 9.729 -7.222 -3.848 1.00 0.00 C ATOM 1981 OE1 GLU B 35 10.711 -6.716 -4.432 1.00 0.00 O ATOM 1982 OE2 GLU B 35 9.462 -8.442 -3.893 1.00 0.00 O ATOM 0 H GLU B 35 11.273 -7.364 -2.193 1.00 0.00 H new ATOM 0 HA GLU B 35 10.532 -5.950 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU B 35 8.887 -4.828 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU B 35 10.419 -5.099 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.996 -6.900 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU B 35 8.377 -5.571 -3.714 1.00 0.00 H new ATOM 1989 N LYS B 36 8.179 -8.164 -0.664 1.00 0.00 N ATOM 1990 CA LYS B 36 6.996 -8.802 -0.091 1.00 0.00 C ATOM 1991 C LYS B 36 7.271 -9.309 1.323 1.00 0.00 C ATOM 1992 O LYS B 36 6.569 -8.952 2.270 1.00 0.00 O ATOM 1993 CB LYS B 36 6.548 -9.972 -0.968 1.00 0.00 C ATOM 1994 CG LYS B 36 5.296 -10.669 -0.458 1.00 0.00 C ATOM 1995 CD LYS B 36 5.087 -12.011 -1.141 1.00 0.00 C ATOM 1996 CE LYS B 36 6.180 -13.001 -0.768 1.00 0.00 C ATOM 1997 NZ LYS B 36 5.963 -14.332 -1.399 1.00 0.00 N ATOM 0 H LYS B 36 8.514 -8.590 -1.528 1.00 0.00 H new ATOM 0 HA LYS B 36 6.206 -8.053 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS B 36 6.365 -9.608 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS B 36 7.358 -10.699 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS B 36 5.374 -10.816 0.619 1.00 0.00 H new ATOM 0 HG3 LYS B 36 4.428 -10.033 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS B 36 4.115 -12.417 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS B 36 5.073 -11.872 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS B 36 7.148 -12.606 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS B 36 6.213 -13.114 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 6.729 -14.978 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 5.051 -14.721 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 5.957 -14.229 -2.434 1.00 0.00 H new ATOM 2011 N ASP B 37 8.291 -10.149 1.453 1.00 0.00 N ATOM 2012 CA ASP B 37 8.660 -10.724 2.745 1.00 0.00 C ATOM 2013 C ASP B 37 9.072 -9.647 3.745 1.00 0.00 C ATOM 2014 O ASP B 37 8.729 -9.720 4.924 1.00 0.00 O ATOM 2015 CB ASP B 37 9.798 -11.728 2.566 1.00 0.00 C ATOM 2016 CG ASP B 37 9.421 -12.874 1.647 1.00 0.00 C ATOM 2017 OD1 ASP B 37 9.092 -12.608 0.472 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.458 -14.036 2.102 1.00 0.00 O ATOM 0 H ASP B 37 8.881 -10.449 0.677 1.00 0.00 H new ATOM 0 HA ASP B 37 7.782 -11.233 3.143 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.671 -11.215 2.163 1.00 0.00 H new ATOM 0 HB3 ASP B 37 10.084 -12.126 3.540 1.00 0.00 H new ATOM 2023 N ILE B 38 9.817 -8.652 3.270 1.00 0.00 N ATOM 2024 CA ILE B 38 10.287 -7.563 4.126 1.00 0.00 C ATOM 2025 C ILE B 38 9.164 -7.018 5.008 1.00 0.00 C ATOM 2026 O ILE B 38 9.293 -6.952 6.231 1.00 0.00 O ATOM 2027 CB ILE B 38 10.871 -6.412 3.273 1.00 0.00 C ATOM 2028 CG1 ILE B 38 12.077 -6.902 2.473 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.264 -5.226 4.145 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.650 -5.854 1.543 1.00 0.00 C ATOM 0 H ILE B 38 10.109 -8.576 2.296 1.00 0.00 H new ATOM 0 HA ILE B 38 11.067 -7.972 4.769 1.00 0.00 H new ATOM 0 HB ILE B 38 10.097 -6.081 2.580 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.854 -7.227 3.165 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.785 -7.775 1.889 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.671 -4.433 3.518 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.385 -4.856 4.674 1.00 0.00 H new ATOM 0 HG23 ILE B 38 12.017 -5.540 4.868 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.503 -6.270 1.007 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.887 -5.546 0.828 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.973 -4.990 2.124 1.00 0.00 H new ATOM 2042 N ALA B 39 8.066 -6.623 4.375 1.00 0.00 N ATOM 2043 CA ALA B 39 6.922 -6.073 5.091 1.00 0.00 C ATOM 2044 C ALA B 39 6.269 -7.103 6.008 1.00 0.00 C ATOM 2045 O ALA B 39 5.628 -6.744 6.995 1.00 0.00 O ATOM 2046 CB ALA B 39 5.902 -5.533 4.101 1.00 0.00 C ATOM 0 H ALA B 39 7.944 -6.674 3.364 1.00 0.00 H new ATOM 0 HA ALA B 39 7.287 -5.262 5.721 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.050 -5.124 4.643 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.360 -4.748 3.499 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.564 -6.340 3.450 1.00 0.00 H new ATOM 2052 N ALA B 40 6.411 -8.379 5.669 1.00 0.00 N ATOM 2053 CA ALA B 40 5.804 -9.445 6.459 1.00 0.00 C ATOM 2054 C ALA B 40 6.440 -9.579 7.841 1.00 0.00 C ATOM 2055 O ALA B 40 5.775 -9.396 8.861 1.00 0.00 O ATOM 2056 CB ALA B 40 5.897 -10.765 5.708 1.00 0.00 C ATOM 0 H ALA B 40 6.938 -8.700 4.857 1.00 0.00 H new ATOM 0 HA ALA B 40 4.757 -9.182 6.611 1.00 0.00 H new ATOM 0 HB1 ALA B 40 5.442 -11.556 6.304 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.372 -10.680 4.757 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.944 -11.006 5.524 1.00 0.00 H new ATOM 2062 N HIS B 41 7.722 -9.921 7.870 1.00 0.00 N ATOM 2063 CA HIS B 41 8.434 -10.111 9.128 1.00 0.00 C ATOM 2064 C HIS B 41 8.538 -8.806 9.921 1.00 0.00 C ATOM 2065 O HIS B 41 8.293 -8.784 11.127 1.00 0.00 O ATOM 2066 CB HIS B 41 9.828 -10.695 8.858 1.00 0.00 C ATOM 2067 CG HIS B 41 10.935 -9.686 8.872 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.420 -9.126 10.032 1.00 0.00 N ATOM 2069 CD2 HIS B 41 11.651 -9.138 7.862 1.00 0.00 C ATOM 2070 CE1 HIS B 41 12.387 -8.279 9.739 1.00 0.00 C ATOM 2071 NE2 HIS B 41 12.551 -8.266 8.429 1.00 0.00 N ATOM 0 H HIS B 41 8.290 -10.073 7.037 1.00 0.00 H new ATOM 0 HA HIS B 41 7.865 -10.814 9.736 1.00 0.00 H new ATOM 0 HB2 HIS B 41 10.040 -11.459 9.606 1.00 0.00 H new ATOM 0 HB3 HIS B 41 9.819 -11.193 7.888 1.00 0.00 H new ATOM 0 HD1 HIS B 41 11.084 -9.334 10.972 1.00 0.00 H new ATOM 0 HD2 HIS B 41 11.537 -9.346 6.808 1.00 0.00 H new ATOM 0 HE1 HIS B 41 12.950 -7.694 10.451 1.00 0.00 H new ATOM 2080 N ILE B 42 8.917 -7.727 9.242 1.00 0.00 N ATOM 2081 CA ILE B 42 9.066 -6.431 9.898 1.00 0.00 C ATOM 2082 C ILE B 42 7.757 -5.968 10.532 1.00 0.00 C ATOM 2083 O ILE B 42 7.739 -5.519 11.677 1.00 0.00 O ATOM 2084 CB ILE B 42 9.559 -5.354 8.912 1.00 0.00 C ATOM 2085 CG1 ILE B 42 10.885 -5.777 8.287 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.706 -4.007 9.611 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.386 -4.803 7.249 1.00 0.00 C ATOM 0 H ILE B 42 9.126 -7.723 8.244 1.00 0.00 H new ATOM 0 HA ILE B 42 9.811 -6.564 10.682 1.00 0.00 H new ATOM 0 HB ILE B 42 8.817 -5.248 8.121 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.634 -5.879 9.072 1.00 0.00 H new ATOM 0 HG13 ILE B 42 10.767 -6.759 7.829 1.00 0.00 H new ATOM 0 HG21 ILE B 42 10.055 -3.262 8.896 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.741 -3.699 10.014 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.427 -4.096 10.424 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.332 -5.160 6.842 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.654 -4.719 6.446 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.534 -3.826 7.709 1.00 0.00 H new ATOM 2099 N LYS B 43 6.666 -6.070 9.782 1.00 0.00 N ATOM 2100 CA LYS B 43 5.360 -5.651 10.279 1.00 0.00 C ATOM 2101 C LYS B 43 4.988 -6.404 11.553 1.00 0.00 C ATOM 2102 O LYS B 43 4.595 -5.799 12.550 1.00 0.00 O ATOM 2103 CB LYS B 43 4.287 -5.874 9.214 1.00 0.00 C ATOM 2104 CG LYS B 43 2.900 -5.417 9.643 1.00 0.00 C ATOM 2105 CD LYS B 43 1.847 -5.708 8.583 1.00 0.00 C ATOM 2106 CE LYS B 43 1.367 -7.154 8.636 1.00 0.00 C ATOM 2107 NZ LYS B 43 2.456 -8.127 8.349 1.00 0.00 N ATOM 0 H LYS B 43 6.659 -6.438 8.831 1.00 0.00 H new ATOM 0 HA LYS B 43 5.418 -4.588 10.512 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.571 -5.342 8.306 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.250 -6.934 8.964 1.00 0.00 H new ATOM 0 HG2 LYS B 43 2.626 -5.916 10.572 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.919 -4.347 9.850 1.00 0.00 H new ATOM 0 HD2 LYS B 43 0.998 -5.039 8.722 1.00 0.00 H new ATOM 0 HD3 LYS B 43 2.259 -5.499 7.596 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.951 -7.359 9.622 1.00 0.00 H new ATOM 0 HE3 LYS B 43 0.561 -7.293 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 2.048 -8.997 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 3.121 -7.712 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 2.961 -8.353 9.230 1.00 0.00 H new ATOM 2121 N LYS B 44 5.108 -7.727 11.512 1.00 0.00 N ATOM 2122 CA LYS B 44 4.775 -8.560 12.664 1.00 0.00 C ATOM 2123 C LYS B 44 5.618 -8.196 13.881 1.00 0.00 C ATOM 2124 O LYS B 44 5.099 -8.086 14.993 1.00 0.00 O ATOM 2125 CB LYS B 44 4.970 -10.040 12.325 1.00 0.00 C ATOM 2126 CG LYS B 44 4.064 -10.538 11.211 1.00 0.00 C ATOM 2127 CD LYS B 44 4.359 -11.989 10.866 1.00 0.00 C ATOM 2128 CE LYS B 44 3.450 -12.495 9.758 1.00 0.00 C ATOM 2129 NZ LYS B 44 2.015 -12.460 10.151 1.00 0.00 N ATOM 0 H LYS B 44 5.433 -8.245 10.696 1.00 0.00 H new ATOM 0 HA LYS B 44 3.728 -8.378 12.908 1.00 0.00 H new ATOM 0 HB2 LYS B 44 6.008 -10.203 12.037 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.790 -10.635 13.220 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.022 -10.439 11.515 1.00 0.00 H new ATOM 0 HG3 LYS B 44 4.198 -9.917 10.325 1.00 0.00 H new ATOM 0 HD2 LYS B 44 5.400 -12.086 10.557 1.00 0.00 H new ATOM 0 HD3 LYS B 44 4.231 -12.608 11.754 1.00 0.00 H new ATOM 0 HE2 LYS B 44 3.596 -11.888 8.865 1.00 0.00 H new ATOM 0 HE3 LYS B 44 3.729 -13.516 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 1.590 -13.397 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 1.936 -12.204 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 1.514 -11.755 9.574 1.00 0.00 H new ATOM 2143 N GLU B 45 6.918 -8.019 13.674 1.00 0.00 N ATOM 2144 CA GLU B 45 7.824 -7.681 14.766 1.00 0.00 C ATOM 2145 C GLU B 45 7.359 -6.423 15.495 1.00 0.00 C ATOM 2146 O GLU B 45 7.275 -6.402 16.722 1.00 0.00 O ATOM 2147 CB GLU B 45 9.244 -7.481 14.238 1.00 0.00 C ATOM 2148 CG GLU B 45 10.263 -7.200 15.330 1.00 0.00 C ATOM 2149 CD GLU B 45 11.658 -6.974 14.784 1.00 0.00 C ATOM 2150 OE1 GLU B 45 11.842 -6.020 14.001 1.00 0.00 O ATOM 2151 OE2 GLU B 45 12.568 -7.753 15.139 1.00 0.00 O ATOM 0 H GLU B 45 7.368 -8.104 12.762 1.00 0.00 H new ATOM 0 HA GLU B 45 7.820 -8.510 15.473 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.548 -8.372 13.689 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.246 -6.654 13.528 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.951 -6.321 15.894 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.282 -8.037 16.028 1.00 0.00 H new ATOM 2158 N PHE B 46 7.057 -5.377 14.734 1.00 0.00 N ATOM 2159 CA PHE B 46 6.600 -4.117 15.313 1.00 0.00 C ATOM 2160 C PHE B 46 5.270 -4.284 16.040 1.00 0.00 C ATOM 2161 O PHE B 46 5.103 -3.799 17.158 1.00 0.00 O ATOM 2162 CB PHE B 46 6.482 -3.044 14.233 1.00 0.00 C ATOM 2163 CG PHE B 46 7.794 -2.402 13.870 1.00 0.00 C ATOM 2164 CD1 PHE B 46 8.512 -1.690 14.819 1.00 0.00 C ATOM 2165 CD2 PHE B 46 8.305 -2.503 12.586 1.00 0.00 C ATOM 2166 CE1 PHE B 46 9.713 -1.091 14.494 1.00 0.00 C ATOM 2167 CE2 PHE B 46 9.509 -1.907 12.256 1.00 0.00 C ATOM 2168 CZ PHE B 46 10.215 -1.199 13.211 1.00 0.00 C ATOM 0 H PHE B 46 7.120 -5.375 13.716 1.00 0.00 H new ATOM 0 HA PHE B 46 7.343 -3.802 16.045 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.046 -3.488 13.338 1.00 0.00 H new ATOM 0 HB3 PHE B 46 5.792 -2.272 14.574 1.00 0.00 H new ATOM 0 HD1 PHE B 46 8.127 -1.603 15.824 1.00 0.00 H new ATOM 0 HD2 PHE B 46 7.757 -3.053 11.835 1.00 0.00 H new ATOM 0 HE1 PHE B 46 10.260 -0.538 15.243 1.00 0.00 H new ATOM 0 HE2 PHE B 46 9.898 -1.995 11.252 1.00 0.00 H new ATOM 0 HZ PHE B 46 11.155 -0.732 12.955 1.00 0.00 H new ATOM 2178 N ASP B 47 4.327 -4.970 15.406 1.00 0.00 N ATOM 2179 CA ASP B 47 3.017 -5.192 16.009 1.00 0.00 C ATOM 2180 C ASP B 47 3.152 -5.909 17.349 1.00 0.00 C ATOM 2181 O ASP B 47 2.389 -5.661 18.277 1.00 0.00 O ATOM 2182 CB ASP B 47 2.124 -6.009 15.073 1.00 0.00 C ATOM 2183 CG ASP B 47 1.853 -5.300 13.761 1.00 0.00 C ATOM 2184 OD1 ASP B 47 1.333 -4.166 13.795 1.00 0.00 O ATOM 2185 OD2 ASP B 47 2.155 -5.883 12.699 1.00 0.00 O ATOM 0 H ASP B 47 4.443 -5.381 14.479 1.00 0.00 H new ATOM 0 HA ASP B 47 2.557 -4.218 16.177 1.00 0.00 H new ATOM 0 HB2 ASP B 47 2.598 -6.970 14.872 1.00 0.00 H new ATOM 0 HB3 ASP B 47 1.177 -6.219 15.571 1.00 0.00 H new ATOM 2190 N LYS B 48 4.120 -6.808 17.434 1.00 0.00 N ATOM 2191 CA LYS B 48 4.351 -7.573 18.652 1.00 0.00 C ATOM 2192 C LYS B 48 5.048 -6.727 19.720 1.00 0.00 C ATOM 2193 O LYS B 48 4.731 -6.817 20.906 1.00 0.00 O ATOM 2194 CB LYS B 48 5.200 -8.806 18.333 1.00 0.00 C ATOM 2195 CG LYS B 48 4.892 -10.005 19.212 1.00 0.00 C ATOM 2196 CD LYS B 48 4.982 -9.661 20.688 1.00 0.00 C ATOM 2197 CE LYS B 48 4.602 -10.847 21.555 1.00 0.00 C ATOM 2198 NZ LYS B 48 5.493 -12.019 21.323 1.00 0.00 N ATOM 0 H LYS B 48 4.761 -7.027 16.672 1.00 0.00 H new ATOM 0 HA LYS B 48 3.383 -7.883 19.046 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.045 -9.082 17.290 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.254 -8.548 18.442 1.00 0.00 H new ATOM 0 HG2 LYS B 48 3.892 -10.374 18.985 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.589 -10.811 18.984 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.996 -9.343 20.928 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.324 -8.821 20.909 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.650 -10.558 22.605 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.570 -11.130 21.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.334 -12.728 22.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.281 -12.438 20.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.486 -11.710 21.345 1.00 0.00 H new ATOM 2212 N LYS B 49 6.013 -5.924 19.292 1.00 0.00 N ATOM 2213 CA LYS B 49 6.780 -5.085 20.215 1.00 0.00 C ATOM 2214 C LYS B 49 6.068 -3.780 20.566 1.00 0.00 C ATOM 2215 O LYS B 49 5.792 -3.507 21.733 1.00 0.00 O ATOM 2216 CB LYS B 49 8.152 -4.772 19.615 1.00 0.00 C ATOM 2217 CG LYS B 49 8.983 -6.007 19.319 1.00 0.00 C ATOM 2218 CD LYS B 49 10.369 -5.637 18.817 1.00 0.00 C ATOM 2219 CE LYS B 49 11.221 -6.873 18.573 1.00 0.00 C ATOM 2220 NZ LYS B 49 12.577 -6.521 18.067 1.00 0.00 N ATOM 0 H LYS B 49 6.286 -5.833 18.313 1.00 0.00 H new ATOM 0 HA LYS B 49 6.889 -5.652 21.140 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.015 -4.207 18.693 1.00 0.00 H new ATOM 0 HB3 LYS B 49 8.702 -4.131 20.303 1.00 0.00 H new ATOM 0 HG2 LYS B 49 9.071 -6.613 20.221 1.00 0.00 H new ATOM 0 HG3 LYS B 49 8.476 -6.618 18.573 1.00 0.00 H new ATOM 0 HD2 LYS B 49 10.282 -5.065 17.893 1.00 0.00 H new ATOM 0 HD3 LYS B 49 10.861 -4.992 19.545 1.00 0.00 H new ATOM 0 HE2 LYS B 49 11.315 -7.438 19.500 1.00 0.00 H new ATOM 0 HE3 LYS B 49 10.722 -7.522 17.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 12.742 -6.996 17.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 12.642 -5.491 17.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 13.295 -6.829 18.754 1.00 0.00 H new ATOM 2234 N TYR B 50 5.812 -2.966 19.554 1.00 0.00 N ATOM 2235 CA TYR B 50 5.171 -1.668 19.753 1.00 0.00 C ATOM 2236 C TYR B 50 3.650 -1.765 19.810 1.00 0.00 C ATOM 2237 O TYR B 50 2.996 -0.865 20.332 1.00 0.00 O ATOM 2238 CB TYR B 50 5.596 -0.698 18.652 1.00 0.00 C ATOM 2239 CG TYR B 50 7.073 -0.368 18.681 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.030 -1.364 18.534 1.00 0.00 C ATOM 2241 CD2 TYR B 50 7.510 0.938 18.864 1.00 0.00 C ATOM 2242 CE1 TYR B 50 9.377 -1.071 18.568 1.00 0.00 C ATOM 2243 CE2 TYR B 50 8.857 1.241 18.897 1.00 0.00 C ATOM 2244 CZ TYR B 50 9.787 0.232 18.749 1.00 0.00 C ATOM 2245 OH TYR B 50 11.131 0.529 18.783 1.00 0.00 O ATOM 0 H TYR B 50 6.038 -3.179 18.582 1.00 0.00 H new ATOM 0 HA TYR B 50 5.502 -1.293 20.722 1.00 0.00 H new ATOM 0 HB2 TYR B 50 5.346 -1.128 17.682 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.023 0.224 18.749 1.00 0.00 H new ATOM 0 HD1 TYR B 50 7.713 -2.386 18.390 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.785 1.729 18.982 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.107 -1.859 18.453 1.00 0.00 H new ATOM 0 HE2 TYR B 50 9.181 2.262 19.038 1.00 0.00 H new ATOM 0 HH TYR B 50 11.250 1.493 18.917 1.00 0.00 H new ATOM 2255 N ASN B 51 3.096 -2.844 19.254 1.00 0.00 N ATOM 2256 CA ASN B 51 1.645 -3.059 19.217 1.00 0.00 C ATOM 2257 C ASN B 51 1.073 -2.530 17.907 1.00 0.00 C ATOM 2258 O ASN B 51 1.523 -1.506 17.394 1.00 0.00 O ATOM 2259 CB ASN B 51 0.929 -2.398 20.404 1.00 0.00 C ATOM 2260 CG ASN B 51 1.513 -2.817 21.738 1.00 0.00 C ATOM 2261 OD1 ASN B 51 1.531 -4.001 22.077 1.00 0.00 O ATOM 2262 ND2 ASN B 51 1.995 -1.845 22.503 1.00 0.00 N ATOM 0 H ASN B 51 3.636 -3.591 18.818 1.00 0.00 H new ATOM 0 HA ASN B 51 1.474 -4.133 19.288 1.00 0.00 H new ATOM 0 HB2 ASN B 51 0.994 -1.314 20.306 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -0.129 -2.657 20.376 1.00 0.00 H new ATOM 0 HD21 ASN B 51 2.401 -2.066 23.412 1.00 0.00 H new ATOM 0 HD22 ASN B 51 1.959 -0.878 22.182 1.00 0.00 H new ATOM 2269 N PRO B 52 0.083 -3.231 17.334 1.00 0.00 N ATOM 2270 CA PRO B 52 -0.528 -2.829 16.067 1.00 0.00 C ATOM 2271 C PRO B 52 -1.040 -1.386 16.087 1.00 0.00 C ATOM 2272 O PRO B 52 -1.100 -0.762 17.147 1.00 0.00 O ATOM 2273 CB PRO B 52 -1.693 -3.807 15.900 1.00 0.00 C ATOM 2274 CG PRO B 52 -1.308 -4.999 16.704 1.00 0.00 C ATOM 2275 CD PRO B 52 -0.510 -4.474 17.864 1.00 0.00 C ATOM 0 HA PRO B 52 0.192 -2.859 15.249 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -2.627 -3.374 16.257 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -1.843 -4.068 14.852 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -2.190 -5.539 17.049 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -0.719 -5.698 16.109 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -1.141 -4.281 18.731 1.00 0.00 H new ATOM 0 HD3 PRO B 52 0.256 -5.183 18.179 1.00 0.00 H new ATOM 2283 N THR B 53 -1.402 -0.847 14.913 1.00 0.00 N ATOM 2284 CA THR B 53 -1.331 -1.583 13.653 1.00 0.00 C ATOM 2285 C THR B 53 -0.365 -0.921 12.681 1.00 0.00 C ATOM 2286 O THR B 53 -0.557 0.228 12.292 1.00 0.00 O ATOM 2287 CB THR B 53 -2.724 -1.655 13.032 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.712 -2.439 11.854 1.00 0.00 O ATOM 2289 CG2 THR B 53 -3.288 -0.297 12.675 1.00 0.00 C ATOM 0 H THR B 53 -1.750 0.107 14.816 1.00 0.00 H new ATOM 0 HA THR B 53 -0.963 -2.588 13.859 1.00 0.00 H new ATOM 0 HB THR B 53 -3.357 -2.106 13.796 1.00 0.00 H new ATOM 0 HG1 THR B 53 -3.615 -2.473 11.474 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.279 -0.418 12.238 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.360 0.315 13.574 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.632 0.192 11.955 1.00 0.00 H new ATOM 2297 N TRP B 54 0.677 -1.655 12.296 1.00 0.00 N ATOM 2298 CA TRP B 54 1.681 -1.129 11.377 1.00 0.00 C ATOM 2299 C TRP B 54 1.387 -1.491 9.930 1.00 0.00 C ATOM 2300 O TRP B 54 1.203 -2.658 9.587 1.00 0.00 O ATOM 2301 CB TRP B 54 3.063 -1.638 11.766 1.00 0.00 C ATOM 2302 CG TRP B 54 3.463 -1.206 13.135 1.00 0.00 C ATOM 2303 CD1 TRP B 54 2.815 -1.494 14.299 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.586 -0.395 13.485 1.00 0.00 C ATOM 2305 NE1 TRP B 54 3.469 -0.920 15.356 1.00 0.00 N ATOM 2306 CE2 TRP B 54 4.564 -0.239 14.884 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.612 0.209 12.752 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 5.530 0.498 15.564 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.570 0.941 13.429 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.523 1.079 14.823 1.00 0.00 C ATOM 0 H TRP B 54 0.847 -2.612 12.605 1.00 0.00 H new ATOM 0 HA TRP B 54 1.651 -0.042 11.455 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.074 -2.727 11.714 1.00 0.00 H new ATOM 0 HB3 TRP B 54 3.796 -1.277 11.045 1.00 0.00 H new ATOM 0 HD1 TRP B 54 1.917 -2.088 14.376 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.189 -0.987 16.334 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.655 0.106 11.678 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 5.497 0.607 16.638 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.367 1.414 12.875 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.287 1.656 15.323 1.00 0.00 H new ATOM 2321 N HIS B 55 1.374 -0.470 9.084 1.00 0.00 N ATOM 2322 CA HIS B 55 1.136 -0.648 7.662 1.00 0.00 C ATOM 2323 C HIS B 55 2.464 -0.587 6.923 1.00 0.00 C ATOM 2324 O HIS B 55 3.313 0.248 7.243 1.00 0.00 O ATOM 2325 CB HIS B 55 0.194 0.441 7.156 1.00 0.00 C ATOM 2326 CG HIS B 55 -0.984 0.649 8.052 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.832 -0.368 8.417 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.449 1.763 8.662 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.774 0.104 9.209 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.566 1.397 9.376 1.00 0.00 N ATOM 0 H HIS B 55 1.527 0.499 9.364 1.00 0.00 H new ATOM 0 HA HIS B 55 0.671 -1.618 7.483 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.744 1.377 7.064 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.156 0.177 6.158 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -1.023 2.754 8.600 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.578 -0.469 9.646 1.00 0.00 H new ATOM 0 HE2 HIS B 55 -3.140 2.022 9.942 1.00 0.00 H new ATOM 2339 N CYS B 56 2.661 -1.474 5.952 1.00 0.00 N ATOM 2340 CA CYS B 56 3.919 -1.491 5.214 1.00 0.00 C ATOM 2341 C CYS B 56 3.711 -1.734 3.722 1.00 0.00 C ATOM 2342 O CYS B 56 2.773 -2.415 3.309 1.00 0.00 O ATOM 2343 CB CYS B 56 4.857 -2.552 5.786 1.00 0.00 C ATOM 2344 SG CYS B 56 6.500 -2.562 5.029 1.00 0.00 S ATOM 0 H CYS B 56 1.981 -2.177 5.662 1.00 0.00 H new ATOM 0 HA CYS B 56 4.369 -0.505 5.328 1.00 0.00 H new ATOM 0 HB2 CYS B 56 4.963 -2.389 6.859 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.402 -3.534 5.656 1.00 0.00 H new ATOM 0 HG CYS B 56 6.870 -1.341 4.778 1.00 0.00 H new ATOM 2350 N ILE B 57 4.612 -1.165 2.929 1.00 0.00 N ATOM 2351 CA ILE B 57 4.573 -1.295 1.478 1.00 0.00 C ATOM 2352 C ILE B 57 5.988 -1.209 0.913 1.00 0.00 C ATOM 2353 O ILE B 57 6.813 -0.448 1.418 1.00 0.00 O ATOM 2354 CB ILE B 57 3.703 -0.194 0.835 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.272 -0.264 1.373 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.710 -0.319 -0.682 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.359 0.795 0.797 1.00 0.00 C ATOM 0 H ILE B 57 5.389 -0.601 3.274 1.00 0.00 H new ATOM 0 HA ILE B 57 4.133 -2.264 1.242 1.00 0.00 H new ATOM 0 HB ILE B 57 4.126 0.776 1.098 1.00 0.00 H new ATOM 0 HG12 ILE B 57 1.858 -1.248 1.154 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.295 -0.162 2.458 1.00 0.00 H new ATOM 0 HG21 ILE B 57 3.091 0.467 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.731 -0.220 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE B 57 3.313 -1.293 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.361 0.686 1.222 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.750 1.783 1.039 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.306 0.680 -0.286 1.00 0.00 H new ATOM 2369 N VAL B 58 6.274 -1.990 -0.125 1.00 0.00 N ATOM 2370 CA VAL B 58 7.602 -1.983 -0.723 1.00 0.00 C ATOM 2371 C VAL B 58 7.559 -2.431 -2.180 1.00 0.00 C ATOM 2372 O VAL B 58 6.941 -3.442 -2.512 1.00 0.00 O ATOM 2373 CB VAL B 58 8.571 -2.895 0.059 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.969 -2.848 -0.546 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.607 -2.506 1.528 1.00 0.00 C ATOM 0 H VAL B 58 5.611 -2.629 -0.564 1.00 0.00 H new ATOM 0 HA VAL B 58 7.963 -0.955 -0.679 1.00 0.00 H new ATOM 0 HB VAL B 58 8.205 -3.919 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.634 -3.499 0.022 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.929 -3.186 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.346 -1.826 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.296 -3.161 2.061 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.942 -1.473 1.623 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.609 -2.604 1.955 1.00 0.00 H new ATOM 2385 N GLY B 59 8.223 -1.668 -3.042 1.00 0.00 N ATOM 2386 CA GLY B 59 8.253 -2.001 -4.453 1.00 0.00 C ATOM 2387 C GLY B 59 8.933 -0.936 -5.291 1.00 0.00 C ATOM 2388 O GLY B 59 9.927 -0.344 -4.868 1.00 0.00 O ATOM 0 H GLY B 59 8.740 -0.826 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.772 -2.950 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY B 59 7.233 -2.143 -4.811 1.00 0.00 H new ATOM 2392 N ARG B 60 8.390 -0.690 -6.482 1.00 0.00 N ATOM 2393 CA ARG B 60 8.949 0.315 -7.394 1.00 0.00 C ATOM 2394 C ARG B 60 7.931 0.759 -8.443 1.00 0.00 C ATOM 2395 O ARG B 60 8.289 0.997 -9.596 1.00 0.00 O ATOM 2396 CB ARG B 60 10.192 -0.236 -8.102 1.00 0.00 C ATOM 2397 CG ARG B 60 11.482 -0.096 -7.309 1.00 0.00 C ATOM 2398 CD ARG B 60 11.810 1.364 -7.040 1.00 0.00 C ATOM 2399 NE ARG B 60 13.127 1.528 -6.432 1.00 0.00 N ATOM 2400 CZ ARG B 60 13.645 2.705 -6.090 1.00 0.00 C ATOM 2401 NH1 ARG B 60 12.961 3.824 -6.296 1.00 0.00 N ATOM 2402 NH2 ARG B 60 14.852 2.766 -5.542 1.00 0.00 N ATOM 0 H ARG B 60 7.565 -1.170 -6.841 1.00 0.00 H new ATOM 0 HA ARG B 60 9.220 1.180 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG B 60 10.030 -1.290 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.309 0.278 -9.056 1.00 0.00 H new ATOM 0 HG2 ARG B 60 11.390 -0.630 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG B 60 12.301 -0.560 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG B 60 11.771 1.922 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG B 60 11.052 1.790 -6.383 1.00 0.00 H new ATOM 0 HE ARG B 60 13.683 0.691 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG B 60 12.033 3.784 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG B 60 13.363 4.723 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG B 60 15.384 1.910 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG B 60 15.248 3.669 -5.280 1.00 0.00 H new ATOM 2416 N ASN B 61 6.668 0.880 -8.035 1.00 0.00 N ATOM 2417 CA ASN B 61 5.590 1.306 -8.930 1.00 0.00 C ATOM 2418 C ASN B 61 4.240 0.973 -8.310 1.00 0.00 C ATOM 2419 O ASN B 61 3.654 -0.068 -8.609 1.00 0.00 O ATOM 2420 CB ASN B 61 5.697 0.628 -10.306 1.00 0.00 C ATOM 2421 CG ASN B 61 4.622 1.078 -11.290 1.00 0.00 C ATOM 2422 OD1 ASN B 61 3.870 2.126 -10.950 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 4.482 0.498 -12.366 1.00 0.00 N flip ATOM 0 H ASN B 61 6.363 0.687 -7.081 1.00 0.00 H new ATOM 0 HA ASN B 61 5.682 2.383 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN B 61 6.679 0.838 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.631 -0.452 -10.176 1.00 0.00 H new ATOM 0 HD21 ASN B 61 5.074 -0.301 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN B 61 3.774 0.816 -13.028 1.00 0.00 H new ATOM 2430 N PHE B 62 3.753 1.841 -7.428 1.00 0.00 N ATOM 2431 CA PHE B 62 2.478 1.587 -6.770 1.00 0.00 C ATOM 2432 C PHE B 62 1.904 2.824 -6.091 1.00 0.00 C ATOM 2433 O PHE B 62 2.627 3.616 -5.487 1.00 0.00 O ATOM 2434 CB PHE B 62 2.659 0.478 -5.737 1.00 0.00 C ATOM 2435 CG PHE B 62 3.629 0.824 -4.641 1.00 0.00 C ATOM 2436 CD1 PHE B 62 3.305 1.772 -3.682 1.00 0.00 C ATOM 2437 CD2 PHE B 62 4.868 0.208 -4.574 1.00 0.00 C ATOM 2438 CE1 PHE B 62 4.199 2.098 -2.678 1.00 0.00 C ATOM 2439 CE2 PHE B 62 5.764 0.529 -3.573 1.00 0.00 C ATOM 2440 CZ PHE B 62 5.429 1.475 -2.624 1.00 0.00 C ATOM 0 H PHE B 62 4.212 2.710 -7.157 1.00 0.00 H new ATOM 0 HA PHE B 62 1.769 1.288 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.691 0.246 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE B 62 3.003 -0.424 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE B 62 2.343 2.262 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE B 62 5.137 -0.532 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.935 2.839 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE B 62 6.726 0.040 -3.532 1.00 0.00 H new ATOM 0 HZ PHE B 62 6.129 1.727 -1.841 1.00 0.00 H new ATOM 2450 N GLY B 63 0.585 2.957 -6.178 1.00 0.00 N ATOM 2451 CA GLY B 63 -0.100 4.070 -5.546 1.00 0.00 C ATOM 2452 C GLY B 63 -0.501 3.721 -4.126 1.00 0.00 C ATOM 2453 O GLY B 63 -0.877 2.581 -3.855 1.00 0.00 O ATOM 0 H GLY B 63 -0.025 2.310 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY B 63 0.549 4.946 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.986 4.333 -6.124 1.00 0.00 H new ATOM 2457 N SER B 64 -0.409 4.679 -3.207 1.00 0.00 N ATOM 2458 CA SER B 64 -0.756 4.406 -1.816 1.00 0.00 C ATOM 2459 C SER B 64 -1.413 5.602 -1.132 1.00 0.00 C ATOM 2460 O SER B 64 -1.077 6.758 -1.397 1.00 0.00 O ATOM 2461 CB SER B 64 0.490 3.989 -1.036 1.00 0.00 C ATOM 2462 OG SER B 64 1.067 2.815 -1.583 1.00 0.00 O ATOM 0 H SER B 64 -0.103 5.634 -3.395 1.00 0.00 H new ATOM 0 HA SER B 64 -1.482 3.593 -1.822 1.00 0.00 H new ATOM 0 HB2 SER B 64 1.220 4.798 -1.052 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.228 3.817 0.008 1.00 0.00 H new ATOM 0 HG SER B 64 1.964 3.018 -1.920 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.350 5.294 -0.237 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.075 6.303 0.525 1.00 0.00 C ATOM 2470 C TYR B 65 -3.518 5.705 1.859 1.00 0.00 C ATOM 2471 O TYR B 65 -4.086 4.615 1.896 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.288 6.800 -0.266 1.00 0.00 C ATOM 2473 CG TYR B 65 -5.009 7.962 0.381 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -5.633 7.824 1.614 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.063 9.202 -0.245 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -6.291 8.886 2.203 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.717 10.269 0.339 1.00 0.00 C ATOM 2478 CZ TYR B 65 -6.329 10.106 1.562 1.00 0.00 C ATOM 2479 OH TYR B 65 -6.984 11.165 2.146 1.00 0.00 O ATOM 0 H TYR B 65 -2.626 4.336 -0.021 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.420 7.154 0.711 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.962 7.097 -1.263 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.989 5.975 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -5.603 6.871 2.121 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -4.585 9.333 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -6.773 8.761 3.161 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.748 11.226 -0.161 1.00 0.00 H new ATOM 0 HH TYR B 65 -6.406 11.956 2.131 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.231 6.408 2.952 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.572 5.923 4.291 1.00 0.00 C ATOM 2491 C VAL B 66 -3.641 7.075 5.293 1.00 0.00 C ATOM 2492 O VAL B 66 -3.215 8.183 4.997 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.508 4.915 4.784 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.881 4.327 6.136 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.294 3.808 3.763 1.00 0.00 C ATOM 0 H VAL B 66 -2.764 7.315 2.939 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.547 5.441 4.224 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.572 5.461 4.903 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -2.111 3.623 6.452 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -2.964 5.128 6.871 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.836 3.808 6.056 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.541 3.112 4.133 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.232 3.276 3.601 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.956 4.241 2.822 1.00 0.00 H new ATOM 2505 N THR B 67 -4.168 6.795 6.484 1.00 0.00 N ATOM 2506 CA THR B 67 -4.272 7.795 7.543 1.00 0.00 C ATOM 2507 C THR B 67 -3.581 7.277 8.802 1.00 0.00 C ATOM 2508 O THR B 67 -3.632 6.082 9.094 1.00 0.00 O ATOM 2509 CB THR B 67 -5.741 8.116 7.831 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.369 8.654 6.680 1.00 0.00 O ATOM 2511 CG2 THR B 67 -5.935 9.101 8.962 1.00 0.00 C ATOM 0 H THR B 67 -4.532 5.877 6.740 1.00 0.00 H new ATOM 0 HA THR B 67 -3.781 8.713 7.219 1.00 0.00 H new ATOM 0 HB THR B 67 -6.190 7.166 8.123 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.307 8.852 6.882 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.000 9.281 9.109 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.506 8.693 9.877 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.439 10.040 8.716 1.00 0.00 H new ATOM 2519 N HIS B 68 -2.902 8.164 9.525 1.00 0.00 N ATOM 2520 CA HIS B 68 -2.172 7.753 10.720 1.00 0.00 C ATOM 2521 C HIS B 68 -1.858 8.934 11.635 1.00 0.00 C ATOM 2522 O HIS B 68 -1.645 10.055 11.175 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.876 7.082 10.288 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.048 7.967 9.415 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.747 8.978 9.911 1.00 0.00 N ATOM 2526 CD2 HIS B 68 0.063 8.028 8.068 1.00 0.00 C ATOM 2527 CE1 HIS B 68 1.311 9.623 8.907 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.915 9.065 7.779 1.00 0.00 N ATOM 0 H HIS B 68 -2.842 9.159 9.308 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.798 7.063 11.286 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -0.301 6.804 11.171 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -1.106 6.160 9.754 1.00 0.00 H new ATOM 0 HD1 HIS B 68 0.879 9.194 10.899 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.427 7.382 7.354 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.982 10.464 8.994 1.00 0.00 H new ATOM 2537 N GLU B 69 -1.821 8.661 12.936 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.524 9.682 13.937 1.00 0.00 C ATOM 2539 C GLU B 69 -0.107 10.227 13.767 1.00 0.00 C ATOM 2540 O GLU B 69 0.772 9.550 13.234 1.00 0.00 O ATOM 2541 CB GLU B 69 -1.682 9.104 15.342 1.00 0.00 C ATOM 2542 CG GLU B 69 -0.728 7.958 15.627 1.00 0.00 C ATOM 2543 CD GLU B 69 -0.834 7.450 17.051 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -0.595 8.243 17.985 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -1.158 6.256 17.232 1.00 0.00 O ATOM 0 H GLU B 69 -1.994 7.734 13.324 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.229 10.501 13.797 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -1.519 9.895 16.074 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -2.707 8.756 15.472 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -0.933 7.139 14.937 1.00 0.00 H new ATOM 0 HG3 GLU B 69 0.294 8.286 15.437 1.00 0.00 H new ATOM 2552 N THR B 70 0.105 11.458 14.222 1.00 0.00 N ATOM 2553 CA THR B 70 1.410 12.107 14.125 1.00 0.00 C ATOM 2554 C THR B 70 2.474 11.358 14.927 1.00 0.00 C ATOM 2555 O THR B 70 2.165 10.660 15.892 1.00 0.00 O ATOM 2556 CB THR B 70 1.322 13.556 14.608 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.855 13.612 15.945 1.00 0.00 O ATOM 2558 CG2 THR B 70 0.406 14.414 13.765 1.00 0.00 C ATOM 0 H THR B 70 -0.615 12.030 14.664 1.00 0.00 H new ATOM 0 HA THR B 70 1.705 12.092 13.076 1.00 0.00 H new ATOM 0 HB THR B 70 2.336 13.949 14.527 1.00 0.00 H new ATOM 0 HG1 THR B 70 0.807 14.547 16.236 1.00 0.00 H new ATOM 0 HG21 THR B 70 0.390 15.429 14.163 1.00 0.00 H new ATOM 0 HG22 THR B 70 0.769 14.433 12.737 1.00 0.00 H new ATOM 0 HG23 THR B 70 -0.602 14.000 13.786 1.00 0.00 H new ATOM 2566 N LYS B 71 3.729 11.513 14.511 1.00 0.00 N ATOM 2567 CA LYS B 71 4.856 10.859 15.174 1.00 0.00 C ATOM 2568 C LYS B 71 4.753 9.345 15.053 1.00 0.00 C ATOM 2569 O LYS B 71 5.083 8.613 15.986 1.00 0.00 O ATOM 2570 CB LYS B 71 4.924 11.260 16.652 1.00 0.00 C ATOM 2571 CG LYS B 71 5.144 12.748 16.887 1.00 0.00 C ATOM 2572 CD LYS B 71 6.615 13.139 16.820 1.00 0.00 C ATOM 2573 CE LYS B 71 7.215 12.891 15.445 1.00 0.00 C ATOM 2574 NZ LYS B 71 8.584 13.461 15.327 1.00 0.00 N ATOM 0 H LYS B 71 3.993 12.090 13.712 1.00 0.00 H new ATOM 0 HA LYS B 71 5.769 11.187 14.678 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.997 10.960 17.141 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.731 10.705 17.130 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.586 13.316 16.143 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.743 13.021 17.863 1.00 0.00 H new ATOM 0 HD2 LYS B 71 6.721 14.193 17.075 1.00 0.00 H new ATOM 0 HD3 LYS B 71 7.174 12.573 17.565 1.00 0.00 H new ATOM 0 HE2 LYS B 71 7.250 11.819 15.252 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.571 13.331 14.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 8.958 13.271 14.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 8.547 14.488 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 9.205 13.023 16.037 1.00 0.00 H new ATOM 2588 N HIS B 72 4.305 8.887 13.892 1.00 0.00 N ATOM 2589 CA HIS B 72 4.164 7.462 13.624 1.00 0.00 C ATOM 2590 C HIS B 72 4.046 7.216 12.126 1.00 0.00 C ATOM 2591 O HIS B 72 2.991 6.829 11.623 1.00 0.00 O ATOM 2592 CB HIS B 72 2.944 6.896 14.356 1.00 0.00 C ATOM 2593 CG HIS B 72 3.113 6.842 15.845 1.00 0.00 C ATOM 2594 ND1 HIS B 72 4.074 6.070 16.464 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.447 7.476 16.841 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.992 6.231 17.773 1.00 0.00 C ATOM 2597 NE2 HIS B 72 3.013 7.080 18.025 1.00 0.00 N ATOM 0 H HIS B 72 4.031 9.488 13.114 1.00 0.00 H new ATOM 0 HA HIS B 72 5.053 6.951 13.992 1.00 0.00 H new ATOM 0 HB2 HIS B 72 2.072 7.506 14.119 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.741 5.892 13.984 1.00 0.00 H new ATOM 0 HD2 HIS B 72 1.624 8.165 16.724 1.00 0.00 H new ATOM 0 HE1 HIS B 72 4.618 5.751 18.510 1.00 0.00 H new ATOM 0 HE2 HIS B 72 2.724 7.391 18.952 1.00 0.00 H new ATOM 2606 N PHE B 73 5.150 7.449 11.422 1.00 0.00 N ATOM 2607 CA PHE B 73 5.202 7.265 9.978 1.00 0.00 C ATOM 2608 C PHE B 73 6.606 7.530 9.451 1.00 0.00 C ATOM 2609 O PHE B 73 7.317 8.395 9.960 1.00 0.00 O ATOM 2610 CB PHE B 73 4.187 8.180 9.284 1.00 0.00 C ATOM 2611 CG PHE B 73 4.267 8.161 7.780 1.00 0.00 C ATOM 2612 CD1 PHE B 73 5.332 8.760 7.121 1.00 0.00 C ATOM 2613 CD2 PHE B 73 3.283 7.541 7.027 1.00 0.00 C ATOM 2614 CE1 PHE B 73 5.409 8.743 5.740 1.00 0.00 C ATOM 2615 CE2 PHE B 73 3.356 7.519 5.647 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.421 8.121 5.003 1.00 0.00 C ATOM 0 H PHE B 73 6.027 7.768 11.834 1.00 0.00 H new ATOM 0 HA PHE B 73 4.944 6.230 9.756 1.00 0.00 H new ATOM 0 HB2 PHE B 73 3.182 7.885 9.587 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.338 9.202 9.632 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.109 9.245 7.693 1.00 0.00 H new ATOM 0 HD2 PHE B 73 2.449 7.069 7.525 1.00 0.00 H new ATOM 0 HE1 PHE B 73 6.241 9.216 5.239 1.00 0.00 H new ATOM 0 HE2 PHE B 73 2.582 7.032 5.072 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.480 8.105 3.925 1.00 0.00 H new ATOM 2626 N ILE B 74 7.005 6.779 8.431 1.00 0.00 N ATOM 2627 CA ILE B 74 8.327 6.945 7.848 1.00 0.00 C ATOM 2628 C ILE B 74 8.426 6.295 6.472 1.00 0.00 C ATOM 2629 O ILE B 74 8.154 5.104 6.309 1.00 0.00 O ATOM 2630 CB ILE B 74 9.419 6.350 8.761 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.811 6.642 8.192 1.00 0.00 C ATOM 2632 CG2 ILE B 74 9.216 4.850 8.923 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.937 6.096 9.043 1.00 0.00 C ATOM 0 H ILE B 74 6.435 6.054 7.994 1.00 0.00 H new ATOM 0 HA ILE B 74 8.485 8.018 7.743 1.00 0.00 H new ATOM 0 HB ILE B 74 9.342 6.818 9.742 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.883 6.216 7.191 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.934 7.720 8.089 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.994 4.445 9.570 1.00 0.00 H new ATOM 0 HG22 ILE B 74 8.239 4.661 9.369 1.00 0.00 H new ATOM 0 HG23 ILE B 74 9.269 4.368 7.947 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.894 6.339 8.580 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.891 6.541 10.037 1.00 0.00 H new ATOM 0 HD13 ILE B 74 11.839 5.014 9.125 1.00 0.00 H new ATOM 2645 N TYR B 75 8.844 7.088 5.493 1.00 0.00 N ATOM 2646 CA TYR B 75 9.018 6.609 4.129 1.00 0.00 C ATOM 2647 C TYR B 75 10.478 6.747 3.735 1.00 0.00 C ATOM 2648 O TYR B 75 11.111 7.762 4.032 1.00 0.00 O ATOM 2649 CB TYR B 75 8.136 7.396 3.162 1.00 0.00 C ATOM 2650 CG TYR B 75 8.249 6.933 1.726 1.00 0.00 C ATOM 2651 CD1 TYR B 75 7.949 5.624 1.373 1.00 0.00 C ATOM 2652 CD2 TYR B 75 8.653 7.808 0.724 1.00 0.00 C ATOM 2653 CE1 TYR B 75 8.050 5.197 0.061 1.00 0.00 C ATOM 2654 CE2 TYR B 75 8.756 7.389 -0.589 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.454 6.083 -0.915 1.00 0.00 C ATOM 2656 OH TYR B 75 8.554 5.663 -2.222 1.00 0.00 O ATOM 0 H TYR B 75 9.070 8.074 5.621 1.00 0.00 H new ATOM 0 HA TYR B 75 8.722 5.561 4.080 1.00 0.00 H new ATOM 0 HB2 TYR B 75 7.097 7.313 3.481 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.403 8.451 3.217 1.00 0.00 H new ATOM 0 HD1 TYR B 75 7.632 4.928 2.135 1.00 0.00 H new ATOM 0 HD2 TYR B 75 8.890 8.831 0.976 1.00 0.00 H new ATOM 0 HE1 TYR B 75 7.814 4.175 -0.197 1.00 0.00 H new ATOM 0 HE2 TYR B 75 9.071 8.081 -1.356 1.00 0.00 H new ATOM 0 HH TYR B 75 9.265 6.164 -2.673 1.00 0.00 H new ATOM 2666 N PHE B 76 11.027 5.728 3.089 1.00 0.00 N ATOM 2667 CA PHE B 76 12.425 5.766 2.697 1.00 0.00 C ATOM 2668 C PHE B 76 12.776 4.614 1.765 1.00 0.00 C ATOM 2669 O PHE B 76 12.346 3.479 1.970 1.00 0.00 O ATOM 2670 CB PHE B 76 13.307 5.732 3.948 1.00 0.00 C ATOM 2671 CG PHE B 76 13.109 4.502 4.792 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.886 4.234 5.388 1.00 0.00 C ATOM 2673 CD2 PHE B 76 14.153 3.614 4.989 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.711 3.102 6.161 1.00 0.00 C ATOM 2675 CE2 PHE B 76 13.983 2.481 5.760 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.760 2.224 6.347 1.00 0.00 C ATOM 0 H PHE B 76 10.531 4.875 2.829 1.00 0.00 H new ATOM 0 HA PHE B 76 12.604 6.692 2.151 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.353 5.791 3.647 1.00 0.00 H new ATOM 0 HB3 PHE B 76 13.099 6.615 4.553 1.00 0.00 H new ATOM 0 HD1 PHE B 76 11.062 4.917 5.247 1.00 0.00 H new ATOM 0 HD2 PHE B 76 15.113 3.810 4.534 1.00 0.00 H new ATOM 0 HE1 PHE B 76 10.753 2.904 6.620 1.00 0.00 H new ATOM 0 HE2 PHE B 76 14.806 1.797 5.904 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.624 1.338 6.950 1.00 0.00 H new ATOM 2686 N TYR B 77 13.562 4.922 0.740 1.00 0.00 N ATOM 2687 CA TYR B 77 13.983 3.922 -0.232 1.00 0.00 C ATOM 2688 C TYR B 77 15.122 3.076 0.321 1.00 0.00 C ATOM 2689 O TYR B 77 15.943 3.557 1.099 1.00 0.00 O ATOM 2690 CB TYR B 77 14.403 4.596 -1.542 1.00 0.00 C ATOM 2691 CG TYR B 77 13.266 5.304 -2.247 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.595 6.362 -1.645 1.00 0.00 C ATOM 2693 CD2 TYR B 77 12.858 4.908 -3.515 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.553 7.004 -2.285 1.00 0.00 C ATOM 2695 CE2 TYR B 77 11.816 5.546 -4.162 1.00 0.00 C ATOM 2696 CZ TYR B 77 11.168 6.593 -3.542 1.00 0.00 C ATOM 2697 OH TYR B 77 10.130 7.231 -4.181 1.00 0.00 O ATOM 0 H TYR B 77 13.921 5.860 0.561 1.00 0.00 H new ATOM 0 HA TYR B 77 13.138 3.264 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR B 77 15.195 5.315 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR B 77 14.823 3.844 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.894 6.688 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR B 77 13.363 4.088 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR B 77 11.043 7.824 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR B 77 11.511 5.226 -5.148 1.00 0.00 H new ATOM 0 HH TYR B 77 9.985 6.821 -5.059 1.00 0.00 H new ATOM 2707 N LEU B 78 15.157 1.809 -0.076 1.00 0.00 N ATOM 2708 CA LEU B 78 16.188 0.888 0.388 1.00 0.00 C ATOM 2709 C LEU B 78 16.270 -0.341 -0.510 1.00 0.00 C ATOM 2710 O LEU B 78 15.257 -0.813 -1.026 1.00 0.00 O ATOM 2711 CB LEU B 78 15.901 0.452 1.826 1.00 0.00 C ATOM 2712 CG LEU B 78 16.945 -0.480 2.440 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.322 0.167 2.408 1.00 0.00 C ATOM 2714 CD2 LEU B 78 16.556 -0.846 3.866 1.00 0.00 C ATOM 0 H LEU B 78 14.482 1.396 -0.719 1.00 0.00 H new ATOM 0 HA LEU B 78 17.144 1.411 0.351 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.819 1.342 2.450 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.932 -0.046 1.852 1.00 0.00 H new ATOM 0 HG LEU B 78 16.984 -1.395 1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 78 19.053 -0.511 2.849 1.00 0.00 H new ATOM 0 HD12 LEU B 78 18.601 0.379 1.376 1.00 0.00 H new ATOM 0 HD13 LEU B 78 18.300 1.097 2.976 1.00 0.00 H new ATOM 0 HD21 LEU B 78 17.309 -1.510 4.290 1.00 0.00 H new ATOM 0 HD22 LEU B 78 16.490 0.060 4.469 1.00 0.00 H new ATOM 0 HD23 LEU B 78 15.589 -1.350 3.862 1.00 0.00 H new ATOM 2726 N GLY B 79 17.484 -0.852 -0.693 1.00 0.00 N ATOM 2727 CA GLY B 79 17.678 -2.024 -1.528 1.00 0.00 C ATOM 2728 C GLY B 79 17.108 -1.840 -2.919 1.00 0.00 C ATOM 2729 O GLY B 79 16.520 -2.761 -3.486 1.00 0.00 O ATOM 0 H GLY B 79 18.336 -0.476 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.743 -2.243 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.207 -2.886 -1.056 1.00 0.00 H new ATOM 2733 N GLN B 80 17.282 -0.644 -3.464 1.00 0.00 N ATOM 2734 CA GLN B 80 16.784 -0.328 -4.795 1.00 0.00 C ATOM 2735 C GLN B 80 15.269 -0.499 -4.867 1.00 0.00 C ATOM 2736 O GLN B 80 14.735 -0.932 -5.888 1.00 0.00 O ATOM 2737 CB GLN B 80 17.460 -1.218 -5.838 1.00 0.00 C ATOM 2738 CG GLN B 80 18.974 -1.082 -5.871 1.00 0.00 C ATOM 2739 CD GLN B 80 19.427 0.330 -6.196 1.00 0.00 C ATOM 2740 OE1 GLN B 80 19.125 1.275 -5.470 1.00 0.00 O ATOM 2741 NE2 GLN B 80 20.157 0.475 -7.295 1.00 0.00 N ATOM 0 H GLN B 80 17.766 0.126 -3.003 1.00 0.00 H new ATOM 0 HA GLN B 80 17.022 0.714 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN B 80 17.202 -2.258 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN B 80 17.061 -0.975 -6.823 1.00 0.00 H new ATOM 0 HG2 GLN B 80 19.383 -1.377 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN B 80 19.381 -1.770 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN B 80 20.384 -0.338 -7.868 1.00 0.00 H new ATOM 0 HE22 GLN B 80 20.491 1.399 -7.567 1.00 0.00 H new ATOM 2750 N VAL B 81 14.583 -0.147 -3.782 1.00 0.00 N ATOM 2751 CA VAL B 81 13.128 -0.256 -3.723 1.00 0.00 C ATOM 2752 C VAL B 81 12.558 0.637 -2.625 1.00 0.00 C ATOM 2753 O VAL B 81 13.096 0.699 -1.520 1.00 0.00 O ATOM 2754 CB VAL B 81 12.670 -1.709 -3.477 1.00 0.00 C ATOM 2755 CG1 VAL B 81 13.084 -2.609 -4.631 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.228 -2.234 -2.161 1.00 0.00 C ATOM 0 H VAL B 81 15.012 0.216 -2.931 1.00 0.00 H new ATOM 0 HA VAL B 81 12.751 0.070 -4.693 1.00 0.00 H new ATOM 0 HB VAL B 81 11.582 -1.715 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.750 -3.628 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.629 -2.249 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL B 81 14.169 -2.595 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL B 81 12.893 -3.260 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.317 -2.209 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL B 81 12.874 -1.610 -1.341 1.00 0.00 H new ATOM 2766 N ALA B 82 11.467 1.326 -2.937 1.00 0.00 N ATOM 2767 CA ALA B 82 10.825 2.215 -1.976 1.00 0.00 C ATOM 2768 C ALA B 82 10.174 1.421 -0.852 1.00 0.00 C ATOM 2769 O ALA B 82 9.526 0.402 -1.096 1.00 0.00 O ATOM 2770 CB ALA B 82 9.795 3.090 -2.673 1.00 0.00 C ATOM 0 H ALA B 82 11.008 1.286 -3.847 1.00 0.00 H new ATOM 0 HA ALA B 82 11.591 2.856 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA B 82 9.324 3.749 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA B 82 10.286 3.690 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA B 82 9.036 2.460 -3.136 1.00 0.00 H new ATOM 2776 N ILE B 83 10.351 1.891 0.379 1.00 0.00 N ATOM 2777 CA ILE B 83 9.784 1.224 1.543 1.00 0.00 C ATOM 2778 C ILE B 83 8.980 2.202 2.396 1.00 0.00 C ATOM 2779 O ILE B 83 9.343 3.371 2.525 1.00 0.00 O ATOM 2780 CB ILE B 83 10.880 0.574 2.412 1.00 0.00 C ATOM 2781 CG1 ILE B 83 11.678 -0.439 1.590 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.267 -0.097 3.636 1.00 0.00 C ATOM 2783 CD1 ILE B 83 12.781 -1.121 2.371 1.00 0.00 C ATOM 0 H ILE B 83 10.884 2.733 0.595 1.00 0.00 H new ATOM 0 HA ILE B 83 9.122 0.442 1.170 1.00 0.00 H new ATOM 0 HB ILE B 83 11.558 1.356 2.754 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.997 -1.197 1.203 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.114 0.068 0.729 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.056 -0.550 4.236 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.739 0.647 4.232 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.567 -0.869 3.316 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.303 -1.825 1.723 1.00 0.00 H new ATOM 0 HD12 ILE B 83 13.485 -0.373 2.736 1.00 0.00 H new ATOM 0 HD13 ILE B 83 12.350 -1.657 3.217 1.00 0.00 H new ATOM 2795 N LEU B 84 7.890 1.713 2.971 1.00 0.00 N ATOM 2796 CA LEU B 84 7.029 2.539 3.811 1.00 0.00 C ATOM 2797 C LEU B 84 6.560 1.759 5.032 1.00 0.00 C ATOM 2798 O LEU B 84 6.252 0.570 4.943 1.00 0.00 O ATOM 2799 CB LEU B 84 5.822 3.031 3.010 1.00 0.00 C ATOM 2800 CG LEU B 84 4.841 3.911 3.790 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.527 5.181 4.274 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.632 4.248 2.929 1.00 0.00 C ATOM 0 H LEU B 84 7.579 0.747 2.872 1.00 0.00 H new ATOM 0 HA LEU B 84 7.606 3.400 4.149 1.00 0.00 H new ATOM 0 HB2 LEU B 84 6.182 3.591 2.147 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.283 2.165 2.626 1.00 0.00 H new ATOM 0 HG LEU B 84 4.499 3.356 4.663 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.813 5.792 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 84 6.360 4.919 4.926 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.900 5.742 3.417 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.944 4.874 3.497 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.958 4.784 2.038 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.127 3.328 2.635 1.00 0.00 H new ATOM 2814 N LEU B 85 6.508 2.435 6.176 1.00 0.00 N ATOM 2815 CA LEU B 85 6.078 1.808 7.419 1.00 0.00 C ATOM 2816 C LEU B 85 5.494 2.844 8.373 1.00 0.00 C ATOM 2817 O LEU B 85 6.018 3.952 8.496 1.00 0.00 O ATOM 2818 CB LEU B 85 7.251 1.088 8.088 1.00 0.00 C ATOM 2819 CG LEU B 85 6.903 0.345 9.378 1.00 0.00 C ATOM 2820 CD1 LEU B 85 5.877 -0.744 9.108 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.157 -0.243 10.009 1.00 0.00 C ATOM 0 H LEU B 85 6.759 3.419 6.267 1.00 0.00 H new ATOM 0 HA LEU B 85 5.304 1.079 7.180 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.673 0.376 7.379 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.029 1.819 8.306 1.00 0.00 H new ATOM 0 HG LEU B 85 6.468 1.057 10.079 1.00 0.00 H new ATOM 0 HD11 LEU B 85 5.642 -1.261 10.038 1.00 0.00 H new ATOM 0 HD12 LEU B 85 4.969 -0.296 8.703 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.283 -1.456 8.389 1.00 0.00 H new ATOM 0 HD21 LEU B 85 7.891 -0.768 10.926 1.00 0.00 H new ATOM 0 HD22 LEU B 85 8.622 -0.941 9.313 1.00 0.00 H new ATOM 0 HD23 LEU B 85 8.858 0.559 10.241 1.00 0.00 H new ATOM 2833 N PHE B 86 4.399 2.481 9.041 1.00 0.00 N ATOM 2834 CA PHE B 86 3.745 3.391 9.976 1.00 0.00 C ATOM 2835 C PHE B 86 2.553 2.725 10.656 1.00 0.00 C ATOM 2836 O PHE B 86 1.710 2.120 9.997 1.00 0.00 O ATOM 2837 CB PHE B 86 3.289 4.657 9.248 1.00 0.00 C ATOM 2838 CG PHE B 86 2.257 4.418 8.185 1.00 0.00 C ATOM 2839 CD1 PHE B 86 2.545 3.634 7.079 1.00 0.00 C ATOM 2840 CD2 PHE B 86 1.000 4.986 8.289 1.00 0.00 C ATOM 2841 CE1 PHE B 86 1.597 3.423 6.098 1.00 0.00 C ATOM 2842 CE2 PHE B 86 0.048 4.778 7.312 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.347 3.996 6.216 1.00 0.00 C ATOM 0 H PHE B 86 3.950 1.569 8.952 1.00 0.00 H new ATOM 0 HA PHE B 86 4.469 3.658 10.745 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.886 5.358 9.979 1.00 0.00 H new ATOM 0 HB3 PHE B 86 4.158 5.135 8.794 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.522 3.183 6.984 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.761 5.600 9.145 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.833 2.811 5.240 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -0.930 5.227 7.405 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.397 3.832 5.450 1.00 0.00 H new ATOM 2853 N LYS B 87 2.489 2.839 11.983 1.00 0.00 N ATOM 2854 CA LYS B 87 1.399 2.239 12.744 1.00 0.00 C ATOM 2855 C LYS B 87 0.241 3.209 12.938 1.00 0.00 C ATOM 2856 O LYS B 87 0.434 4.420 13.035 1.00 0.00 O ATOM 2857 CB LYS B 87 1.885 1.740 14.104 1.00 0.00 C ATOM 2858 CG LYS B 87 2.393 2.838 15.021 1.00 0.00 C ATOM 2859 CD LYS B 87 2.702 2.298 16.407 1.00 0.00 C ATOM 2860 CE LYS B 87 3.251 3.380 17.319 1.00 0.00 C ATOM 2861 NZ LYS B 87 3.538 2.864 18.686 1.00 0.00 N ATOM 0 H LYS B 87 3.176 3.339 12.548 1.00 0.00 H new ATOM 0 HA LYS B 87 1.040 1.391 12.161 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.068 1.216 14.600 1.00 0.00 H new ATOM 0 HB3 LYS B 87 2.682 1.013 13.949 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.290 3.286 14.594 1.00 0.00 H new ATOM 0 HG3 LYS B 87 1.646 3.629 15.094 1.00 0.00 H new ATOM 0 HD2 LYS B 87 1.796 1.878 16.844 1.00 0.00 H new ATOM 0 HD3 LYS B 87 3.425 1.486 16.329 1.00 0.00 H new ATOM 0 HE2 LYS B 87 4.164 3.790 16.887 1.00 0.00 H new ATOM 0 HE3 LYS B 87 2.534 4.198 17.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 3.648 3.663 19.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 2.751 2.262 19.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 4.416 2.307 18.669 1.00 0.00 H new ATOM 2875 N SER B 88 -0.966 2.655 13.005 1.00 0.00 N ATOM 2876 CA SER B 88 -2.169 3.449 13.198 1.00 0.00 C ATOM 2877 C SER B 88 -2.884 3.040 14.482 1.00 0.00 C ATOM 2878 O SER B 88 -3.132 1.859 14.717 1.00 0.00 O ATOM 2879 CB SER B 88 -3.109 3.284 12.004 1.00 0.00 C ATOM 2880 OG SER B 88 -4.285 4.057 12.167 1.00 0.00 O ATOM 0 H SER B 88 -1.134 1.652 12.928 1.00 0.00 H new ATOM 0 HA SER B 88 -1.878 4.496 13.280 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.597 3.585 11.090 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.374 2.233 11.889 1.00 0.00 H new ATOM 0 HG SER B 88 -4.868 3.934 11.389 1.00 0.00 H new ATOM 2886 N GLY B 89 -3.209 4.025 15.311 1.00 0.00 N ATOM 2887 CA GLY B 89 -3.892 3.747 16.561 1.00 0.00 C ATOM 2888 C GLY B 89 -5.235 3.074 16.354 1.00 0.00 C ATOM 2889 O GLY B 89 -5.436 1.972 16.904 1.00 0.00 O ATOM 2890 OXT GLY B 89 -6.084 3.649 15.642 1.00 0.00 O ATOM 0 H GLY B 89 -3.012 5.011 15.140 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -3.262 3.109 17.181 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -4.037 4.679 17.107 1.00 0.00 H new ATOM 2895 N MET C 1 -9.615 -9.377 13.316 1.00 0.00 N ATOM 2896 CA MET C 1 -8.325 -8.795 12.860 1.00 0.00 C ATOM 2897 C MET C 1 -7.497 -9.822 12.093 1.00 0.00 C ATOM 2898 O MET C 1 -7.351 -10.965 12.527 1.00 0.00 O ATOM 2899 CB MET C 1 -7.551 -8.307 14.087 1.00 0.00 C ATOM 2900 CG MET C 1 -8.281 -7.236 14.882 1.00 0.00 C ATOM 2901 SD MET C 1 -8.586 -5.741 13.920 1.00 0.00 S ATOM 2902 CE MET C 1 -6.912 -5.255 13.510 1.00 0.00 C ATOM 0 H1 MET C 1 -10.403 -8.809 12.945 1.00 0.00 H new ATOM 0 H2 MET C 1 -9.698 -10.353 12.967 1.00 0.00 H new ATOM 0 H3 MET C 1 -9.648 -9.377 14.355 1.00 0.00 H new ATOM 0 HA MET C 1 -8.526 -7.964 12.185 1.00 0.00 H new ATOM 0 HB2 MET C 1 -7.348 -9.156 14.739 1.00 0.00 H new ATOM 0 HB3 MET C 1 -6.586 -7.914 13.765 1.00 0.00 H new ATOM 0 HG2 MET C 1 -9.231 -7.636 15.235 1.00 0.00 H new ATOM 0 HG3 MET C 1 -7.695 -6.982 15.765 1.00 0.00 H new ATOM 0 HE1 MET C 1 -6.804 -4.178 13.637 1.00 0.00 H new ATOM 0 HE2 MET C 1 -6.212 -5.770 14.168 1.00 0.00 H new ATOM 0 HE3 MET C 1 -6.699 -5.521 12.475 1.00 0.00 H new ATOM 2914 N LYS C 2 -6.953 -9.405 10.955 1.00 0.00 N ATOM 2915 CA LYS C 2 -6.136 -10.285 10.126 1.00 0.00 C ATOM 2916 C LYS C 2 -5.223 -9.473 9.216 1.00 0.00 C ATOM 2917 O LYS C 2 -5.670 -8.546 8.539 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.016 -11.211 9.283 1.00 0.00 C ATOM 2919 CG LYS C 2 -7.913 -12.125 10.105 1.00 0.00 C ATOM 2920 CD LYS C 2 -8.786 -13.013 9.228 1.00 0.00 C ATOM 2921 CE LYS C 2 -7.963 -13.997 8.405 1.00 0.00 C ATOM 2922 NZ LYS C 2 -7.245 -13.336 7.281 1.00 0.00 N ATOM 0 H LYS C 2 -7.063 -8.461 10.585 1.00 0.00 H new ATOM 0 HA LYS C 2 -5.522 -10.893 10.790 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -7.638 -10.605 8.624 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -6.377 -11.822 8.646 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -7.297 -12.749 10.753 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -8.548 -11.521 10.754 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -9.487 -13.564 9.855 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -9.379 -12.389 8.559 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -7.240 -14.493 9.053 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -8.619 -14.772 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -7.370 -13.895 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -7.630 -12.381 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -6.232 -13.270 7.507 1.00 0.00 H new ATOM 2936 N ASP C 3 -3.941 -9.819 9.210 1.00 0.00 N ATOM 2937 CA ASP C 3 -2.964 -9.116 8.391 1.00 0.00 C ATOM 2938 C ASP C 3 -3.065 -9.521 6.922 1.00 0.00 C ATOM 2939 O ASP C 3 -2.891 -10.690 6.578 1.00 0.00 O ATOM 2940 CB ASP C 3 -1.548 -9.383 8.907 1.00 0.00 C ATOM 2941 CG ASP C 3 -1.224 -10.862 8.985 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -2.115 -11.685 8.683 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -0.079 -11.197 9.354 1.00 0.00 O ATOM 0 H ASP C 3 -3.555 -10.583 9.764 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.181 -8.050 8.463 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -0.828 -8.891 8.252 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -1.436 -8.938 9.896 1.00 0.00 H new ATOM 2948 N THR C 4 -3.331 -8.544 6.056 1.00 0.00 N ATOM 2949 CA THR C 4 -3.432 -8.804 4.631 1.00 0.00 C ATOM 2950 C THR C 4 -2.044 -8.884 4.010 1.00 0.00 C ATOM 2951 O THR C 4 -1.195 -8.027 4.256 1.00 0.00 O ATOM 2952 CB THR C 4 -4.245 -7.708 3.943 1.00 0.00 C ATOM 2953 OG1 THR C 4 -4.446 -8.014 2.575 1.00 0.00 O ATOM 2954 CG2 THR C 4 -3.589 -6.347 4.014 1.00 0.00 C ATOM 0 H THR C 4 -3.479 -7.570 6.321 1.00 0.00 H new ATOM 0 HA THR C 4 -3.940 -9.758 4.491 1.00 0.00 H new ATOM 0 HB THR C 4 -5.192 -7.670 4.482 1.00 0.00 H new ATOM 0 HG1 THR C 4 -4.855 -7.246 2.125 1.00 0.00 H new ATOM 0 HG21 THR C 4 -4.216 -5.614 3.507 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.463 -6.058 5.057 1.00 0.00 H new ATOM 0 HG23 THR C 4 -2.614 -6.387 3.529 1.00 0.00 H new ATOM 2962 N GLY C 5 -1.820 -9.909 3.204 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.534 -10.074 2.557 1.00 0.00 C ATOM 2964 C GLY C 5 -0.669 -10.163 1.055 1.00 0.00 C ATOM 2965 O GLY C 5 -1.534 -10.878 0.549 1.00 0.00 O ATOM 0 H GLY C 5 -2.506 -10.631 2.985 1.00 0.00 H new ATOM 0 HA2 GLY C 5 0.113 -9.235 2.815 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.051 -10.976 2.933 1.00 0.00 H new ATOM 2969 N ILE C 6 0.174 -9.434 0.333 1.00 0.00 N ATOM 2970 CA ILE C 6 0.111 -9.450 -1.120 1.00 0.00 C ATOM 2971 C ILE C 6 1.453 -9.122 -1.759 1.00 0.00 C ATOM 2972 O ILE C 6 2.383 -8.656 -1.100 1.00 0.00 O ATOM 2973 CB ILE C 6 -0.948 -8.470 -1.657 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -0.589 -7.034 -1.275 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.327 -8.837 -1.128 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -1.469 -6.004 -1.943 1.00 0.00 C ATOM 0 H ILE C 6 0.899 -8.833 0.725 1.00 0.00 H new ATOM 0 HA ILE C 6 -0.169 -10.468 -1.392 1.00 0.00 H new ATOM 0 HB ILE C 6 -0.967 -8.541 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -0.666 -6.922 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE C 6 0.450 -6.843 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -3.065 -8.135 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.583 -9.847 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.323 -8.793 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -1.163 -5.006 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -1.373 -6.091 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -2.507 -6.171 -1.656 1.00 0.00 H new ATOM 2988 N GLN C 7 1.526 -9.379 -3.058 1.00 0.00 N ATOM 2989 CA GLN C 7 2.730 -9.138 -3.838 1.00 0.00 C ATOM 2990 C GLN C 7 2.374 -9.019 -5.316 1.00 0.00 C ATOM 2991 O GLN C 7 2.578 -9.952 -6.094 1.00 0.00 O ATOM 2992 CB GLN C 7 3.736 -10.272 -3.621 1.00 0.00 C ATOM 2993 CG GLN C 7 4.947 -10.206 -4.538 1.00 0.00 C ATOM 2994 CD GLN C 7 5.658 -8.870 -4.475 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.060 -7.824 -4.730 1.00 0.00 O ATOM 2996 NE2 GLN C 7 6.940 -8.899 -4.142 1.00 0.00 N ATOM 0 H GLN C 7 0.751 -9.761 -3.600 1.00 0.00 H new ATOM 0 HA GLN C 7 3.186 -8.204 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.075 -10.250 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN C 7 3.231 -11.226 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN C 7 5.646 -10.998 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN C 7 4.631 -10.397 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN C 7 7.394 -9.789 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN C 7 7.473 -8.031 -4.089 1.00 0.00 H new ATOM 3005 N VAL C 8 1.829 -7.870 -5.691 1.00 0.00 N ATOM 3006 CA VAL C 8 1.429 -7.629 -7.069 1.00 0.00 C ATOM 3007 C VAL C 8 2.645 -7.510 -7.981 1.00 0.00 C ATOM 3008 O VAL C 8 3.694 -7.011 -7.574 1.00 0.00 O ATOM 3009 CB VAL C 8 0.578 -6.350 -7.192 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.109 -6.149 -8.625 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.606 -6.405 -6.238 1.00 0.00 C ATOM 0 H VAL C 8 1.654 -7.089 -5.058 1.00 0.00 H new ATOM 0 HA VAL C 8 0.829 -8.485 -7.379 1.00 0.00 H new ATOM 0 HB VAL C 8 1.199 -5.497 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.490 -5.240 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL C 8 0.974 -6.060 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -0.494 -7.003 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.196 -5.494 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.227 -7.268 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -0.244 -6.492 -5.214 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.189 11.958 6.528 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.274 10.934 5.498 1.00 0.00 C ATOM 3224 C ASP D 3 -2.035 10.931 4.607 1.00 0.00 C ATOM 3225 O ASP D 3 -1.702 11.940 3.986 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.529 11.144 4.648 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.595 12.535 4.044 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -3.686 13.347 4.316 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -5.560 12.814 3.303 1.00 0.00 O ATOM 0 HA ASP D 3 -3.332 9.966 5.996 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.551 10.403 3.849 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -5.413 10.976 5.263 1.00 0.00 H new ATOM 3234 N THR D 4 -1.361 9.785 4.540 1.00 0.00 N ATOM 3235 CA THR D 4 -0.173 9.650 3.714 1.00 0.00 C ATOM 3236 C THR D 4 -0.558 9.521 2.246 1.00 0.00 C ATOM 3237 O THR D 4 -1.501 8.806 1.903 1.00 0.00 O ATOM 3238 CB THR D 4 0.637 8.428 4.147 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.864 8.366 3.434 1.00 0.00 O ATOM 3240 CG2 THR D 4 -0.098 7.121 3.930 1.00 0.00 C ATOM 0 H THR D 4 -1.620 8.940 5.049 1.00 0.00 H new ATOM 0 HA THR D 4 0.438 10.544 3.841 1.00 0.00 H new ATOM 0 HB THR D 4 0.811 8.551 5.216 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.609 8.530 4.050 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.530 6.292 4.257 1.00 0.00 H new ATOM 0 HG22 THR D 4 -1.024 7.124 4.506 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.330 7.005 2.871 1.00 0.00 H new ATOM 3248 N GLY D 5 0.177 10.207 1.382 1.00 0.00 N ATOM 3249 CA GLY D 5 -0.103 10.146 -0.038 1.00 0.00 C ATOM 3250 C GLY D 5 1.158 9.980 -0.857 1.00 0.00 C ATOM 3251 O GLY D 5 2.108 10.749 -0.707 1.00 0.00 O ATOM 0 H GLY D 5 0.962 10.805 1.639 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.778 9.314 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.618 11.056 -0.346 1.00 0.00 H new ATOM 3255 N ILE D 6 1.173 8.970 -1.721 1.00 0.00 N ATOM 3256 CA ILE D 6 2.337 8.705 -2.557 1.00 0.00 C ATOM 3257 C ILE D 6 1.960 7.909 -3.800 1.00 0.00 C ATOM 3258 O ILE D 6 0.838 7.417 -3.924 1.00 0.00 O ATOM 3259 CB ILE D 6 3.430 7.938 -1.784 1.00 0.00 C ATOM 3260 CG1 ILE D 6 2.912 6.571 -1.341 1.00 0.00 C ATOM 3261 CG2 ILE D 6 3.902 8.744 -0.584 1.00 0.00 C ATOM 3262 CD1 ILE D 6 3.976 5.705 -0.706 1.00 0.00 C ATOM 0 H ILE D 6 0.396 8.324 -1.860 1.00 0.00 H new ATOM 0 HA ILE D 6 2.729 9.677 -2.857 1.00 0.00 H new ATOM 0 HB ILE D 6 4.279 7.786 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE D 6 2.097 6.712 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.497 6.050 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE D 6 4.673 8.187 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.311 9.696 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.061 8.928 0.084 1.00 0.00 H new ATOM 0 HD11 ILE D 6 3.541 4.749 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE D 6 4.781 5.535 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE D 6 4.374 6.206 0.176 1.00 0.00 H new ATOM 3274 N GLN D 7 2.911 7.790 -4.718 1.00 0.00 N ATOM 3275 CA GLN D 7 2.696 7.058 -5.960 1.00 0.00 C ATOM 3276 C GLN D 7 4.037 6.710 -6.599 1.00 0.00 C ATOM 3277 O GLN D 7 4.557 7.461 -7.423 1.00 0.00 O ATOM 3278 CB GLN D 7 1.849 7.893 -6.925 1.00 0.00 C ATOM 3279 CG GLN D 7 1.319 7.112 -8.121 1.00 0.00 C ATOM 3280 CD GLN D 7 2.419 6.557 -9.003 1.00 0.00 C ATOM 3281 OE1 GLN D 7 3.239 7.301 -9.540 1.00 0.00 O ATOM 3282 NE2 GLN D 7 2.440 5.237 -9.157 1.00 0.00 N ATOM 0 H GLN D 7 3.843 8.193 -4.625 1.00 0.00 H new ATOM 0 HA GLN D 7 2.162 6.134 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.006 8.317 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN D 7 2.447 8.729 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN D 7 0.698 6.290 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN D 7 0.677 7.762 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN D 7 1.740 4.658 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN D 7 3.156 4.803 -9.739 1.00 0.00 H new ATOM 3291 N VAL D 8 4.592 5.572 -6.202 1.00 0.00 N ATOM 3292 CA VAL D 8 5.877 5.123 -6.722 1.00 0.00 C ATOM 3293 C VAL D 8 5.770 4.712 -8.188 1.00 0.00 C ATOM 3294 O VAL D 8 4.743 4.191 -8.623 1.00 0.00 O ATOM 3295 CB VAL D 8 6.428 3.939 -5.903 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.801 3.522 -6.410 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.485 4.295 -4.426 1.00 0.00 C ATOM 0 H VAL D 8 4.171 4.942 -5.520 1.00 0.00 H new ATOM 0 HA VAL D 8 6.564 5.965 -6.638 1.00 0.00 H new ATOM 0 HB VAL D 8 5.752 3.093 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL D 8 8.169 2.685 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.727 3.221 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.492 4.361 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL D 8 6.876 3.448 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL D 8 7.137 5.157 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.483 4.535 -4.071 1.00 0.00 H new ATOM 3307 N ASP D 9 6.839 4.956 -8.938 1.00 0.00 N ATOM 3308 CA ASP D 9 6.890 4.619 -10.358 1.00 0.00 C ATOM 3309 C ASP D 9 8.246 5.012 -10.943 1.00 0.00 C ATOM 3310 O ASP D 9 8.325 5.607 -12.018 1.00 0.00 O ATOM 3311 CB ASP D 9 5.762 5.328 -11.115 1.00 0.00 C ATOM 3312 CG ASP D 9 5.560 4.779 -12.517 1.00 0.00 C ATOM 3313 OD1 ASP D 9 6.504 4.852 -13.330 1.00 0.00 O ATOM 3314 OD2 ASP D 9 4.453 4.272 -12.799 1.00 0.00 O ATOM 0 H ASP D 9 7.691 5.390 -8.582 1.00 0.00 H new ATOM 0 HA ASP D 9 6.758 3.542 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP D 9 4.834 5.227 -10.553 1.00 0.00 H new ATOM 0 HB3 ASP D 9 5.984 6.393 -11.175 1.00 0.00 H new