USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 80:sc= -3.13! USER MOD Set 1.2: B 45 GLN : amide:sc= -10.1! C(o=-16!,f=-25!) USER MOD Set 1.3: B 85 LYS NZ :NH3+ -129:sc= -2.67! (180deg=-7.13!) USER MOD Set 2.1: A 15 THR OG1 : rot 148:sc= 0.374 USER MOD Set 2.2: B 15 THR OG1 : rot -153:sc= 0.345 USER MOD Set 3.1: A 45 GLN : amide:sc= -10.3! C(o=-13!,f=-20!) USER MOD Set 3.2: B 7 THR OG1 : rot 81:sc= -2.74! USER MOD Single : A 1 MET CE :methyl -148:sc= -2.37 (180deg=-3.5!) USER MOD Single : A 1 MET N :NH3+ -161:sc= -1.09 (180deg=-1.6) USER MOD Single : A 5 THR OG1 : rot 91:sc= -2.44 USER MOD Single : A 18 SER OG : rot 85:sc= 0.945 USER MOD Single : A 19 THR OG1 : rot -83:sc= 0.994 USER MOD Single : A 22 THR OG1 : rot -99:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0476) USER MOD Single : A 32 SER OG : rot 108:sc= 0.578 USER MOD Single : A 34 ASN : amide:sc= -4.75! C(o=-4.8!,f=-17!) USER MOD Single : A 36 ASN : amide:sc= -5.34! C(o=-5.3!,f=-8.9!) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= -0.0229 (180deg=-0.602) USER MOD Single : A 43 THR OG1 : rot -125:sc= -0.409 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : +bothHN:sc= -5.77! C(o=-5.8!,f=-13!) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.229 (180deg=-1.67!) USER MOD Single : A 55 SER OG : rot -95:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= 0.0352 (180deg=-0.358) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.186) USER MOD Single : A 62 THR OG1 : rot 84:sc= 0.461 USER MOD Single : A 66 ASN : amide:sc= -5.19! C(o=-5.2!,f=-11!) USER MOD Single : A 67 GLN : amide:sc= -6.67! C(o=-6.7!,f=-6.6!) USER MOD Single : A 69 SER OG : rot 149:sc= -0.454 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 61:sc= 0.2 USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= -4.27! (180deg=-7.87!) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= -1.32! (180deg=-1.63!) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0281 (180deg=-0.223) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -1.75! (180deg=-2.35!) USER MOD Single : B 1 MET CE :methyl -154:sc= -3.05 (180deg=-4.01) USER MOD Single : B 1 MET N :NH3+ -169:sc= -0.539 (180deg=-0.671) USER MOD Single : B 5 THR OG1 : rot 89:sc= -2.32 USER MOD Single : B 18 SER OG : rot 86:sc= 0.962 USER MOD Single : B 19 THR OG1 : rot -67:sc= 0.711 USER MOD Single : B 22 THR OG1 : rot -73:sc= 1.34 USER MOD Single : B 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0361) USER MOD Single : B 32 SER OG : rot 159:sc= 0.672 USER MOD Single : B 34 ASN : amide:sc= -5.22! C(o=-5.2!,f=-16!) USER MOD Single : B 36 ASN : amide:sc= -5.37! C(o=-5.4!,f=-9.3!) USER MOD Single : B 39 LYS NZ :NH3+ -116:sc= -0.0123 (180deg=-0.523) USER MOD Single : B 43 THR OG1 : rot -105:sc= -0.63 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 HIS : +bothHN:sc= -6.69! C(o=-6.7!,f=-14!) USER MOD Single : B 51 LYS NZ :NH3+ -151:sc= -0.159 (180deg=-1.48!) USER MOD Single : B 55 SER OG : rot -104:sc= 1.2 USER MOD Single : B 59 LYS NZ :NH3+ -129:sc= 0.133 (180deg=-0.37) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 165:sc= -0.0348 (180deg=-0.334) USER MOD Single : B 62 THR OG1 : rot 86:sc= 0.43 USER MOD Single : B 66 ASN : amide:sc= -5.13! C(o=-5.1!,f=-11!) USER MOD Single : B 67 GLN :FLIP amide:sc= -6.46! C(o=-7.7!,f=-6.5!) USER MOD Single : B 69 SER OG : rot 152:sc= -0.416 USER MOD Single : B 74 SER OG : rot -46:sc= 0.44 USER MOD Single : B 76 TYR OH : rot 63:sc= 0.166 USER MOD Single : B 89 LYS NZ :NH3+ -175:sc= -1.15! (180deg=-1.2!) USER MOD Single : B 91 LYS NZ :NH3+ 161:sc= -0.0146 (180deg=-0.227) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ -169:sc= -1.76! (180deg=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.530 4.346 -2.742 1.00 0.64 N ATOM 2 CA MET A 1 -17.683 5.566 -2.757 1.00 0.59 C ATOM 3 C MET A 1 -16.337 5.297 -3.403 1.00 0.60 C ATOM 4 O MET A 1 -15.944 4.148 -3.597 1.00 0.61 O ATOM 5 CB MET A 1 -17.442 6.090 -1.341 1.00 0.57 C ATOM 6 CG MET A 1 -18.320 7.283 -0.967 1.00 0.61 C ATOM 7 SD MET A 1 -20.050 7.064 -1.429 1.00 0.96 S ATOM 8 CE MET A 1 -20.370 8.627 -2.239 1.00 1.17 C ATOM 0 H1 MET A 1 -19.525 4.616 -2.603 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.431 3.843 -3.647 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.228 3.723 -1.966 1.00 0.64 H new ATOM 0 HA MET A 1 -18.224 6.313 -3.338 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.620 5.283 -0.630 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.395 6.377 -1.243 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.256 7.450 0.108 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.931 8.178 -1.452 1.00 0.61 H new ATOM 0 HE1 MET A 1 -21.410 8.912 -2.082 1.00 1.17 H new ATOM 0 HE2 MET A 1 -19.717 9.393 -1.822 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.178 8.529 -3.307 1.00 1.17 H new ATOM 20 N ALA A 2 -15.646 6.372 -3.758 1.00 0.62 N ATOM 21 CA ALA A 2 -14.327 6.260 -4.344 1.00 0.65 C ATOM 22 C ALA A 2 -13.269 6.800 -3.404 1.00 0.62 C ATOM 23 O ALA A 2 -13.337 7.948 -2.971 1.00 0.72 O ATOM 24 CB ALA A 2 -14.250 6.979 -5.681 1.00 0.73 C ATOM 0 H ALA A 2 -15.981 7.329 -3.648 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.138 5.200 -4.514 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.246 6.875 -6.093 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.972 6.543 -6.371 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.476 8.036 -5.539 1.00 0.73 H new ATOM 30 N ALA A 3 -12.293 5.971 -3.089 1.00 0.73 N ATOM 31 CA ALA A 3 -11.218 6.391 -2.219 1.00 0.76 C ATOM 32 C ALA A 3 -10.361 7.414 -2.949 1.00 0.66 C ATOM 33 O ALA A 3 -9.343 7.085 -3.556 1.00 0.81 O ATOM 34 CB ALA A 3 -10.404 5.191 -1.777 1.00 1.06 C ATOM 0 H ALA A 3 -12.224 5.009 -3.421 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.623 6.857 -1.321 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.597 5.520 -1.122 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -11.046 4.494 -1.239 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.982 4.695 -2.651 1.00 1.06 H new ATOM 40 N GLU A 4 -10.805 8.663 -2.883 1.00 0.63 N ATOM 41 CA GLU A 4 -10.140 9.769 -3.556 1.00 0.75 C ATOM 42 C GLU A 4 -8.783 10.096 -2.943 1.00 0.74 C ATOM 43 O GLU A 4 -7.742 9.678 -3.449 1.00 0.85 O ATOM 44 CB GLU A 4 -11.040 10.992 -3.512 1.00 0.97 C ATOM 45 CG GLU A 4 -12.357 10.778 -4.222 1.00 1.44 C ATOM 46 CD GLU A 4 -12.179 10.597 -5.717 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.584 11.492 -6.354 1.00 3.03 O ATOM 48 OE2 GLU A 4 -12.630 9.561 -6.249 1.00 3.20 O ATOM 0 H GLU A 4 -11.637 8.937 -2.361 1.00 0.63 H new ATOM 0 HA GLU A 4 -9.956 9.469 -4.588 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.232 11.258 -2.473 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -10.521 11.836 -3.966 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.853 9.900 -3.808 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.011 11.630 -4.036 1.00 1.44 H new ATOM 55 N THR A 5 -8.806 10.844 -1.851 1.00 0.69 N ATOM 56 CA THR A 5 -7.594 11.255 -1.170 1.00 0.74 C ATOM 57 C THR A 5 -7.043 10.132 -0.281 1.00 0.61 C ATOM 58 O THR A 5 -7.198 8.952 -0.599 1.00 0.78 O ATOM 59 CB THR A 5 -7.866 12.519 -0.336 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.010 13.212 -0.850 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.660 13.436 -0.372 1.00 1.09 C ATOM 0 H THR A 5 -9.664 11.181 -1.415 1.00 0.69 H new ATOM 0 HA THR A 5 -6.838 11.479 -1.923 1.00 0.74 H new ATOM 0 HB THR A 5 -8.060 12.221 0.694 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.817 12.892 -0.396 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.863 14.328 0.221 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.795 12.916 0.039 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.453 13.725 -1.402 1.00 1.09 H new ATOM 69 N LEU A 6 -6.402 10.498 0.831 1.00 0.54 N ATOM 70 CA LEU A 6 -5.828 9.531 1.746 1.00 0.50 C ATOM 71 C LEU A 6 -6.916 8.743 2.458 1.00 0.49 C ATOM 72 O LEU A 6 -7.394 9.150 3.514 1.00 0.56 O ATOM 73 CB LEU A 6 -4.974 10.257 2.785 1.00 0.61 C ATOM 74 CG LEU A 6 -3.652 10.829 2.280 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.689 12.351 2.298 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.501 10.315 3.128 1.00 1.07 C ATOM 0 H LEU A 6 -6.271 11.469 1.114 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.214 8.838 1.171 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.563 11.072 3.206 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.761 9.565 3.599 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.500 10.502 1.251 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -2.739 12.742 1.935 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -4.496 12.703 1.655 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -3.859 12.699 3.317 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.563 10.730 2.758 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.649 10.619 4.164 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.464 9.227 3.071 1.00 1.07 H new ATOM 88 N THR A 7 -7.310 7.614 1.887 1.00 0.50 N ATOM 89 CA THR A 7 -8.342 6.800 2.507 1.00 0.54 C ATOM 90 C THR A 7 -7.887 6.349 3.876 1.00 0.48 C ATOM 91 O THR A 7 -6.736 6.517 4.240 1.00 0.54 O ATOM 92 CB THR A 7 -8.685 5.545 1.687 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.229 5.698 0.339 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.181 5.265 1.694 1.00 0.83 C ATOM 0 H THR A 7 -6.938 7.247 1.011 1.00 0.50 H new ATOM 0 HA THR A 7 -9.232 7.426 2.568 1.00 0.54 H new ATOM 0 HB THR A 7 -8.179 4.698 2.150 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.267 5.518 0.297 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.387 4.371 1.105 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.517 5.109 2.719 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.712 6.114 1.263 1.00 0.83 H new ATOM 102 N GLU A 8 -8.778 5.713 4.605 1.00 0.45 N ATOM 103 CA GLU A 8 -8.457 5.237 5.954 1.00 0.44 C ATOM 104 C GLU A 8 -7.106 4.529 5.982 1.00 0.41 C ATOM 105 O GLU A 8 -6.429 4.490 7.009 1.00 0.42 O ATOM 106 CB GLU A 8 -9.527 4.283 6.473 1.00 0.50 C ATOM 107 CG GLU A 8 -10.951 4.691 6.130 1.00 0.52 C ATOM 108 CD GLU A 8 -11.272 6.108 6.562 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.037 7.041 5.765 1.00 1.67 O ATOM 110 OE2 GLU A 8 -11.758 6.286 7.699 1.00 1.94 O ATOM 0 H GLU A 8 -9.729 5.509 4.298 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.417 6.115 6.598 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.339 3.289 6.067 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.435 4.207 7.556 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.102 4.600 5.054 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.647 4.003 6.609 1.00 0.52 H new ATOM 117 N LEU A 9 -6.728 3.972 4.841 1.00 0.41 N ATOM 118 CA LEU A 9 -5.478 3.253 4.709 1.00 0.40 C ATOM 119 C LEU A 9 -4.266 4.129 5.005 1.00 0.38 C ATOM 120 O LEU A 9 -3.213 3.619 5.384 1.00 0.39 O ATOM 121 CB LEU A 9 -5.391 2.698 3.291 1.00 0.45 C ATOM 122 CG LEU A 9 -6.639 1.948 2.823 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.379 1.201 1.521 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.132 1.008 3.913 1.00 0.92 C ATOM 0 H LEU A 9 -7.281 4.008 3.984 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.465 2.447 5.443 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.199 3.522 2.604 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.535 2.026 3.230 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.423 2.679 2.625 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.285 0.678 1.214 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.090 1.911 0.746 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.576 0.479 1.670 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.021 0.482 3.565 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.352 0.285 4.150 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.377 1.583 4.806 1.00 0.92 H new ATOM 136 N GLU A 10 -4.397 5.448 4.830 1.00 0.38 N ATOM 137 CA GLU A 10 -3.272 6.349 5.093 1.00 0.39 C ATOM 138 C GLU A 10 -2.704 6.068 6.478 1.00 0.38 C ATOM 139 O GLU A 10 -1.495 6.108 6.683 1.00 0.40 O ATOM 140 CB GLU A 10 -3.687 7.813 4.983 1.00 0.46 C ATOM 141 CG GLU A 10 -5.081 8.091 5.492 1.00 0.45 C ATOM 142 CD GLU A 10 -5.128 9.226 6.495 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.268 10.392 6.065 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.027 8.952 7.709 1.00 1.16 O ATOM 0 H GLU A 10 -5.251 5.907 4.514 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.507 6.165 4.339 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.978 8.425 5.541 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.623 8.122 3.940 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.729 8.331 4.649 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.480 7.188 5.954 1.00 0.45 H new ATOM 151 N ALA A 11 -3.590 5.777 7.430 1.00 0.39 N ATOM 152 CA ALA A 11 -3.161 5.452 8.785 1.00 0.39 C ATOM 153 C ALA A 11 -2.186 4.293 8.727 1.00 0.36 C ATOM 154 O ALA A 11 -1.249 4.204 9.520 1.00 0.39 O ATOM 155 CB ALA A 11 -4.354 5.097 9.659 1.00 0.42 C ATOM 0 H ALA A 11 -4.600 5.760 7.288 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.673 6.321 9.226 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.010 4.858 10.665 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.039 5.944 9.701 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.870 4.234 9.238 1.00 0.42 H new ATOM 161 N ALA A 12 -2.426 3.404 7.772 1.00 0.33 N ATOM 162 CA ALA A 12 -1.565 2.256 7.567 1.00 0.33 C ATOM 163 C ALA A 12 -0.228 2.706 6.999 1.00 0.33 C ATOM 164 O ALA A 12 0.797 2.057 7.202 1.00 0.34 O ATOM 165 CB ALA A 12 -2.231 1.250 6.642 1.00 0.34 C ATOM 0 H ALA A 12 -3.214 3.460 7.127 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.390 1.769 8.527 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.571 0.395 6.499 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.169 0.914 7.084 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.431 1.719 5.679 1.00 0.34 H new ATOM 171 N ILE A 13 -0.249 3.829 6.283 1.00 0.36 N ATOM 172 CA ILE A 13 0.963 4.374 5.700 1.00 0.40 C ATOM 173 C ILE A 13 2.021 4.562 6.791 1.00 0.39 C ATOM 174 O ILE A 13 3.220 4.473 6.536 1.00 0.42 O ATOM 175 CB ILE A 13 0.688 5.710 4.944 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.577 5.807 3.702 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.883 6.944 5.830 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.058 5.845 4.015 1.00 2.05 C ATOM 0 H ILE A 13 -1.091 4.373 6.096 1.00 0.36 H new ATOM 0 HA ILE A 13 1.339 3.666 4.962 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.360 5.695 4.646 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.374 4.955 3.053 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.309 6.704 3.144 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.678 7.844 5.250 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.200 6.895 6.678 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.910 6.973 6.193 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.624 5.914 3.086 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.276 6.712 4.638 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.341 4.936 4.546 1.00 2.05 H new ATOM 190 N GLU A 14 1.543 4.815 8.011 1.00 0.39 N ATOM 191 CA GLU A 14 2.413 5.028 9.162 1.00 0.42 C ATOM 192 C GLU A 14 3.256 3.793 9.463 1.00 0.38 C ATOM 193 O GLU A 14 4.439 3.908 9.783 1.00 0.46 O ATOM 194 CB GLU A 14 1.581 5.403 10.390 1.00 0.46 C ATOM 195 CG GLU A 14 0.855 6.731 10.248 1.00 0.79 C ATOM 196 CD GLU A 14 0.023 7.074 11.469 1.00 1.46 C ATOM 197 OE1 GLU A 14 0.564 7.715 12.395 1.00 2.25 O ATOM 198 OE2 GLU A 14 -1.170 6.705 11.499 1.00 2.02 O ATOM 0 H GLU A 14 0.548 4.877 8.225 1.00 0.39 H new ATOM 0 HA GLU A 14 3.090 5.847 8.919 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.850 4.617 10.578 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.234 5.446 11.262 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.584 7.523 10.075 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.209 6.696 9.371 1.00 0.79 H new ATOM 205 N THR A 15 2.651 2.612 9.373 1.00 0.30 N ATOM 206 CA THR A 15 3.388 1.380 9.636 1.00 0.28 C ATOM 207 C THR A 15 4.445 1.170 8.563 1.00 0.29 C ATOM 208 O THR A 15 5.641 1.101 8.842 1.00 0.35 O ATOM 209 CB THR A 15 2.464 0.150 9.663 1.00 0.28 C ATOM 210 OG1 THR A 15 1.414 0.333 10.619 1.00 0.29 O ATOM 211 CG2 THR A 15 3.251 -1.106 10.004 1.00 0.32 C ATOM 0 H THR A 15 1.670 2.482 9.125 1.00 0.30 H new ATOM 0 HA THR A 15 3.852 1.485 10.617 1.00 0.28 H new ATOM 0 HB THR A 15 2.028 0.035 8.671 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.606 -0.127 10.309 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.579 -1.964 10.018 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.026 -1.264 9.254 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.713 -0.991 10.985 1.00 0.32 H new ATOM 219 N VAL A 16 3.975 1.077 7.331 1.00 0.27 N ATOM 220 CA VAL A 16 4.834 0.887 6.175 1.00 0.28 C ATOM 221 C VAL A 16 5.949 1.925 6.136 1.00 0.30 C ATOM 222 O VAL A 16 7.086 1.613 5.785 1.00 0.36 O ATOM 223 CB VAL A 16 4.002 0.990 4.889 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.286 2.320 4.850 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.861 0.825 3.650 1.00 0.33 C ATOM 0 H VAL A 16 2.982 1.131 7.103 1.00 0.27 H new ATOM 0 HA VAL A 16 5.286 -0.102 6.251 1.00 0.28 H new ATOM 0 HB VAL A 16 3.272 0.180 4.895 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.697 2.389 3.936 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.627 2.404 5.714 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.017 3.128 4.872 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.236 0.904 2.761 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.623 1.605 3.629 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.343 -0.153 3.669 1.00 0.33 H new ATOM 235 N VAL A 17 5.619 3.159 6.496 1.00 0.31 N ATOM 236 CA VAL A 17 6.602 4.232 6.480 1.00 0.33 C ATOM 237 C VAL A 17 7.493 4.197 7.718 1.00 0.30 C ATOM 238 O VAL A 17 8.699 4.429 7.636 1.00 0.32 O ATOM 239 CB VAL A 17 5.937 5.619 6.368 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.219 5.994 7.657 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.968 6.674 5.999 1.00 0.50 C ATOM 0 H VAL A 17 4.686 3.439 6.800 1.00 0.31 H new ATOM 0 HA VAL A 17 7.218 4.068 5.596 1.00 0.33 H new ATOM 0 HB VAL A 17 5.190 5.571 5.575 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.761 6.977 7.546 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.446 5.256 7.871 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.935 6.018 8.478 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.482 7.647 5.924 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.740 6.712 6.767 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.422 6.420 5.041 1.00 0.50 H new ATOM 251 N SER A 18 6.891 3.913 8.866 1.00 0.33 N ATOM 252 CA SER A 18 7.632 3.857 10.120 1.00 0.40 C ATOM 253 C SER A 18 8.375 2.531 10.284 1.00 0.44 C ATOM 254 O SER A 18 9.135 2.355 11.233 1.00 0.59 O ATOM 255 CB SER A 18 6.687 4.074 11.303 1.00 0.51 C ATOM 256 OG SER A 18 6.075 5.350 11.242 1.00 1.32 O ATOM 0 H SER A 18 5.894 3.718 8.955 1.00 0.33 H new ATOM 0 HA SER A 18 8.375 4.654 10.096 1.00 0.40 H new ATOM 0 HB2 SER A 18 5.920 3.300 11.306 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.241 3.978 12.237 1.00 0.51 H new ATOM 0 HG SER A 18 5.282 5.305 10.668 1.00 1.32 H new ATOM 262 N THR A 19 8.101 1.576 9.406 1.00 0.37 N ATOM 263 CA THR A 19 8.776 0.282 9.458 1.00 0.44 C ATOM 264 C THR A 19 10.110 0.242 8.686 1.00 0.46 C ATOM 265 O THR A 19 11.174 0.535 9.230 1.00 0.54 O ATOM 266 CB THR A 19 7.857 -0.866 8.977 1.00 0.45 C ATOM 267 OG1 THR A 19 7.303 -0.579 7.679 1.00 0.42 O ATOM 268 CG2 THR A 19 6.733 -1.111 9.975 1.00 0.49 C ATOM 0 H THR A 19 7.420 1.670 8.652 1.00 0.37 H new ATOM 0 HA THR A 19 9.013 0.135 10.512 1.00 0.44 H new ATOM 0 HB THR A 19 8.467 -1.766 8.902 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.513 -0.008 7.779 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.099 -1.922 9.617 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.157 -1.382 10.942 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.137 -0.205 10.082 1.00 0.49 H new ATOM 276 N PHE A 20 10.016 -0.126 7.408 1.00 0.45 N ATOM 277 CA PHE A 20 11.157 -0.292 6.509 1.00 0.54 C ATOM 278 C PHE A 20 11.601 1.024 5.915 1.00 0.52 C ATOM 279 O PHE A 20 12.795 1.288 5.777 1.00 0.64 O ATOM 280 CB PHE A 20 10.742 -1.299 5.424 1.00 0.60 C ATOM 281 CG PHE A 20 11.334 -1.103 4.051 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.703 -1.143 3.849 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.505 -0.896 2.958 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.231 -0.977 2.586 1.00 1.37 C ATOM 285 CE2 PHE A 20 11.033 -0.727 1.695 1.00 1.77 C ATOM 286 CZ PHE A 20 12.395 -0.767 1.511 1.00 1.18 C ATOM 0 H PHE A 20 9.121 -0.322 6.959 1.00 0.45 H new ATOM 0 HA PHE A 20 12.019 -0.668 7.061 1.00 0.54 H new ATOM 0 HB2 PHE A 20 11.008 -2.298 5.769 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.656 -1.271 5.333 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.363 -1.306 4.688 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.434 -0.867 3.098 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.300 -1.012 2.439 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.378 -0.564 0.852 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.810 -0.634 0.523 1.00 1.18 H new ATOM 296 N PHE A 21 10.637 1.842 5.571 1.00 0.44 N ATOM 297 CA PHE A 21 10.927 3.125 4.990 1.00 0.47 C ATOM 298 C PHE A 21 11.782 3.941 5.940 1.00 0.49 C ATOM 299 O PHE A 21 12.419 4.909 5.543 1.00 0.62 O ATOM 300 CB PHE A 21 9.618 3.836 4.649 1.00 0.48 C ATOM 301 CG PHE A 21 8.796 3.134 3.583 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.291 2.013 2.926 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.521 3.585 3.245 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.537 1.363 1.968 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.768 2.931 2.288 1.00 1.13 C ATOM 306 CZ PHE A 21 7.274 1.819 1.653 1.00 0.54 C ATOM 0 H PHE A 21 9.644 1.640 5.684 1.00 0.44 H new ATOM 0 HA PHE A 21 11.492 2.998 4.067 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.019 3.927 5.555 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.843 4.848 4.313 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.277 1.646 3.168 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.116 4.457 3.737 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.938 0.496 1.464 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.782 3.293 2.038 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.683 1.305 0.910 1.00 0.54 H new ATOM 316 N THR A 22 11.810 3.544 7.204 1.00 0.47 N ATOM 317 CA THR A 22 12.638 4.251 8.161 1.00 0.54 C ATOM 318 C THR A 22 14.097 4.214 7.734 1.00 0.49 C ATOM 319 O THR A 22 14.902 5.037 8.172 1.00 0.54 O ATOM 320 CB THR A 22 12.527 3.642 9.554 1.00 0.66 C ATOM 321 OG1 THR A 22 13.030 2.315 9.530 1.00 0.66 O ATOM 322 CG2 THR A 22 11.093 3.650 10.013 1.00 0.81 C ATOM 0 H THR A 22 11.283 2.757 7.581 1.00 0.47 H new ATOM 0 HA THR A 22 12.282 5.281 8.192 1.00 0.54 H new ATOM 0 HB THR A 22 13.115 4.235 10.254 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.284 1.683 9.464 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.027 3.212 11.009 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.726 4.676 10.042 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.486 3.067 9.320 1.00 0.81 H new ATOM 330 N PHE A 23 14.437 3.251 6.873 1.00 0.49 N ATOM 331 CA PHE A 23 15.810 3.119 6.416 1.00 0.51 C ATOM 332 C PHE A 23 16.226 4.356 5.617 1.00 0.44 C ATOM 333 O PHE A 23 17.408 4.571 5.360 1.00 0.45 O ATOM 334 CB PHE A 23 16.004 1.778 5.674 1.00 0.68 C ATOM 335 CG PHE A 23 16.155 1.816 4.183 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.238 2.433 3.567 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.232 1.160 3.398 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.384 2.388 2.202 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.368 1.127 2.033 1.00 1.88 C ATOM 340 CZ PHE A 23 16.447 1.739 1.436 1.00 1.82 C ATOM 0 H PHE A 23 13.788 2.565 6.488 1.00 0.49 H new ATOM 0 HA PHE A 23 16.488 3.080 7.268 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.888 1.292 6.087 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.151 1.140 5.907 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.971 2.952 4.167 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.391 0.666 3.863 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.233 2.862 1.732 1.00 1.93 H new ATOM 0 HE2 PHE A 23 14.630 0.622 1.428 1.00 1.88 H new ATOM 0 HZ PHE A 23 16.557 1.709 0.362 1.00 1.82 H new ATOM 350 N ALA A 24 15.247 5.206 5.271 1.00 0.50 N ATOM 351 CA ALA A 24 15.528 6.461 4.569 1.00 0.58 C ATOM 352 C ALA A 24 16.699 7.153 5.232 1.00 0.60 C ATOM 353 O ALA A 24 17.609 7.666 4.581 1.00 0.65 O ATOM 354 CB ALA A 24 14.315 7.380 4.629 1.00 0.71 C ATOM 0 H ALA A 24 14.259 5.045 5.466 1.00 0.50 H new ATOM 0 HA ALA A 24 15.761 6.239 3.528 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.536 8.309 4.104 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.464 6.890 4.157 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.076 7.599 5.670 1.00 0.71 H new ATOM 360 N GLY A 25 16.642 7.144 6.555 1.00 0.68 N ATOM 361 CA GLY A 25 17.682 7.731 7.375 1.00 0.81 C ATOM 362 C GLY A 25 19.077 7.469 6.833 1.00 0.71 C ATOM 363 O GLY A 25 19.991 8.270 7.034 1.00 0.80 O ATOM 0 H GLY A 25 15.875 6.730 7.086 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.520 8.807 7.444 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.609 7.332 8.387 1.00 0.81 H new ATOM 367 N ARG A 26 19.240 6.342 6.139 1.00 0.60 N ATOM 368 CA ARG A 26 20.525 5.974 5.552 1.00 0.59 C ATOM 369 C ARG A 26 21.160 7.162 4.837 1.00 0.57 C ATOM 370 O ARG A 26 22.359 7.411 4.970 1.00 0.71 O ATOM 371 CB ARG A 26 20.348 4.821 4.567 1.00 0.61 C ATOM 372 CG ARG A 26 21.650 4.380 3.923 1.00 1.17 C ATOM 373 CD ARG A 26 22.022 2.970 4.340 1.00 0.97 C ATOM 374 NE ARG A 26 21.931 2.782 5.785 1.00 1.55 N ATOM 375 CZ ARG A 26 22.576 1.826 6.447 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.353 0.971 5.794 1.00 2.01 N ATOM 377 NH2 ARG A 26 22.446 1.725 7.762 1.00 2.82 N ATOM 0 H ARG A 26 18.494 5.667 5.970 1.00 0.60 H new ATOM 0 HA ARG A 26 21.184 5.660 6.361 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.902 3.973 5.086 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.648 5.122 3.787 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.556 4.428 2.838 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.448 5.067 4.204 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.364 2.259 3.840 1.00 0.97 H new ATOM 0 HD3 ARG A 26 23.037 2.751 4.010 1.00 0.97 H new ATOM 0 HE ARG A 26 21.339 3.420 6.317 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.456 1.046 4.782 1.00 2.01 H new ATOM 0 HH12 ARG A 26 23.847 0.239 6.304 1.00 2.01 H new ATOM 0 HH21 ARG A 26 21.851 2.381 8.268 1.00 2.82 H new ATOM 0 HH22 ARG A 26 22.941 0.991 8.269 1.00 2.82 H new ATOM 391 N GLU A 27 20.348 7.893 4.080 1.00 0.50 N ATOM 392 CA GLU A 27 20.833 9.062 3.361 1.00 0.58 C ATOM 393 C GLU A 27 20.754 10.290 4.259 1.00 0.80 C ATOM 394 O GLU A 27 19.681 10.654 4.740 1.00 1.27 O ATOM 395 CB GLU A 27 20.019 9.284 2.085 1.00 0.98 C ATOM 396 CG GLU A 27 20.372 8.320 0.963 1.00 0.85 C ATOM 397 CD GLU A 27 21.771 8.541 0.420 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.730 8.001 1.011 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.908 9.256 -0.595 1.00 1.78 O ATOM 0 H GLU A 27 19.356 7.696 3.950 1.00 0.50 H new ATOM 0 HA GLU A 27 21.872 8.894 3.079 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.959 9.185 2.318 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.175 10.305 1.738 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.286 7.297 1.328 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.651 8.431 0.153 1.00 0.85 H new ATOM 406 N GLY A 28 21.904 10.921 4.480 1.00 1.33 N ATOM 407 CA GLY A 28 21.974 12.093 5.340 1.00 1.88 C ATOM 408 C GLY A 28 20.798 13.034 5.195 1.00 1.36 C ATOM 409 O GLY A 28 19.938 13.102 6.073 1.00 1.58 O ATOM 0 H GLY A 28 22.797 10.639 4.075 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.039 11.766 6.378 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.892 12.638 5.120 1.00 1.88 H new ATOM 413 N ARG A 29 20.756 13.761 4.086 1.00 1.16 N ATOM 414 CA ARG A 29 19.683 14.718 3.842 1.00 1.06 C ATOM 415 C ARG A 29 18.315 14.134 4.186 1.00 1.13 C ATOM 416 O ARG A 29 18.150 12.918 4.277 1.00 1.73 O ATOM 417 CB ARG A 29 19.697 15.179 2.383 1.00 1.38 C ATOM 418 CG ARG A 29 18.566 16.138 2.045 1.00 1.78 C ATOM 419 CD ARG A 29 18.637 16.600 0.601 1.00 2.37 C ATOM 420 NE ARG A 29 19.897 17.271 0.301 1.00 2.89 N ATOM 421 CZ ARG A 29 20.195 17.781 -0.889 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.321 17.702 -1.883 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.366 18.370 -1.087 1.00 4.31 N ATOM 0 H ARG A 29 21.451 13.707 3.342 1.00 1.16 H new ATOM 0 HA ARG A 29 19.858 15.574 4.493 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.650 15.663 2.171 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.631 14.307 1.733 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.608 15.649 2.224 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.612 17.003 2.707 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.518 15.742 -0.060 1.00 2.37 H new ATOM 0 HD3 ARG A 29 17.808 17.278 0.396 1.00 2.37 H new ATOM 0 HE ARG A 29 20.588 17.353 1.047 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.419 17.249 -1.734 1.00 3.91 H new ATOM 0 HH12 ARG A 29 19.551 18.094 -2.796 1.00 3.91 H new ATOM 0 HH21 ARG A 29 22.041 18.432 -0.325 1.00 4.31 H new ATOM 0 HH22 ARG A 29 21.592 18.761 -2.002 1.00 4.31 H new ATOM 437 N LYS A 30 17.339 15.015 4.378 1.00 1.04 N ATOM 438 CA LYS A 30 15.984 14.596 4.708 1.00 1.47 C ATOM 439 C LYS A 30 15.106 14.612 3.464 1.00 1.32 C ATOM 440 O LYS A 30 13.992 15.136 3.480 1.00 1.64 O ATOM 441 CB LYS A 30 15.377 15.510 5.775 1.00 2.03 C ATOM 442 CG LYS A 30 16.183 15.578 7.066 1.00 2.65 C ATOM 443 CD LYS A 30 17.457 16.391 6.896 1.00 3.51 C ATOM 444 CE LYS A 30 18.078 16.737 8.239 1.00 4.01 C ATOM 445 NZ LYS A 30 18.426 15.518 9.020 1.00 4.77 N ATOM 0 H LYS A 30 17.463 16.025 4.310 1.00 1.04 H new ATOM 0 HA LYS A 30 16.032 13.580 5.101 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.281 16.516 5.365 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.370 15.163 6.006 1.00 2.03 H new ATOM 0 HG2 LYS A 30 15.572 16.021 7.853 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.437 14.568 7.389 1.00 2.65 H new ATOM 0 HD2 LYS A 30 18.173 15.828 6.297 1.00 3.51 H new ATOM 0 HD3 LYS A 30 17.235 17.307 6.349 1.00 3.51 H new ATOM 0 HE2 LYS A 30 18.975 17.335 8.081 1.00 4.01 H new ATOM 0 HE3 LYS A 30 17.383 17.350 8.813 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 18.953 15.791 9.874 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 17.555 15.021 9.295 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 19.014 14.888 8.437 1.00 4.77 H new ATOM 459 N GLY A 31 15.618 14.027 2.390 1.00 0.95 N ATOM 460 CA GLY A 31 14.869 13.962 1.151 1.00 0.88 C ATOM 461 C GLY A 31 14.191 12.647 1.023 1.00 0.80 C ATOM 462 O GLY A 31 13.006 12.551 1.260 1.00 0.85 O ATOM 0 H GLY A 31 16.541 13.595 2.355 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.130 14.763 1.123 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.539 14.116 0.305 1.00 0.88 H new ATOM 466 N SER A 32 14.906 11.627 0.634 1.00 0.74 N ATOM 467 CA SER A 32 14.272 10.343 0.498 1.00 0.71 C ATOM 468 C SER A 32 15.164 9.195 0.894 1.00 0.70 C ATOM 469 O SER A 32 16.320 9.361 1.284 1.00 0.74 O ATOM 470 CB SER A 32 13.763 10.157 -0.917 1.00 0.68 C ATOM 471 OG SER A 32 14.816 10.292 -1.855 1.00 1.10 O ATOM 0 H SER A 32 15.901 11.655 0.411 1.00 0.74 H new ATOM 0 HA SER A 32 13.432 10.333 1.193 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.306 9.173 -1.017 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.986 10.892 -1.128 1.00 0.68 H new ATOM 0 HG SER A 32 15.040 9.412 -2.224 1.00 1.10 H new ATOM 477 N LEU A 33 14.577 8.031 0.781 1.00 0.72 N ATOM 478 CA LEU A 33 15.227 6.778 1.077 1.00 0.74 C ATOM 479 C LEU A 33 15.767 6.206 -0.200 1.00 0.56 C ATOM 480 O LEU A 33 15.301 6.566 -1.273 1.00 0.52 O ATOM 481 CB LEU A 33 14.220 5.829 1.670 1.00 0.99 C ATOM 482 CG LEU A 33 14.576 4.346 1.682 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.952 3.691 2.902 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.102 3.664 0.399 1.00 1.69 C ATOM 0 H LEU A 33 13.610 7.925 0.473 1.00 0.72 H new ATOM 0 HA LEU A 33 16.040 6.931 1.787 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.030 6.138 2.698 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.284 5.946 1.124 1.00 0.99 H new ATOM 0 HG LEU A 33 15.660 4.238 1.732 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.204 2.631 2.915 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.335 4.166 3.806 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.869 3.806 2.863 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.367 2.607 0.430 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.020 3.765 0.312 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.581 4.133 -0.461 1.00 1.69 H new ATOM 496 N ASN A 34 16.765 5.350 -0.118 1.00 0.57 N ATOM 497 CA ASN A 34 17.334 4.819 -1.321 1.00 0.47 C ATOM 498 C ASN A 34 17.193 3.299 -1.391 1.00 0.41 C ATOM 499 O ASN A 34 16.093 2.778 -1.232 1.00 0.56 O ATOM 500 CB ASN A 34 18.784 5.290 -1.373 1.00 0.56 C ATOM 501 CG ASN A 34 19.636 4.669 -0.277 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.366 3.707 -0.514 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.533 5.210 0.930 1.00 2.11 N ATOM 0 H ASN A 34 17.185 5.019 0.751 1.00 0.57 H new ATOM 0 HA ASN A 34 16.801 5.183 -2.199 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.209 5.041 -2.345 1.00 0.56 H new ATOM 0 HB3 ASN A 34 18.814 6.376 -1.281 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.072 4.829 1.707 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.915 6.007 1.080 1.00 2.11 H new ATOM 510 N ILE A 35 18.277 2.590 -1.689 1.00 0.54 N ATOM 511 CA ILE A 35 18.236 1.150 -1.752 1.00 0.54 C ATOM 512 C ILE A 35 19.466 0.543 -1.117 1.00 0.56 C ATOM 513 O ILE A 35 19.931 -0.519 -1.520 1.00 0.63 O ATOM 514 CB ILE A 35 18.069 0.610 -3.187 1.00 0.60 C ATOM 515 CG1 ILE A 35 18.513 1.646 -4.225 1.00 0.70 C ATOM 516 CG2 ILE A 35 16.627 0.188 -3.420 1.00 0.66 C ATOM 517 CD1 ILE A 35 19.910 2.177 -3.988 1.00 1.05 C ATOM 0 H ILE A 35 19.190 2.998 -1.889 1.00 0.54 H new ATOM 0 HA ILE A 35 17.351 0.852 -1.189 1.00 0.54 H new ATOM 0 HB ILE A 35 18.711 -0.263 -3.303 1.00 0.60 H new ATOM 0 HG12 ILE A 35 18.467 1.197 -5.217 1.00 0.70 H new ATOM 0 HG13 ILE A 35 17.810 2.479 -4.219 1.00 0.70 H new ATOM 0 HG21 ILE A 35 16.519 -0.192 -4.436 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.357 -0.593 -2.710 1.00 0.66 H new ATOM 0 HG23 ILE A 35 15.970 1.047 -3.282 1.00 0.66 H new ATOM 0 HD11 ILE A 35 20.158 2.905 -4.760 1.00 1.05 H new ATOM 0 HD12 ILE A 35 19.956 2.655 -3.010 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.623 1.353 -4.024 1.00 1.05 H new ATOM 529 N ASN A 36 19.997 1.234 -0.124 1.00 0.59 N ATOM 530 CA ASN A 36 21.152 0.750 0.601 1.00 0.63 C ATOM 531 C ASN A 36 20.682 -0.242 1.635 1.00 0.59 C ATOM 532 O ASN A 36 21.050 -1.412 1.600 1.00 0.59 O ATOM 533 CB ASN A 36 21.904 1.896 1.260 1.00 0.70 C ATOM 534 CG ASN A 36 23.118 1.417 2.030 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.129 0.309 2.566 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.152 2.248 2.087 1.00 1.89 N ATOM 0 H ASN A 36 19.643 2.135 0.198 1.00 0.59 H new ATOM 0 HA ASN A 36 21.842 0.268 -0.092 1.00 0.63 H new ATOM 0 HB2 ASN A 36 22.218 2.609 0.497 1.00 0.70 H new ATOM 0 HB3 ASN A 36 21.234 2.427 1.936 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.997 1.977 2.589 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.101 3.158 1.628 1.00 1.89 H new ATOM 543 N GLU A 37 19.882 0.218 2.578 1.00 0.57 N ATOM 544 CA GLU A 37 19.355 -0.711 3.546 1.00 0.56 C ATOM 545 C GLU A 37 18.318 -1.562 2.876 1.00 0.50 C ATOM 546 O GLU A 37 18.058 -2.666 3.317 1.00 0.52 O ATOM 547 CB GLU A 37 18.780 -0.045 4.766 1.00 0.66 C ATOM 548 CG GLU A 37 19.622 1.121 5.232 1.00 0.75 C ATOM 549 CD GLU A 37 19.209 1.660 6.589 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.616 1.069 7.610 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.480 2.673 6.628 1.00 1.29 O ATOM 0 H GLU A 37 19.594 1.190 2.690 1.00 0.57 H new ATOM 0 HA GLU A 37 20.184 -1.320 3.906 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.771 0.303 4.546 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.697 -0.775 5.571 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.666 0.811 5.275 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.558 1.923 4.496 1.00 0.75 H new ATOM 558 N PHE A 38 17.711 -1.067 1.784 1.00 0.46 N ATOM 559 CA PHE A 38 16.758 -1.875 1.053 1.00 0.42 C ATOM 560 C PHE A 38 17.425 -3.233 0.812 1.00 0.45 C ATOM 561 O PHE A 38 16.786 -4.276 0.854 1.00 0.45 O ATOM 562 CB PHE A 38 16.386 -1.180 -0.271 1.00 0.43 C ATOM 563 CG PHE A 38 15.195 -1.750 -0.996 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.090 -3.104 -1.266 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.173 -0.912 -1.412 1.00 1.21 C ATOM 566 CE1 PHE A 38 13.988 -3.610 -1.930 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.072 -1.411 -2.078 1.00 1.21 C ATOM 568 CZ PHE A 38 12.978 -2.763 -2.336 1.00 0.45 C ATOM 0 H PHE A 38 17.867 -0.133 1.406 1.00 0.46 H new ATOM 0 HA PHE A 38 15.830 -2.009 1.610 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.193 -0.127 -0.066 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.248 -1.222 -0.937 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.878 -3.773 -0.954 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.239 0.147 -1.212 1.00 1.21 H new ATOM 0 HE1 PHE A 38 13.918 -4.669 -2.131 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.285 -0.744 -2.397 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.116 -3.157 -2.854 1.00 0.45 H new ATOM 578 N LYS A 39 18.762 -3.176 0.679 1.00 0.49 N ATOM 579 CA LYS A 39 19.597 -4.350 0.465 1.00 0.53 C ATOM 580 C LYS A 39 19.432 -5.382 1.562 1.00 0.53 C ATOM 581 O LYS A 39 19.819 -6.541 1.422 1.00 0.56 O ATOM 582 CB LYS A 39 21.049 -3.925 0.328 1.00 0.61 C ATOM 583 CG LYS A 39 21.210 -2.860 -0.723 1.00 0.67 C ATOM 584 CD LYS A 39 21.991 -3.363 -1.923 1.00 0.71 C ATOM 585 CE LYS A 39 22.254 -2.244 -2.917 1.00 1.47 C ATOM 586 NZ LYS A 39 23.142 -1.190 -2.354 1.00 1.80 N ATOM 0 H LYS A 39 19.288 -2.303 0.719 1.00 0.49 H new ATOM 0 HA LYS A 39 19.273 -4.829 -0.459 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.413 -3.552 1.285 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.660 -4.790 0.069 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.227 -2.518 -1.047 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.721 -1.999 -0.292 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.938 -3.788 -1.591 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.436 -4.164 -2.412 1.00 0.71 H new ATOM 0 HE2 LYS A 39 22.710 -2.659 -3.816 1.00 1.47 H new ATOM 0 HE3 LYS A 39 21.306 -1.796 -3.217 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 22.605 -0.306 -2.244 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.499 -1.496 -1.427 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.943 -1.030 -2.998 1.00 1.80 H new ATOM 600 N GLU A 40 18.922 -4.926 2.671 1.00 0.52 N ATOM 601 CA GLU A 40 18.648 -5.788 3.805 1.00 0.56 C ATOM 602 C GLU A 40 17.265 -6.445 3.652 1.00 0.54 C ATOM 603 O GLU A 40 16.868 -7.271 4.473 1.00 0.60 O ATOM 604 CB GLU A 40 18.773 -5.006 5.132 1.00 0.60 C ATOM 605 CG GLU A 40 17.495 -4.334 5.615 1.00 1.09 C ATOM 606 CD GLU A 40 17.582 -3.903 7.066 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.310 -4.739 7.952 1.00 2.62 O ATOM 608 OE2 GLU A 40 17.921 -2.727 7.315 1.00 2.43 O ATOM 0 H GLU A 40 18.681 -3.946 2.823 1.00 0.52 H new ATOM 0 HA GLU A 40 19.392 -6.584 3.832 1.00 0.56 H new ATOM 0 HB2 GLU A 40 19.119 -5.690 5.907 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.543 -4.243 5.014 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.287 -3.464 4.992 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.658 -5.021 5.492 1.00 1.09 H new ATOM 615 N LEU A 41 16.533 -6.065 2.591 1.00 0.49 N ATOM 616 CA LEU A 41 15.193 -6.595 2.341 1.00 0.50 C ATOM 617 C LEU A 41 15.228 -7.975 1.696 1.00 0.55 C ATOM 618 O LEU A 41 15.256 -8.977 2.403 1.00 0.62 O ATOM 619 CB LEU A 41 14.373 -5.643 1.460 1.00 0.46 C ATOM 620 CG LEU A 41 14.144 -4.240 2.011 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.906 -3.632 1.373 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.019 -4.245 3.530 1.00 0.66 C ATOM 0 H LEU A 41 16.853 -5.391 1.895 1.00 0.49 H new ATOM 0 HA LEU A 41 14.715 -6.686 3.316 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.873 -5.554 0.495 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.401 -6.100 1.275 1.00 0.46 H new ATOM 0 HG LEU A 41 15.013 -3.631 1.760 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.747 -2.630 1.770 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.043 -3.577 0.293 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.039 -4.253 1.597 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.857 -3.227 3.885 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.176 -4.871 3.824 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.935 -4.641 3.969 1.00 0.66 H new ATOM 634 N ALA A 42 15.225 -8.030 0.344 1.00 0.55 N ATOM 635 CA ALA A 42 15.233 -9.290 -0.391 1.00 0.61 C ATOM 636 C ALA A 42 16.070 -10.339 0.310 1.00 0.67 C ATOM 637 O ALA A 42 15.708 -11.505 0.368 1.00 0.74 O ATOM 638 CB ALA A 42 15.762 -9.054 -1.781 1.00 0.65 C ATOM 0 H ALA A 42 15.217 -7.203 -0.252 1.00 0.55 H new ATOM 0 HA ALA A 42 14.210 -9.663 -0.441 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.769 -9.994 -2.332 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.124 -8.336 -2.296 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.777 -8.660 -1.722 1.00 0.65 H new ATOM 644 N THR A 43 17.146 -9.882 0.907 1.00 0.66 N ATOM 645 CA THR A 43 18.059 -10.729 1.611 1.00 0.73 C ATOM 646 C THR A 43 17.321 -11.534 2.676 1.00 0.78 C ATOM 647 O THR A 43 17.253 -12.762 2.607 1.00 0.86 O ATOM 648 CB THR A 43 19.154 -9.855 2.244 1.00 0.72 C ATOM 649 OG1 THR A 43 18.615 -8.562 2.593 1.00 0.66 O ATOM 650 CG2 THR A 43 20.327 -9.680 1.289 1.00 0.75 C ATOM 0 H THR A 43 17.409 -8.896 0.913 1.00 0.66 H new ATOM 0 HA THR A 43 18.517 -11.437 0.920 1.00 0.73 H new ATOM 0 HB THR A 43 19.510 -10.355 3.145 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.153 -7.859 2.172 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.089 -9.058 1.759 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.751 -10.656 1.051 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.982 -9.201 0.373 1.00 0.75 H new ATOM 658 N GLN A 44 16.771 -10.832 3.657 1.00 0.77 N ATOM 659 CA GLN A 44 16.023 -11.454 4.728 1.00 0.85 C ATOM 660 C GLN A 44 14.592 -11.755 4.314 1.00 0.85 C ATOM 661 O GLN A 44 14.016 -12.750 4.753 1.00 0.94 O ATOM 662 CB GLN A 44 16.032 -10.556 5.967 1.00 0.88 C ATOM 663 CG GLN A 44 15.139 -11.052 7.092 1.00 1.54 C ATOM 664 CD GLN A 44 15.264 -10.210 8.347 1.00 2.05 C ATOM 665 OE1 GLN A 44 16.091 -10.490 9.215 1.00 2.54 O ATOM 666 NE2 GLN A 44 14.444 -9.170 8.446 1.00 2.75 N ATOM 0 H GLN A 44 16.834 -9.816 3.728 1.00 0.77 H new ATOM 0 HA GLN A 44 16.508 -12.402 4.963 1.00 0.85 H new ATOM 0 HB2 GLN A 44 17.054 -10.474 6.337 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.715 -9.553 5.680 1.00 0.88 H new ATOM 0 HG2 GLN A 44 14.102 -11.047 6.757 1.00 1.54 H new ATOM 0 HG3 GLN A 44 15.394 -12.086 7.325 1.00 1.54 H new ATOM 0 HE21 GLN A 44 13.774 -8.976 7.702 1.00 2.75 H new ATOM 0 HE22 GLN A 44 14.484 -8.565 9.266 1.00 2.75 H new ATOM 675 N GLN A 45 14.013 -10.912 3.466 1.00 0.78 N ATOM 676 CA GLN A 45 12.645 -11.144 3.050 1.00 0.83 C ATOM 677 C GLN A 45 12.601 -12.288 2.058 1.00 0.79 C ATOM 678 O GLN A 45 11.533 -12.845 1.799 1.00 0.80 O ATOM 679 CB GLN A 45 11.987 -9.882 2.488 1.00 0.93 C ATOM 680 CG GLN A 45 12.402 -9.527 1.078 1.00 0.97 C ATOM 681 CD GLN A 45 11.220 -9.140 0.221 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.755 -9.919 -0.606 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.715 -7.939 0.446 1.00 1.43 N ATOM 0 H GLN A 45 14.458 -10.086 3.066 1.00 0.78 H new ATOM 0 HA GLN A 45 12.064 -11.419 3.930 1.00 0.83 H new ATOM 0 HB2 GLN A 45 10.905 -10.011 2.512 1.00 0.93 H new ATOM 0 HB3 GLN A 45 12.222 -9.043 3.143 1.00 0.93 H new ATOM 0 HG2 GLN A 45 13.115 -8.703 1.106 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.915 -10.376 0.626 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.140 -7.330 1.145 1.00 1.43 H new ATOM 0 HE22 GLN A 45 9.901 -7.622 -0.080 1.00 1.43 H new ATOM 692 N LEU A 46 13.770 -12.642 1.481 1.00 0.78 N ATOM 693 CA LEU A 46 13.855 -13.767 0.575 1.00 0.78 C ATOM 694 C LEU A 46 13.064 -14.916 1.174 1.00 0.74 C ATOM 695 O LEU A 46 11.916 -15.059 0.820 1.00 0.75 O ATOM 696 CB LEU A 46 15.312 -14.189 0.278 1.00 0.83 C ATOM 697 CG LEU A 46 15.957 -13.734 -1.055 1.00 1.04 C ATOM 698 CD1 LEU A 46 16.802 -14.859 -1.629 1.00 1.25 C ATOM 699 CD2 LEU A 46 14.922 -13.284 -2.079 1.00 1.30 C ATOM 0 H LEU A 46 14.654 -12.157 1.637 1.00 0.78 H new ATOM 0 HA LEU A 46 13.434 -13.474 -0.387 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.936 -13.819 1.091 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.355 -15.278 0.312 1.00 0.83 H new ATOM 0 HG LEU A 46 16.586 -12.872 -0.834 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.253 -14.533 -2.566 1.00 1.25 H new ATOM 0 HD12 LEU A 46 17.587 -15.122 -0.920 1.00 1.25 H new ATOM 0 HD13 LEU A 46 16.172 -15.730 -1.813 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.426 -12.975 -2.995 1.00 1.30 H new ATOM 0 HD22 LEU A 46 14.244 -14.109 -2.298 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.354 -12.445 -1.677 1.00 1.30 H new ATOM 711 N PRO A 47 13.558 -15.702 2.158 1.00 0.78 N ATOM 712 CA PRO A 47 12.702 -16.779 2.633 1.00 0.80 C ATOM 713 C PRO A 47 11.461 -16.227 3.335 1.00 0.77 C ATOM 714 O PRO A 47 11.452 -15.996 4.545 1.00 0.81 O ATOM 715 CB PRO A 47 13.592 -17.493 3.662 1.00 0.90 C ATOM 716 CG PRO A 47 14.985 -17.038 3.376 1.00 0.95 C ATOM 717 CD PRO A 47 14.854 -15.638 2.854 1.00 0.90 C ATOM 0 HA PRO A 47 12.344 -17.419 1.826 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.297 -17.236 4.680 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.507 -18.576 3.569 1.00 0.90 H new ATOM 0 HG2 PRO A 47 15.598 -17.065 4.277 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.466 -17.686 2.643 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.852 -14.900 3.656 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.669 -15.374 2.180 1.00 0.90 H new ATOM 725 N HIS A 48 10.423 -16.016 2.533 1.00 0.73 N ATOM 726 CA HIS A 48 9.110 -15.595 2.996 1.00 0.74 C ATOM 727 C HIS A 48 8.182 -16.796 3.037 1.00 0.83 C ATOM 728 O HIS A 48 8.631 -17.935 3.172 1.00 0.91 O ATOM 729 CB HIS A 48 8.563 -14.448 2.127 1.00 0.73 C ATOM 730 CG HIS A 48 8.364 -13.204 2.923 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.380 -12.316 3.200 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.263 -12.722 3.539 1.00 1.34 C ATOM 733 CE1 HIS A 48 8.912 -11.341 3.955 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.630 -11.565 4.175 1.00 1.61 N ATOM 0 H HIS A 48 10.474 -16.136 1.521 1.00 0.73 H new ATOM 0 HA HIS A 48 9.185 -15.198 4.008 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.254 -14.250 1.308 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.616 -14.750 1.679 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.343 -12.399 2.873 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.278 -13.165 3.532 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.481 -10.503 4.329 1.00 2.04 H new ATOM 0 HE2 HIS A 48 7.012 -10.972 4.729 1.00 1.61 H new ATOM 743 N LEU A 49 6.886 -16.541 2.924 1.00 0.88 N ATOM 744 CA LEU A 49 5.917 -17.614 2.839 1.00 1.00 C ATOM 745 C LEU A 49 5.885 -18.110 1.387 1.00 0.98 C ATOM 746 O LEU A 49 6.569 -19.069 1.035 1.00 1.02 O ATOM 747 CB LEU A 49 4.533 -17.134 3.286 1.00 1.10 C ATOM 748 CG LEU A 49 4.394 -16.854 4.784 1.00 1.62 C ATOM 749 CD1 LEU A 49 5.375 -15.777 5.223 1.00 2.02 C ATOM 750 CD2 LEU A 49 2.969 -16.445 5.117 1.00 2.44 C ATOM 0 H LEU A 49 6.487 -15.603 2.890 1.00 0.88 H new ATOM 0 HA LEU A 49 6.202 -18.430 3.503 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.287 -16.224 2.738 1.00 1.10 H new ATOM 0 HB3 LEU A 49 3.796 -17.886 3.003 1.00 1.10 H new ATOM 0 HG LEU A 49 4.627 -17.770 5.327 1.00 1.62 H new ATOM 0 HD11 LEU A 49 5.260 -15.593 6.291 1.00 2.02 H new ATOM 0 HD12 LEU A 49 6.393 -16.108 5.020 1.00 2.02 H new ATOM 0 HD13 LEU A 49 5.176 -14.857 4.673 1.00 2.02 H new ATOM 0 HD21 LEU A 49 2.887 -16.249 6.186 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.710 -15.543 4.562 1.00 2.44 H new ATOM 0 HD23 LEU A 49 2.286 -17.249 4.842 1.00 2.44 H new ATOM 762 N LEU A 50 5.082 -17.443 0.549 1.00 0.98 N ATOM 763 CA LEU A 50 4.979 -17.774 -0.878 1.00 1.01 C ATOM 764 C LEU A 50 6.066 -17.069 -1.713 1.00 0.92 C ATOM 765 O LEU A 50 5.899 -16.867 -2.915 1.00 1.01 O ATOM 766 CB LEU A 50 3.594 -17.391 -1.403 1.00 1.11 C ATOM 767 CG LEU A 50 3.235 -17.972 -2.771 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.278 -19.491 -2.733 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.863 -17.485 -3.211 1.00 2.25 C ATOM 0 H LEU A 50 4.490 -16.665 0.838 1.00 0.98 H new ATOM 0 HA LEU A 50 5.129 -18.849 -0.978 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.846 -17.716 -0.680 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.532 -16.304 -1.459 1.00 1.11 H new ATOM 0 HG LEU A 50 3.971 -17.627 -3.497 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.020 -19.887 -3.715 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.281 -19.820 -2.461 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.564 -19.857 -1.995 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.623 -17.908 -4.187 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.115 -17.801 -2.484 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.867 -16.397 -3.278 1.00 2.25 H new ATOM 781 N LYS A 51 7.174 -16.701 -1.077 1.00 0.85 N ATOM 782 CA LYS A 51 8.269 -16.000 -1.740 1.00 0.81 C ATOM 783 C LYS A 51 8.550 -16.512 -3.151 1.00 0.88 C ATOM 784 O LYS A 51 8.374 -17.693 -3.455 1.00 1.03 O ATOM 785 CB LYS A 51 9.531 -16.112 -0.895 1.00 0.97 C ATOM 786 CG LYS A 51 10.716 -15.377 -1.489 1.00 1.23 C ATOM 787 CD LYS A 51 11.909 -16.307 -1.748 1.00 2.11 C ATOM 788 CE LYS A 51 12.196 -17.249 -0.580 1.00 2.68 C ATOM 789 NZ LYS A 51 12.155 -18.680 -0.991 1.00 3.58 N ATOM 0 H LYS A 51 7.338 -16.880 -0.086 1.00 0.85 H new ATOM 0 HA LYS A 51 7.962 -14.959 -1.840 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.329 -15.718 0.101 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.788 -17.165 -0.775 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.416 -14.905 -2.425 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.021 -14.578 -0.813 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.715 -16.897 -2.644 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.795 -15.705 -1.948 1.00 2.11 H new ATOM 0 HE2 LYS A 51 13.177 -17.020 -0.163 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.465 -17.078 0.211 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 11.784 -19.256 -0.208 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 11.537 -18.785 -1.821 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 13.115 -19.000 -1.231 1.00 3.58 H new ATOM 803 N ASP A 52 8.990 -15.587 -4.002 1.00 0.92 N ATOM 804 CA ASP A 52 9.325 -15.883 -5.391 1.00 1.17 C ATOM 805 C ASP A 52 10.833 -16.105 -5.603 1.00 1.23 C ATOM 806 O ASP A 52 11.228 -16.582 -6.665 1.00 1.47 O ATOM 807 CB ASP A 52 8.848 -14.744 -6.294 1.00 1.29 C ATOM 808 CG ASP A 52 7.341 -14.587 -6.280 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.827 -13.879 -5.390 1.00 2.61 O ATOM 810 OD2 ASP A 52 6.675 -15.171 -7.161 1.00 2.35 O ATOM 0 H ASP A 52 9.124 -14.609 -3.746 1.00 0.92 H new ATOM 0 HA ASP A 52 8.818 -16.812 -5.650 1.00 1.17 H new ATOM 0 HB2 ASP A 52 9.311 -13.811 -5.972 1.00 1.29 H new ATOM 0 HB3 ASP A 52 9.182 -14.930 -7.315 1.00 1.29 H new ATOM 815 N VAL A 53 11.670 -15.728 -4.617 1.00 1.13 N ATOM 816 CA VAL A 53 13.111 -15.901 -4.702 1.00 1.26 C ATOM 817 C VAL A 53 13.723 -14.865 -5.628 1.00 1.24 C ATOM 818 O VAL A 53 14.131 -15.167 -6.750 1.00 1.48 O ATOM 819 CB VAL A 53 13.479 -17.320 -5.160 1.00 1.57 C ATOM 820 CG1 VAL A 53 14.982 -17.471 -5.355 1.00 2.17 C ATOM 821 CG2 VAL A 53 12.962 -18.349 -4.168 1.00 1.91 C ATOM 0 H VAL A 53 11.356 -15.298 -3.747 1.00 1.13 H new ATOM 0 HA VAL A 53 13.521 -15.757 -3.702 1.00 1.26 H new ATOM 0 HB VAL A 53 13.002 -17.493 -6.125 1.00 1.57 H new ATOM 0 HG11 VAL A 53 15.207 -18.487 -5.679 1.00 2.17 H new ATOM 0 HG12 VAL A 53 15.323 -16.765 -6.112 1.00 2.17 H new ATOM 0 HG13 VAL A 53 15.493 -17.269 -4.414 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.231 -19.349 -4.508 1.00 1.91 H new ATOM 0 HG22 VAL A 53 13.406 -18.166 -3.189 1.00 1.91 H new ATOM 0 HG23 VAL A 53 11.877 -18.271 -4.095 1.00 1.91 H new ATOM 831 N GLY A 54 13.769 -13.632 -5.139 1.00 1.06 N ATOM 832 CA GLY A 54 14.324 -12.541 -5.913 1.00 1.11 C ATOM 833 C GLY A 54 15.676 -12.874 -6.492 1.00 1.14 C ATOM 834 O GLY A 54 16.653 -13.029 -5.760 1.00 1.24 O ATOM 0 H GLY A 54 13.429 -13.368 -4.214 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.638 -12.288 -6.722 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.411 -11.658 -5.280 1.00 1.11 H new ATOM 838 N SER A 55 15.734 -12.997 -7.808 1.00 1.18 N ATOM 839 CA SER A 55 16.987 -13.294 -8.475 1.00 1.25 C ATOM 840 C SER A 55 18.008 -12.222 -8.124 1.00 1.11 C ATOM 841 O SER A 55 17.682 -11.035 -8.097 1.00 1.10 O ATOM 842 CB SER A 55 16.777 -13.362 -9.988 1.00 1.41 C ATOM 843 OG SER A 55 17.883 -13.971 -10.629 1.00 1.61 O ATOM 0 H SER A 55 14.932 -12.896 -8.431 1.00 1.18 H new ATOM 0 HA SER A 55 17.357 -14.263 -8.140 1.00 1.25 H new ATOM 0 HB2 SER A 55 15.870 -13.925 -10.207 1.00 1.41 H new ATOM 0 HB3 SER A 55 16.632 -12.357 -10.384 1.00 1.41 H new ATOM 0 HG SER A 55 18.499 -13.278 -10.947 1.00 1.61 H new ATOM 849 N LEU A 56 19.243 -12.637 -7.845 1.00 1.15 N ATOM 850 CA LEU A 56 20.307 -11.702 -7.477 1.00 1.10 C ATOM 851 C LEU A 56 20.261 -10.434 -8.327 1.00 0.98 C ATOM 852 O LEU A 56 20.643 -9.357 -7.870 1.00 0.97 O ATOM 853 CB LEU A 56 21.677 -12.373 -7.607 1.00 1.28 C ATOM 854 CG LEU A 56 22.021 -12.889 -9.007 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.674 -11.796 -9.840 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.932 -14.105 -8.914 1.00 2.83 C ATOM 0 H LEU A 56 19.532 -13.615 -7.867 1.00 1.15 H new ATOM 0 HA LEU A 56 20.147 -11.415 -6.438 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.443 -11.660 -7.302 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.722 -13.208 -6.908 1.00 1.28 H new ATOM 0 HG LEU A 56 21.095 -13.185 -9.500 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.910 -12.185 -10.830 1.00 2.61 H new ATOM 0 HD12 LEU A 56 21.990 -10.953 -9.935 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.591 -11.466 -9.352 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.168 -14.461 -9.917 1.00 2.83 H new ATOM 0 HD22 LEU A 56 23.853 -13.831 -8.400 1.00 2.83 H new ATOM 0 HD23 LEU A 56 22.428 -14.896 -8.358 1.00 2.83 H new ATOM 868 N ASP A 57 19.789 -10.567 -9.562 1.00 1.00 N ATOM 869 CA ASP A 57 19.679 -9.418 -10.454 1.00 1.01 C ATOM 870 C ASP A 57 18.434 -8.621 -10.136 1.00 0.95 C ATOM 871 O ASP A 57 18.469 -7.398 -10.060 1.00 0.96 O ATOM 872 CB ASP A 57 19.618 -9.834 -11.915 1.00 1.15 C ATOM 873 CG ASP A 57 18.783 -11.081 -12.144 1.00 1.69 C ATOM 874 OD1 ASP A 57 19.288 -12.191 -11.873 1.00 2.48 O ATOM 875 OD2 ASP A 57 17.626 -10.946 -12.594 1.00 2.20 O ATOM 0 H ASP A 57 19.479 -11.451 -9.966 1.00 1.00 H new ATOM 0 HA ASP A 57 20.572 -8.813 -10.296 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.205 -9.014 -12.503 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.630 -10.010 -12.279 1.00 1.15 H new ATOM 880 N GLU A 58 17.326 -9.330 -9.954 1.00 0.94 N ATOM 881 CA GLU A 58 16.055 -8.696 -9.637 1.00 0.95 C ATOM 882 C GLU A 58 16.258 -7.741 -8.481 1.00 0.87 C ATOM 883 O GLU A 58 15.644 -6.679 -8.404 1.00 0.90 O ATOM 884 CB GLU A 58 15.007 -9.751 -9.274 1.00 0.98 C ATOM 885 CG GLU A 58 13.587 -9.217 -9.239 1.00 1.43 C ATOM 886 CD GLU A 58 12.555 -10.327 -9.214 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.757 -11.308 -8.467 1.00 2.42 O ATOM 888 OE2 GLU A 58 11.549 -10.221 -9.947 1.00 2.29 O ATOM 0 H GLU A 58 17.284 -10.347 -10.021 1.00 0.94 H new ATOM 0 HA GLU A 58 15.696 -8.147 -10.508 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.061 -10.566 -9.995 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.251 -10.172 -8.299 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.460 -8.586 -8.359 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.417 -8.586 -10.111 1.00 1.43 H new ATOM 895 N LYS A 59 17.155 -8.144 -7.592 1.00 0.81 N ATOM 896 CA LYS A 59 17.498 -7.353 -6.436 1.00 0.76 C ATOM 897 C LYS A 59 18.401 -6.187 -6.817 1.00 0.80 C ATOM 898 O LYS A 59 18.341 -5.122 -6.205 1.00 0.79 O ATOM 899 CB LYS A 59 18.146 -8.249 -5.380 1.00 0.75 C ATOM 900 CG LYS A 59 17.153 -9.209 -4.736 1.00 0.75 C ATOM 901 CD LYS A 59 17.626 -10.649 -4.817 1.00 1.14 C ATOM 902 CE LYS A 59 18.859 -10.889 -3.962 1.00 1.95 C ATOM 903 NZ LYS A 59 19.295 -12.312 -4.012 1.00 2.67 N ATOM 0 H LYS A 59 17.660 -9.028 -7.658 1.00 0.81 H new ATOM 0 HA LYS A 59 16.590 -6.923 -6.015 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.953 -8.821 -5.839 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.597 -7.626 -4.607 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.006 -8.933 -3.692 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.186 -9.116 -5.229 1.00 0.75 H new ATOM 0 HD2 LYS A 59 16.825 -11.313 -4.493 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.849 -10.900 -5.854 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.671 -10.247 -4.305 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.646 -10.609 -2.930 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 19.353 -12.692 -3.045 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 18.608 -12.867 -4.561 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.229 -12.373 -4.464 1.00 2.67 H new ATOM 917 N MET A 60 19.241 -6.391 -7.827 1.00 0.86 N ATOM 918 CA MET A 60 20.132 -5.344 -8.291 1.00 0.92 C ATOM 919 C MET A 60 19.409 -4.390 -9.240 1.00 0.96 C ATOM 920 O MET A 60 19.782 -3.225 -9.378 1.00 1.01 O ATOM 921 CB MET A 60 21.357 -5.947 -8.980 1.00 1.00 C ATOM 922 CG MET A 60 22.272 -6.709 -8.036 1.00 1.00 C ATOM 923 SD MET A 60 23.014 -5.649 -6.781 1.00 1.73 S ATOM 924 CE MET A 60 23.978 -6.843 -5.857 1.00 2.31 C ATOM 0 H MET A 60 19.320 -7.271 -8.336 1.00 0.86 H new ATOM 0 HA MET A 60 20.463 -4.776 -7.422 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.024 -6.619 -9.771 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.925 -5.148 -9.457 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.705 -7.501 -7.548 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.062 -7.191 -8.612 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.498 -6.339 -5.043 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.316 -7.606 -5.447 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.707 -7.312 -6.518 1.00 2.31 H new ATOM 934 N LYS A 61 18.373 -4.906 -9.892 1.00 0.97 N ATOM 935 CA LYS A 61 17.577 -4.132 -10.837 1.00 1.02 C ATOM 936 C LYS A 61 16.582 -3.265 -10.093 1.00 0.96 C ATOM 937 O LYS A 61 16.658 -2.037 -10.136 1.00 0.92 O ATOM 938 CB LYS A 61 16.847 -5.076 -11.792 1.00 1.08 C ATOM 939 CG LYS A 61 15.769 -4.402 -12.624 1.00 1.55 C ATOM 940 CD LYS A 61 14.981 -5.416 -13.436 1.00 2.07 C ATOM 941 CE LYS A 61 13.867 -4.752 -14.229 1.00 2.59 C ATOM 942 NZ LYS A 61 14.394 -3.752 -15.198 1.00 3.16 N ATOM 0 H LYS A 61 18.062 -5.871 -9.781 1.00 0.97 H new ATOM 0 HA LYS A 61 18.238 -3.485 -11.414 1.00 1.02 H new ATOM 0 HB2 LYS A 61 17.575 -5.533 -12.462 1.00 1.08 H new ATOM 0 HB3 LYS A 61 16.395 -5.882 -11.214 1.00 1.08 H new ATOM 0 HG2 LYS A 61 15.092 -3.853 -11.970 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.226 -3.673 -13.294 1.00 1.55 H new ATOM 0 HD2 LYS A 61 15.652 -5.938 -14.118 1.00 2.07 H new ATOM 0 HD3 LYS A 61 14.557 -6.167 -12.769 1.00 2.07 H new ATOM 0 HE2 LYS A 61 13.300 -5.513 -14.765 1.00 2.59 H new ATOM 0 HE3 LYS A 61 13.175 -4.263 -13.543 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 13.637 -3.472 -15.854 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 14.733 -2.915 -14.683 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 15.180 -4.170 -15.735 1.00 3.16 H new ATOM 956 N THR A 62 15.643 -3.909 -9.405 1.00 0.98 N ATOM 957 CA THR A 62 14.648 -3.185 -8.632 1.00 0.96 C ATOM 958 C THR A 62 15.333 -2.147 -7.753 1.00 0.86 C ATOM 959 O THR A 62 14.746 -1.137 -7.378 1.00 0.84 O ATOM 960 CB THR A 62 13.809 -4.134 -7.757 1.00 1.02 C ATOM 961 OG1 THR A 62 13.185 -5.132 -8.577 1.00 1.12 O ATOM 962 CG2 THR A 62 12.743 -3.367 -6.989 1.00 1.05 C ATOM 0 H THR A 62 15.553 -4.924 -9.369 1.00 0.98 H new ATOM 0 HA THR A 62 13.975 -2.691 -9.333 1.00 0.96 H new ATOM 0 HB THR A 62 14.476 -4.613 -7.040 1.00 1.02 H new ATOM 0 HG1 THR A 62 13.817 -5.863 -8.740 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.164 -4.061 -6.379 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.220 -2.628 -6.345 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.080 -2.862 -7.692 1.00 1.05 H new ATOM 970 N LEU A 63 16.596 -2.424 -7.431 1.00 0.86 N ATOM 971 CA LEU A 63 17.420 -1.525 -6.642 1.00 0.84 C ATOM 972 C LEU A 63 17.269 -0.091 -7.144 1.00 0.80 C ATOM 973 O LEU A 63 16.763 0.778 -6.436 1.00 0.89 O ATOM 974 CB LEU A 63 18.875 -1.990 -6.750 1.00 0.95 C ATOM 975 CG LEU A 63 19.884 -1.277 -5.855 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.068 -2.188 -5.580 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.363 0.016 -6.502 1.00 1.40 C ATOM 0 H LEU A 63 17.072 -3.281 -7.713 1.00 0.86 H new ATOM 0 HA LEU A 63 17.106 -1.543 -5.598 1.00 0.84 H new ATOM 0 HB2 LEU A 63 18.911 -3.056 -6.523 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.195 -1.873 -7.785 1.00 0.95 H new ATOM 0 HG LEU A 63 19.394 -1.030 -4.914 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.784 -1.671 -4.940 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.722 -3.093 -5.081 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.549 -2.454 -6.521 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.082 0.507 -5.846 1.00 1.40 H new ATOM 0 HD22 LEU A 63 20.838 -0.209 -7.457 1.00 1.40 H new ATOM 0 HD23 LEU A 63 19.512 0.677 -6.667 1.00 1.40 H new ATOM 989 N ASP A 64 17.691 0.146 -8.381 1.00 0.79 N ATOM 990 CA ASP A 64 17.586 1.473 -8.970 1.00 0.82 C ATOM 991 C ASP A 64 16.130 1.833 -9.256 1.00 0.82 C ATOM 992 O ASP A 64 15.812 2.996 -9.499 1.00 0.89 O ATOM 993 CB ASP A 64 18.400 1.571 -10.254 1.00 0.91 C ATOM 994 CG ASP A 64 19.870 1.271 -10.038 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.251 0.083 -10.106 1.00 1.99 O ATOM 996 OD2 ASP A 64 20.641 2.224 -9.800 1.00 2.05 O ATOM 0 H ASP A 64 18.106 -0.559 -8.991 1.00 0.79 H new ATOM 0 HA ASP A 64 17.988 2.181 -8.246 1.00 0.82 H new ATOM 0 HB2 ASP A 64 17.996 0.876 -10.990 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.295 2.573 -10.671 1.00 0.91 H new ATOM 1001 N VAL A 65 15.251 0.831 -9.251 1.00 0.82 N ATOM 1002 CA VAL A 65 13.833 1.066 -9.489 1.00 0.87 C ATOM 1003 C VAL A 65 13.172 1.582 -8.216 1.00 0.77 C ATOM 1004 O VAL A 65 12.774 2.744 -8.135 1.00 0.82 O ATOM 1005 CB VAL A 65 13.113 -0.215 -9.963 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.644 0.069 -10.236 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.792 -0.777 -11.204 1.00 1.07 C ATOM 0 H VAL A 65 15.497 -0.145 -9.085 1.00 0.82 H new ATOM 0 HA VAL A 65 13.749 1.812 -10.279 1.00 0.87 H new ATOM 0 HB VAL A 65 13.175 -0.961 -9.170 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.152 -0.845 -10.569 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.167 0.426 -9.323 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.559 0.830 -11.012 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.273 -1.680 -11.526 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.761 -0.036 -12.003 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.830 -1.018 -10.973 1.00 1.07 H new ATOM 1017 N ASN A 66 13.055 0.705 -7.226 1.00 0.72 N ATOM 1018 CA ASN A 66 12.476 1.060 -5.934 1.00 0.68 C ATOM 1019 C ASN A 66 13.515 1.734 -5.045 1.00 0.57 C ATOM 1020 O ASN A 66 13.654 1.379 -3.875 1.00 0.57 O ATOM 1021 CB ASN A 66 11.966 -0.191 -5.225 1.00 0.82 C ATOM 1022 CG ASN A 66 11.028 -1.007 -6.090 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.095 -0.956 -7.318 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.153 -1.772 -5.453 1.00 1.10 N ATOM 0 H ASN A 66 13.357 -0.267 -7.294 1.00 0.72 H new ATOM 0 HA ASN A 66 11.651 1.749 -6.114 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.814 -0.809 -4.931 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.451 0.099 -4.309 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.500 -2.349 -5.983 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.133 -1.783 -4.433 1.00 1.10 H new ATOM 1031 N GLN A 67 14.241 2.707 -5.582 1.00 0.62 N ATOM 1032 CA GLN A 67 15.264 3.368 -4.801 1.00 0.68 C ATOM 1033 C GLN A 67 14.625 4.317 -3.801 1.00 0.61 C ATOM 1034 O GLN A 67 14.911 4.277 -2.612 1.00 0.66 O ATOM 1035 CB GLN A 67 16.264 4.097 -5.712 1.00 0.88 C ATOM 1036 CG GLN A 67 15.796 5.426 -6.250 1.00 0.74 C ATOM 1037 CD GLN A 67 14.631 5.316 -7.206 1.00 1.15 C ATOM 1038 OE1 GLN A 67 14.543 4.389 -8.008 1.00 1.97 O ATOM 1039 NE2 GLN A 67 13.714 6.264 -7.094 1.00 1.36 N ATOM 0 H GLN A 67 14.139 3.047 -6.538 1.00 0.62 H new ATOM 0 HA GLN A 67 15.823 2.615 -4.245 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.189 4.254 -5.157 1.00 0.88 H new ATOM 0 HB3 GLN A 67 16.504 3.447 -6.554 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.511 6.066 -5.415 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.627 5.916 -6.758 1.00 0.74 H new ATOM 0 HE21 GLN A 67 13.835 7.012 -6.412 1.00 1.36 H new ATOM 0 HE22 GLN A 67 12.887 6.246 -7.690 1.00 1.36 H new ATOM 1048 N ASP A 68 13.749 5.164 -4.290 1.00 0.59 N ATOM 1049 CA ASP A 68 13.066 6.120 -3.448 1.00 0.62 C ATOM 1050 C ASP A 68 11.777 5.539 -2.884 1.00 0.59 C ATOM 1051 O ASP A 68 10.909 6.291 -2.453 1.00 0.66 O ATOM 1052 CB ASP A 68 12.805 7.420 -4.198 1.00 0.74 C ATOM 1053 CG ASP A 68 14.077 8.217 -4.423 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.799 8.473 -3.437 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.354 8.579 -5.586 1.00 1.51 O ATOM 0 H ASP A 68 13.491 5.210 -5.276 1.00 0.59 H new ATOM 0 HA ASP A 68 13.719 6.347 -2.605 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.343 7.196 -5.160 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.094 8.025 -3.636 1.00 0.74 H new ATOM 1060 N SER A 69 11.683 4.194 -2.837 1.00 0.56 N ATOM 1061 CA SER A 69 10.491 3.493 -2.351 1.00 0.59 C ATOM 1062 C SER A 69 9.932 4.222 -1.157 1.00 0.63 C ATOM 1063 O SER A 69 8.724 4.288 -0.944 1.00 0.75 O ATOM 1064 CB SER A 69 10.855 2.050 -1.991 1.00 0.68 C ATOM 1065 OG SER A 69 10.172 1.608 -0.831 1.00 1.75 O ATOM 0 H SER A 69 12.433 3.571 -3.136 1.00 0.56 H new ATOM 0 HA SER A 69 9.730 3.471 -3.131 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.612 1.395 -2.827 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.930 1.976 -1.830 1.00 0.68 H new ATOM 0 HG SER A 69 10.013 0.643 -0.893 1.00 1.75 H new ATOM 1071 N GLU A 70 10.852 4.778 -0.400 1.00 0.64 N ATOM 1072 CA GLU A 70 10.514 5.589 0.749 1.00 0.76 C ATOM 1073 C GLU A 70 10.861 7.015 0.420 1.00 0.78 C ATOM 1074 O GLU A 70 11.778 7.273 -0.361 1.00 0.81 O ATOM 1075 CB GLU A 70 11.272 5.147 1.990 1.00 0.85 C ATOM 1076 CG GLU A 70 11.669 6.297 2.933 1.00 1.33 C ATOM 1077 CD GLU A 70 10.479 6.975 3.578 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.337 6.647 3.200 1.00 2.88 O ATOM 1079 OE2 GLU A 70 10.689 7.822 4.468 1.00 2.72 O ATOM 0 H GLU A 70 11.854 4.681 -0.563 1.00 0.64 H new ATOM 0 HA GLU A 70 9.451 5.482 0.966 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.658 4.435 2.542 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.174 4.618 1.682 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.325 5.909 3.712 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.241 7.037 2.373 1.00 1.33 H new ATOM 1086 N LEU A 71 10.143 7.940 1.003 1.00 0.79 N ATOM 1087 CA LEU A 71 10.422 9.300 0.732 1.00 0.83 C ATOM 1088 C LEU A 71 10.197 10.255 1.920 1.00 0.81 C ATOM 1089 O LEU A 71 9.373 10.021 2.788 1.00 0.86 O ATOM 1090 CB LEU A 71 9.559 9.615 -0.447 1.00 0.99 C ATOM 1091 CG LEU A 71 9.363 11.042 -0.753 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.483 11.772 0.253 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.703 11.663 -0.964 1.00 1.26 C ATOM 0 H LEU A 71 9.377 7.768 1.655 1.00 0.79 H new ATOM 0 HA LEU A 71 11.483 9.451 0.532 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.991 9.134 -1.325 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.581 9.163 -0.285 1.00 0.99 H new ATOM 0 HG LEU A 71 8.788 11.135 -1.674 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.386 12.817 -0.040 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.497 11.309 0.277 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.936 11.713 1.243 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.581 12.722 -1.192 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.301 11.553 -0.060 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.207 11.168 -1.794 1.00 1.26 H new ATOM 1105 N ARG A 72 11.012 11.301 1.979 1.00 0.77 N ATOM 1106 CA ARG A 72 10.875 12.350 2.974 1.00 0.79 C ATOM 1107 C ARG A 72 10.459 13.646 2.258 1.00 0.68 C ATOM 1108 O ARG A 72 9.745 14.476 2.814 1.00 0.75 O ATOM 1109 CB ARG A 72 12.189 12.552 3.736 1.00 0.91 C ATOM 1110 CG ARG A 72 13.079 11.316 3.803 1.00 1.00 C ATOM 1111 CD ARG A 72 12.297 10.040 4.064 1.00 1.06 C ATOM 1112 NE ARG A 72 11.082 10.274 4.843 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.076 10.458 6.159 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.215 10.454 6.836 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.930 10.644 6.801 1.00 1.42 N ATOM 0 H ARG A 72 11.789 11.443 1.334 1.00 0.77 H new ATOM 0 HA ARG A 72 10.115 12.069 3.703 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.747 13.361 3.264 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.959 12.874 4.752 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.625 11.216 2.865 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.820 11.450 4.591 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.031 9.580 3.112 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.933 9.331 4.594 1.00 1.06 H new ATOM 0 HE ARG A 72 10.190 10.297 4.349 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.098 10.310 6.347 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.208 10.595 7.846 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.051 10.646 6.284 1.00 1.42 H new ATOM 0 HH22 ARG A 72 9.928 10.785 7.811 1.00 1.42 H new ATOM 1129 N PHE A 73 10.901 13.783 0.993 1.00 0.60 N ATOM 1130 CA PHE A 73 10.560 14.936 0.154 1.00 0.57 C ATOM 1131 C PHE A 73 9.356 14.646 -0.809 1.00 0.51 C ATOM 1132 O PHE A 73 8.234 14.698 -0.356 1.00 0.63 O ATOM 1133 CB PHE A 73 11.823 15.514 -0.555 1.00 0.64 C ATOM 1134 CG PHE A 73 12.380 14.777 -1.756 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.773 13.449 -1.695 1.00 1.24 C ATOM 1136 CD2 PHE A 73 12.483 15.431 -2.973 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.251 12.793 -2.802 1.00 1.31 C ATOM 1138 CE2 PHE A 73 12.969 14.781 -4.090 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.354 13.459 -4.005 1.00 0.86 C ATOM 0 H PHE A 73 11.501 13.099 0.531 1.00 0.60 H new ATOM 0 HA PHE A 73 10.197 15.728 0.809 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.590 16.531 -0.869 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.617 15.584 0.188 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.702 12.919 -0.757 1.00 1.24 H new ATOM 0 HD2 PHE A 73 12.179 16.464 -3.049 1.00 1.36 H new ATOM 0 HE1 PHE A 73 13.546 11.757 -2.731 1.00 1.31 H new ATOM 0 HE2 PHE A 73 13.048 15.307 -5.030 1.00 1.44 H new ATOM 0 HZ PHE A 73 13.734 12.948 -4.877 1.00 0.86 H new ATOM 1149 N SER A 74 9.536 14.303 -2.101 1.00 0.48 N ATOM 1150 CA SER A 74 8.362 14.078 -2.981 1.00 0.46 C ATOM 1151 C SER A 74 8.254 12.675 -3.538 1.00 0.42 C ATOM 1152 O SER A 74 7.190 12.268 -4.006 1.00 0.47 O ATOM 1153 CB SER A 74 8.351 15.061 -4.147 1.00 0.60 C ATOM 1154 OG SER A 74 9.662 15.289 -4.635 1.00 1.01 O ATOM 0 H SER A 74 10.444 14.179 -2.549 1.00 0.48 H new ATOM 0 HA SER A 74 7.502 14.236 -2.330 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.724 14.672 -4.949 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.910 16.005 -3.827 1.00 0.60 H new ATOM 0 HG SER A 74 9.627 15.921 -5.383 1.00 1.01 H new ATOM 1160 N GLU A 75 9.328 11.943 -3.495 1.00 0.43 N ATOM 1161 CA GLU A 75 9.345 10.567 -4.014 1.00 0.42 C ATOM 1162 C GLU A 75 8.404 9.565 -3.294 1.00 0.42 C ATOM 1163 O GLU A 75 8.625 8.357 -3.392 1.00 0.55 O ATOM 1164 CB GLU A 75 10.757 10.008 -3.920 1.00 0.44 C ATOM 1165 CG GLU A 75 11.818 10.880 -4.546 1.00 0.60 C ATOM 1166 CD GLU A 75 11.903 10.717 -6.051 1.00 0.93 C ATOM 1167 OE1 GLU A 75 12.393 9.663 -6.507 1.00 1.42 O ATOM 1168 OE2 GLU A 75 11.478 11.643 -6.772 1.00 1.60 O ATOM 0 H GLU A 75 10.217 12.259 -3.108 1.00 0.43 H new ATOM 0 HA GLU A 75 8.984 10.657 -5.038 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.004 9.854 -2.870 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.779 9.029 -4.399 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.609 11.923 -4.310 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.785 10.640 -4.104 1.00 0.60 H new ATOM 1175 N TYR A 76 7.366 10.028 -2.589 1.00 0.38 N ATOM 1176 CA TYR A 76 6.485 9.119 -1.876 1.00 0.38 C ATOM 1177 C TYR A 76 5.728 8.264 -2.850 1.00 0.39 C ATOM 1178 O TYR A 76 5.347 7.141 -2.542 1.00 0.43 O ATOM 1179 CB TYR A 76 5.536 9.881 -0.938 1.00 0.40 C ATOM 1180 CG TYR A 76 5.942 9.859 0.517 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.753 8.860 1.025 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.537 10.866 1.377 1.00 1.29 C ATOM 1183 CE1 TYR A 76 7.150 8.848 2.316 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.936 10.869 2.697 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.749 9.857 3.165 1.00 0.49 C ATOM 1186 OH TYR A 76 7.152 9.852 4.480 1.00 0.55 O ATOM 0 H TYR A 76 7.124 11.015 -2.502 1.00 0.38 H new ATOM 0 HA TYR A 76 7.094 8.467 -1.250 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.473 10.918 -1.269 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.536 9.456 -1.030 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.079 8.066 0.370 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.901 11.658 1.010 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.780 8.050 2.682 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.614 11.658 3.360 1.00 1.30 H new ATOM 0 HH TYR A 76 8.130 9.892 4.522 1.00 0.55 H new ATOM 1196 N TRP A 77 5.576 8.765 -4.058 1.00 0.39 N ATOM 1197 CA TRP A 77 4.906 7.991 -5.089 1.00 0.43 C ATOM 1198 C TRP A 77 5.667 6.686 -5.312 1.00 0.45 C ATOM 1199 O TRP A 77 5.167 5.781 -5.975 1.00 0.49 O ATOM 1200 CB TRP A 77 4.846 8.750 -6.410 1.00 0.44 C ATOM 1201 CG TRP A 77 6.204 9.056 -6.935 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.117 8.152 -7.377 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.815 10.343 -7.054 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.260 8.792 -7.766 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.102 10.142 -7.582 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.399 11.643 -6.771 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.978 11.196 -7.829 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.265 12.689 -7.015 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.542 12.461 -7.539 1.00 0.55 C ATOM 0 H TRP A 77 5.900 9.687 -4.350 1.00 0.39 H new ATOM 0 HA TRP A 77 3.887 7.796 -4.754 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.298 8.159 -7.144 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.293 9.679 -6.271 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.962 7.084 -7.415 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.096 8.339 -8.134 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.415 11.828 -6.367 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.964 11.022 -8.234 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.952 13.700 -6.798 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.198 13.300 -7.718 1.00 0.55 H new ATOM 1220 N ARG A 78 6.888 6.587 -4.765 1.00 0.43 N ATOM 1221 CA ARG A 78 7.683 5.389 -4.930 1.00 0.47 C ATOM 1222 C ARG A 78 7.126 4.308 -4.031 1.00 0.49 C ATOM 1223 O ARG A 78 7.135 3.134 -4.386 1.00 0.61 O ATOM 1224 CB ARG A 78 9.152 5.676 -4.622 1.00 0.50 C ATOM 1225 CG ARG A 78 9.796 6.624 -5.615 1.00 0.60 C ATOM 1226 CD ARG A 78 10.588 5.884 -6.683 1.00 0.77 C ATOM 1227 NE ARG A 78 9.860 4.733 -7.215 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.026 4.248 -8.444 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.908 4.795 -9.272 1.00 1.37 N ATOM 1230 NH2 ARG A 78 9.311 3.205 -8.845 1.00 2.82 N ATOM 0 H ARG A 78 7.331 7.321 -4.212 1.00 0.43 H new ATOM 0 HA ARG A 78 7.633 5.047 -5.964 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.231 6.100 -3.621 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.705 4.737 -4.615 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.024 7.229 -6.091 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.457 7.310 -5.085 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.825 6.569 -7.497 1.00 0.77 H new ATOM 0 HD3 ARG A 78 11.536 5.549 -6.262 1.00 0.77 H new ATOM 0 HE ARG A 78 9.183 4.273 -6.607 1.00 1.48 H new ATOM 0 HH11 ARG A 78 11.465 5.594 -8.969 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.028 4.417 -10.212 1.00 1.37 H new ATOM 0 HH21 ARG A 78 8.636 2.776 -8.212 1.00 2.82 H new ATOM 0 HH22 ARG A 78 9.437 2.832 -9.786 1.00 2.82 H new ATOM 1244 N LEU A 79 6.628 4.718 -2.863 1.00 0.43 N ATOM 1245 CA LEU A 79 6.015 3.772 -1.944 1.00 0.46 C ATOM 1246 C LEU A 79 4.771 3.188 -2.598 1.00 0.47 C ATOM 1247 O LEU A 79 4.301 2.114 -2.226 1.00 0.53 O ATOM 1248 CB LEU A 79 5.577 4.398 -0.604 1.00 0.55 C ATOM 1249 CG LEU A 79 6.191 5.738 -0.172 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.073 6.714 0.182 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.085 5.539 1.039 1.00 0.89 C ATOM 0 H LEU A 79 6.639 5.685 -2.539 1.00 0.43 H new ATOM 0 HA LEU A 79 6.775 3.021 -1.728 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.495 4.528 -0.640 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.785 3.672 0.182 1.00 0.55 H new ATOM 0 HG LEU A 79 6.787 6.137 -0.993 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.505 7.666 0.489 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.436 6.869 -0.689 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.478 6.305 0.999 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.514 6.496 1.336 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.497 5.134 1.863 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.886 4.844 0.789 1.00 0.89 H new ATOM 1263 N ILE A 80 4.237 3.911 -3.580 1.00 0.46 N ATOM 1264 CA ILE A 80 3.025 3.502 -4.252 1.00 0.49 C ATOM 1265 C ILE A 80 3.031 2.013 -4.614 1.00 0.49 C ATOM 1266 O ILE A 80 2.132 1.272 -4.215 1.00 0.51 O ATOM 1267 CB ILE A 80 2.733 4.408 -5.486 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.225 4.546 -5.703 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.397 3.889 -6.747 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.864 5.392 -6.908 1.00 1.16 C ATOM 0 H ILE A 80 4.634 4.786 -3.923 1.00 0.46 H new ATOM 0 HA ILE A 80 2.204 3.636 -3.547 1.00 0.49 H new ATOM 0 HB ILE A 80 3.158 5.389 -5.272 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.790 3.553 -5.822 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.776 4.986 -4.812 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.165 4.553 -7.580 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.477 3.853 -6.601 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.027 2.888 -6.967 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.221 5.447 -7.002 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.269 6.396 -6.782 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.284 4.942 -7.808 1.00 1.16 H new ATOM 1282 N GLY A 81 4.033 1.577 -5.363 1.00 0.48 N ATOM 1283 CA GLY A 81 4.120 0.176 -5.725 1.00 0.49 C ATOM 1284 C GLY A 81 4.732 -0.665 -4.621 1.00 0.43 C ATOM 1285 O GLY A 81 4.876 -1.879 -4.764 1.00 0.43 O ATOM 0 H GLY A 81 4.784 2.164 -5.725 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.123 -0.200 -5.956 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.717 0.073 -6.631 1.00 0.49 H new ATOM 1289 N GLU A 82 5.091 -0.020 -3.511 1.00 0.41 N ATOM 1290 CA GLU A 82 5.717 -0.721 -2.391 1.00 0.39 C ATOM 1291 C GLU A 82 4.690 -1.396 -1.505 1.00 0.33 C ATOM 1292 O GLU A 82 4.701 -2.613 -1.329 1.00 0.34 O ATOM 1293 CB GLU A 82 6.527 0.245 -1.549 1.00 0.43 C ATOM 1294 CG GLU A 82 7.676 0.890 -2.307 1.00 0.46 C ATOM 1295 CD GLU A 82 8.687 -0.121 -2.806 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.505 -0.630 -3.931 1.00 1.47 O ATOM 1297 OE2 GLU A 82 9.657 -0.404 -2.075 1.00 1.39 O ATOM 0 H GLU A 82 4.960 0.981 -3.364 1.00 0.41 H new ATOM 0 HA GLU A 82 6.368 -1.485 -2.817 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.868 1.026 -1.170 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.925 -0.284 -0.683 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.279 1.449 -3.154 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.177 1.608 -1.658 1.00 0.46 H new ATOM 1304 N LEU A 83 3.808 -0.583 -0.933 1.00 0.34 N ATOM 1305 CA LEU A 83 2.767 -1.083 -0.048 1.00 0.35 C ATOM 1306 C LEU A 83 2.045 -2.258 -0.688 1.00 0.35 C ATOM 1307 O LEU A 83 1.473 -3.101 0.002 1.00 0.43 O ATOM 1308 CB LEU A 83 1.776 0.030 0.298 1.00 0.43 C ATOM 1309 CG LEU A 83 2.289 1.088 1.286 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.394 1.928 0.664 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.147 1.977 1.753 1.00 1.31 C ATOM 0 H LEU A 83 3.795 0.428 -1.068 1.00 0.34 H new ATOM 0 HA LEU A 83 3.235 -1.426 0.875 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.483 0.531 -0.624 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.877 -0.424 0.714 1.00 0.43 H new ATOM 0 HG LEU A 83 2.705 0.569 2.150 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.738 2.669 1.386 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.226 1.283 0.381 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.011 2.435 -0.222 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.528 2.721 2.453 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.703 2.480 0.894 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.390 1.368 2.248 1.00 1.31 H new ATOM 1323 N ALA A 84 2.071 -2.301 -2.013 1.00 0.34 N ATOM 1324 CA ALA A 84 1.440 -3.385 -2.742 1.00 0.37 C ATOM 1325 C ALA A 84 2.286 -4.647 -2.686 1.00 0.41 C ATOM 1326 O ALA A 84 1.762 -5.760 -2.701 1.00 0.48 O ATOM 1327 CB ALA A 84 1.196 -2.980 -4.177 1.00 0.42 C ATOM 0 H ALA A 84 2.521 -1.599 -2.600 1.00 0.34 H new ATOM 0 HA ALA A 84 0.482 -3.599 -2.268 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.722 -3.803 -4.712 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.544 -2.107 -4.203 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.146 -2.737 -4.653 1.00 0.42 H new ATOM 1333 N LYS A 85 3.604 -4.469 -2.624 1.00 0.42 N ATOM 1334 CA LYS A 85 4.540 -5.592 -2.523 1.00 0.51 C ATOM 1335 C LYS A 85 4.068 -6.566 -1.477 1.00 0.50 C ATOM 1336 O LYS A 85 4.435 -7.718 -1.503 1.00 0.67 O ATOM 1337 CB LYS A 85 5.937 -5.071 -2.196 1.00 0.62 C ATOM 1338 CG LYS A 85 6.426 -4.040 -3.201 1.00 1.18 C ATOM 1339 CD LYS A 85 7.829 -3.550 -2.885 1.00 1.42 C ATOM 1340 CE LYS A 85 7.953 -3.051 -1.448 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.348 -2.685 -1.088 1.00 2.69 N ATOM 0 H LYS A 85 4.052 -3.553 -2.642 1.00 0.42 H new ATOM 0 HA LYS A 85 4.582 -6.116 -3.478 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.932 -4.628 -1.200 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.636 -5.907 -2.169 1.00 0.62 H new ATOM 0 HG2 LYS A 85 6.411 -4.474 -4.201 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.741 -3.192 -3.212 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.541 -4.359 -3.050 1.00 1.42 H new ATOM 0 HD3 LYS A 85 8.095 -2.746 -3.572 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.307 -2.184 -1.312 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.597 -3.824 -0.767 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.666 -3.271 -0.290 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.971 -2.846 -1.905 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.385 -1.682 -0.817 1.00 2.69 H new ATOM 1355 N GLU A 86 3.294 -6.076 -0.531 1.00 0.45 N ATOM 1356 CA GLU A 86 2.727 -6.919 0.499 1.00 0.45 C ATOM 1357 C GLU A 86 1.437 -7.554 0.016 1.00 0.44 C ATOM 1358 O GLU A 86 1.212 -8.754 0.174 1.00 0.46 O ATOM 1359 CB GLU A 86 2.475 -6.094 1.745 1.00 0.48 C ATOM 1360 CG GLU A 86 3.597 -5.138 2.019 1.00 0.98 C ATOM 1361 CD GLU A 86 4.931 -5.850 2.116 1.00 2.08 C ATOM 1362 OE1 GLU A 86 4.957 -6.977 2.647 1.00 2.61 O ATOM 1363 OE2 GLU A 86 5.944 -5.292 1.645 1.00 2.91 O ATOM 0 H GLU A 86 3.042 -5.091 -0.455 1.00 0.45 H new ATOM 0 HA GLU A 86 3.431 -7.717 0.734 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.544 -5.538 1.630 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.347 -6.758 2.600 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.640 -4.391 1.226 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.401 -4.604 2.949 1.00 0.98 H new ATOM 1370 N VAL A 87 0.596 -6.722 -0.582 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.693 -7.156 -1.084 1.00 0.46 C ATOM 1372 C VAL A 87 -0.575 -7.946 -2.388 1.00 0.47 C ATOM 1373 O VAL A 87 -1.559 -8.511 -2.864 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.628 -5.939 -1.296 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.915 -6.344 -2.004 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.914 -5.261 0.036 1.00 0.81 C ATOM 0 H VAL A 87 0.790 -5.732 -0.731 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.117 -7.821 -0.332 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.121 -5.223 -1.943 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.548 -5.467 -2.137 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.676 -6.770 -2.978 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.443 -7.085 -1.404 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.572 -4.407 -0.124 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.397 -5.970 0.709 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.978 -4.920 0.479 1.00 0.81 H new ATOM 1386 N ARG A 88 0.617 -7.995 -2.959 1.00 0.50 N ATOM 1387 CA ARG A 88 0.809 -8.711 -4.212 1.00 0.52 C ATOM 1388 C ARG A 88 0.647 -10.216 -4.027 1.00 0.50 C ATOM 1389 O ARG A 88 -0.331 -10.797 -4.495 1.00 0.59 O ATOM 1390 CB ARG A 88 2.175 -8.380 -4.804 1.00 0.56 C ATOM 1391 CG ARG A 88 2.285 -8.707 -6.282 1.00 0.67 C ATOM 1392 CD ARG A 88 3.660 -8.359 -6.829 1.00 1.33 C ATOM 1393 NE ARG A 88 4.710 -9.172 -6.223 1.00 1.83 N ATOM 1394 CZ ARG A 88 5.958 -9.221 -6.677 1.00 2.72 C ATOM 1395 NH1 ARG A 88 6.311 -8.503 -7.734 1.00 3.25 N ATOM 1396 NH2 ARG A 88 6.855 -9.987 -6.071 1.00 3.50 N ATOM 0 H ARG A 88 1.457 -7.555 -2.583 1.00 0.50 H new ATOM 0 HA ARG A 88 0.037 -8.385 -4.909 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.379 -7.319 -4.658 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.942 -8.930 -4.259 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.089 -9.768 -6.437 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.523 -8.158 -6.835 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.668 -8.503 -7.909 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.867 -7.304 -6.647 1.00 1.33 H new ATOM 0 HE ARG A 88 4.473 -9.734 -5.405 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.624 -7.911 -8.201 1.00 3.25 H new ATOM 0 HH12 ARG A 88 7.270 -8.543 -8.080 1.00 3.25 H new ATOM 0 HH21 ARG A 88 6.587 -10.539 -5.256 1.00 3.50 H new ATOM 0 HH22 ARG A 88 7.813 -10.024 -6.420 1.00 3.50 H new ATOM 1410 N LYS A 89 1.597 -10.846 -3.352 1.00 0.47 N ATOM 1411 CA LYS A 89 1.523 -12.286 -3.119 1.00 0.49 C ATOM 1412 C LYS A 89 0.387 -12.594 -2.158 1.00 0.49 C ATOM 1413 O LYS A 89 -0.174 -13.690 -2.168 1.00 0.55 O ATOM 1414 CB LYS A 89 2.843 -12.846 -2.576 1.00 0.56 C ATOM 1415 CG LYS A 89 3.116 -12.556 -1.104 1.00 0.70 C ATOM 1416 CD LYS A 89 4.332 -11.687 -0.931 1.00 1.55 C ATOM 1417 CE LYS A 89 4.055 -10.256 -1.278 1.00 2.44 C ATOM 1418 NZ LYS A 89 4.571 -9.919 -2.637 1.00 3.29 N ATOM 0 H LYS A 89 2.421 -10.391 -2.959 1.00 0.47 H new ATOM 0 HA LYS A 89 1.333 -12.770 -4.077 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.849 -13.926 -2.724 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.663 -12.439 -3.168 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.250 -12.064 -0.662 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.258 -13.494 -0.567 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.678 -11.749 0.101 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.138 -12.063 -1.561 1.00 1.55 H new ATOM 0 HE2 LYS A 89 2.982 -10.071 -1.238 1.00 2.44 H new ATOM 0 HE3 LYS A 89 4.519 -9.604 -0.538 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 4.426 -8.906 -2.822 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.587 -10.138 -2.687 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 4.061 -10.478 -3.350 1.00 3.29 H new ATOM 1432 N GLU A 90 0.051 -11.611 -1.331 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.023 -11.757 -0.370 1.00 0.52 C ATOM 1434 C GLU A 90 -2.378 -11.885 -1.067 1.00 0.55 C ATOM 1435 O GLU A 90 -3.374 -12.224 -0.432 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.018 -10.574 0.599 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.009 -10.744 1.723 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.293 -11.965 2.577 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -1.106 -11.854 3.518 1.00 1.97 O ATOM 1440 OE2 GLU A 90 0.299 -13.030 2.304 1.00 1.95 O ATOM 0 H GLU A 90 0.513 -10.702 -1.311 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.859 -12.675 0.194 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.794 -9.660 0.049 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.014 -10.454 1.025 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.992 -10.825 1.299 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.017 -9.854 2.352 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.414 -11.627 -2.374 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.657 -11.726 -3.125 1.00 0.61 C ATOM 1449 C LYS A 91 -4.135 -13.169 -3.198 1.00 0.63 C ATOM 1450 O LYS A 91 -5.293 -13.472 -2.908 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.491 -11.148 -4.531 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.761 -12.061 -5.505 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.599 -11.406 -6.866 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.751 -12.258 -7.795 1.00 0.70 C ATOM 1455 NZ LYS A 91 -2.299 -13.634 -7.943 1.00 1.38 N ATOM 0 H LYS A 91 -1.603 -11.351 -2.927 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.412 -11.141 -2.599 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.477 -10.920 -4.935 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.949 -10.205 -4.461 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.780 -12.314 -5.103 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.312 -12.995 -5.613 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.580 -11.244 -7.313 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -2.138 -10.426 -6.747 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -1.696 -11.782 -8.774 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -0.733 -12.312 -7.409 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.894 -14.080 -8.791 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.053 -14.198 -7.104 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -3.334 -13.587 -8.037 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.232 -14.052 -3.588 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.544 -15.474 -3.705 1.00 0.66 C ATOM 1471 C ALA A 92 -3.506 -16.176 -2.356 1.00 0.64 C ATOM 1472 O ALA A 92 -4.245 -17.132 -2.135 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.594 -16.148 -4.682 1.00 0.75 C ATOM 0 H ALA A 92 -2.271 -13.812 -3.831 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.562 -15.555 -4.087 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.841 -17.207 -4.757 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.690 -15.682 -5.663 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.569 -16.038 -4.327 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.644 -15.713 -1.460 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.549 -16.317 -0.135 1.00 0.66 C ATOM 1481 C LEU A 93 -3.652 -15.803 0.773 1.00 0.59 C ATOM 1482 O LEU A 93 -4.015 -16.452 1.754 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.185 -16.058 0.496 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.943 -16.820 1.797 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.509 -17.264 1.892 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.311 -15.957 2.997 1.00 0.95 C ATOM 0 H LEU A 93 -2.008 -14.932 -1.622 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.669 -17.394 -0.256 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.409 -16.328 -0.220 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.083 -14.990 0.689 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.578 -17.706 1.799 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.664 -17.805 2.825 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.746 -17.916 1.051 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.159 -16.389 1.868 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.132 -16.516 3.916 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.700 -15.054 2.997 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.364 -15.682 2.938 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.197 -14.638 0.439 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.274 -14.074 1.224 1.00 0.52 C ATOM 1500 C GLY A 94 -6.370 -15.073 1.483 1.00 0.52 C ATOM 1501 O GLY A 94 -7.133 -14.938 2.437 1.00 0.57 O ATOM 0 H GLY A 94 -3.910 -14.076 -0.362 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.880 -13.715 2.175 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.687 -13.210 0.704 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.456 -16.068 0.609 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.480 -17.087 0.709 1.00 0.57 C ATOM 1507 C ILE A 95 -7.336 -17.951 1.951 1.00 0.61 C ATOM 1508 O ILE A 95 -7.125 -19.158 1.865 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.490 -17.966 -0.550 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.151 -18.701 -0.706 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -7.794 -17.098 -1.758 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -5.932 -19.303 -2.079 1.00 1.68 C ATOM 0 H ILE A 95 -5.821 -16.187 -0.181 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.432 -16.564 0.795 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.266 -18.727 -0.462 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.340 -18.005 -0.493 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -6.095 -19.494 0.040 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -7.803 -17.715 -2.656 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -8.769 -16.627 -1.632 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.029 -16.328 -1.854 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -4.964 -19.804 -2.107 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.721 -20.025 -2.289 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -5.953 -18.513 -2.830 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.459 -17.326 3.116 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.395 -18.052 4.374 1.00 0.74 C ATOM 1526 C ARG A 96 -8.389 -19.211 4.334 1.00 0.82 C ATOM 1527 O ARG A 96 -8.237 -20.208 5.040 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.712 -17.117 5.541 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.679 -16.020 5.744 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.321 -16.592 6.114 1.00 2.45 C ATOM 1531 NE ARG A 96 -5.343 -17.258 7.414 1.00 2.91 N ATOM 1532 CZ ARG A 96 -4.315 -17.945 7.905 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -3.198 -18.063 7.202 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -4.407 -18.514 9.099 1.00 4.48 N ATOM 0 H ARG A 96 -7.603 -16.321 3.213 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.388 -18.445 4.517 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -8.687 -16.659 5.374 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -7.789 -17.705 6.456 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.590 -15.430 4.832 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -7.016 -15.343 6.529 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -5.006 -17.301 5.349 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.582 -15.791 6.130 1.00 2.45 H new ATOM 0 HE ARG A 96 -6.192 -17.193 7.975 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -3.125 -17.627 6.283 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -2.411 -18.590 7.580 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -5.266 -18.425 9.641 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -3.619 -19.041 9.475 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.416 -19.058 3.491 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.429 -20.090 3.314 1.00 0.95 C ATOM 1550 C LYS A 97 -9.946 -21.089 2.267 1.00 0.94 C ATOM 1551 O LYS A 97 -10.299 -20.989 1.092 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.780 -19.491 2.863 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.894 -17.973 2.997 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.762 -17.528 4.443 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.260 -16.098 4.539 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.269 -15.598 5.941 1.00 2.92 N ATOM 0 H LYS A 97 -9.563 -18.225 2.921 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.583 -20.584 4.273 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.950 -19.762 1.821 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.577 -19.952 3.446 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.120 -17.495 2.397 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.854 -17.643 2.600 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.729 -17.610 4.940 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -11.076 -18.192 4.968 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.247 -16.042 4.140 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.883 -15.453 3.920 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -10.919 -14.619 5.963 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.239 -15.627 6.314 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.655 -16.198 6.528 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.131 -22.045 2.696 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.598 -23.054 1.789 1.00 1.06 C ATOM 1572 C LYS A 98 -9.217 -24.420 2.071 1.00 1.22 C ATOM 1573 O LYS A 98 -10.221 -24.761 1.413 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.073 -23.137 1.911 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.364 -21.793 1.786 1.00 1.07 C ATOM 1576 CD LYS A 98 -4.932 -21.957 1.302 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.861 -22.038 -0.216 1.00 2.00 C ATOM 1578 NZ LYS A 98 -5.527 -23.260 -0.745 1.00 2.74 N ATOM 1579 OXT LYS A 98 -8.691 -25.136 2.948 1.00 1.70 O ATOM 0 H LYS A 98 -8.825 -22.143 3.664 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.855 -22.759 0.772 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.820 -23.581 2.874 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.694 -23.809 1.141 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.912 -21.155 1.092 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.366 -21.289 2.752 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.331 -21.117 1.651 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -4.501 -22.859 1.736 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -5.331 -21.154 -0.648 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -3.817 -22.030 -0.530 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -5.230 -23.419 -1.729 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -5.258 -24.080 -0.165 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -6.559 -23.135 -0.711 1.00 2.74 H new ATOM 1594 N MET B 1 18.548 -4.376 -2.858 1.00 0.65 N ATOM 1595 CA MET B 1 17.678 -5.579 -2.803 1.00 0.59 C ATOM 1596 C MET B 1 16.333 -5.316 -3.448 1.00 0.59 C ATOM 1597 O MET B 1 15.941 -4.168 -3.650 1.00 0.60 O ATOM 1598 CB MET B 1 17.441 -5.990 -1.356 1.00 0.58 C ATOM 1599 CG MET B 1 18.294 -7.156 -0.876 1.00 0.60 C ATOM 1600 SD MET B 1 20.028 -7.025 -1.377 1.00 0.94 S ATOM 1601 CE MET B 1 20.266 -8.573 -2.248 1.00 1.18 C ATOM 0 H1 MET B 1 19.517 -4.635 -2.582 1.00 0.65 H new ATOM 0 H2 MET B 1 18.554 -3.996 -3.826 1.00 0.65 H new ATOM 0 H3 MET B 1 18.183 -3.654 -2.205 1.00 0.65 H new ATOM 0 HA MET B 1 18.188 -6.374 -3.346 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.631 -5.130 -0.713 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.390 -6.253 -1.235 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.240 -7.214 0.211 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.879 -8.086 -1.266 1.00 0.60 H new ATOM 0 HE1 MET B 1 21.318 -8.854 -2.210 1.00 1.18 H new ATOM 0 HE2 MET B 1 19.665 -9.351 -1.778 1.00 1.18 H new ATOM 0 HE3 MET B 1 19.959 -8.456 -3.287 1.00 1.18 H new ATOM 1613 N ALA B 2 15.638 -6.391 -3.783 1.00 0.61 N ATOM 1614 CA ALA B 2 14.316 -6.277 -4.365 1.00 0.64 C ATOM 1615 C ALA B 2 13.259 -6.802 -3.412 1.00 0.62 C ATOM 1616 O ALA B 2 13.316 -7.951 -2.978 1.00 0.71 O ATOM 1617 CB ALA B 2 14.230 -7.004 -5.695 1.00 0.72 C ATOM 0 H ALA B 2 15.968 -7.348 -3.661 1.00 0.61 H new ATOM 0 HA ALA B 2 14.130 -5.218 -4.545 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.225 -6.898 -6.103 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.951 -6.576 -6.391 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.452 -8.061 -5.547 1.00 0.72 H new ATOM 1623 N ALA B 3 12.297 -5.958 -3.085 1.00 0.73 N ATOM 1624 CA ALA B 3 11.217 -6.360 -2.205 1.00 0.75 C ATOM 1625 C ALA B 3 10.359 -7.380 -2.935 1.00 0.65 C ATOM 1626 O ALA B 3 9.328 -7.052 -3.522 1.00 0.81 O ATOM 1627 CB ALA B 3 10.415 -5.148 -1.799 1.00 1.04 C ATOM 0 H ALA B 3 12.242 -4.994 -3.414 1.00 0.73 H new ATOM 0 HA ALA B 3 11.608 -6.815 -1.295 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.604 -5.453 -1.138 1.00 1.04 H new ATOM 0 HB2 ALA B 3 11.062 -4.442 -1.278 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.999 -4.673 -2.687 1.00 1.04 H new ATOM 1633 N GLU B 4 10.815 -8.622 -2.893 1.00 0.62 N ATOM 1634 CA GLU B 4 10.157 -9.724 -3.575 1.00 0.75 C ATOM 1635 C GLU B 4 8.805 -10.066 -2.958 1.00 0.74 C ATOM 1636 O GLU B 4 7.761 -9.628 -3.442 1.00 0.86 O ATOM 1637 CB GLU B 4 11.071 -10.944 -3.536 1.00 0.97 C ATOM 1638 CG GLU B 4 12.366 -10.751 -4.288 1.00 1.45 C ATOM 1639 CD GLU B 4 12.155 -10.590 -5.779 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.539 -11.486 -6.390 1.00 3.02 O ATOM 1641 OE2 GLU B 4 12.603 -9.563 -6.334 1.00 3.20 O ATOM 0 H GLU B 4 11.655 -8.895 -2.383 1.00 0.62 H new ATOM 0 HA GLU B 4 9.968 -9.419 -4.604 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.296 -11.186 -2.497 1.00 0.97 H new ATOM 0 HB3 GLU B 4 10.541 -11.799 -3.955 1.00 0.97 H new ATOM 0 HG2 GLU B 4 12.879 -9.871 -3.900 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.018 -11.606 -4.107 1.00 1.45 H new ATOM 1648 N THR B 5 8.832 -10.850 -1.890 1.00 0.70 N ATOM 1649 CA THR B 5 7.618 -11.269 -1.218 1.00 0.75 C ATOM 1650 C THR B 5 7.066 -10.146 -0.329 1.00 0.62 C ATOM 1651 O THR B 5 7.219 -8.968 -0.650 1.00 0.79 O ATOM 1652 CB THR B 5 7.879 -12.543 -0.390 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.039 -13.219 -0.886 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.681 -13.474 -0.461 1.00 1.08 C ATOM 0 H THR B 5 9.690 -11.209 -1.470 1.00 0.70 H new ATOM 0 HA THR B 5 6.867 -11.494 -1.975 1.00 0.75 H new ATOM 0 HB THR B 5 8.044 -12.254 0.648 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.837 -12.875 -0.432 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.880 -14.369 0.128 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.802 -12.966 -0.064 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.500 -13.756 -1.498 1.00 1.08 H new ATOM 1662 N LEU B 6 6.426 -10.507 0.784 1.00 0.54 N ATOM 1663 CA LEU B 6 5.859 -9.524 1.690 1.00 0.50 C ATOM 1664 C LEU B 6 6.960 -8.736 2.384 1.00 0.49 C ATOM 1665 O LEU B 6 7.501 -9.175 3.395 1.00 0.56 O ATOM 1666 CB LEU B 6 4.999 -10.227 2.742 1.00 0.60 C ATOM 1667 CG LEU B 6 3.679 -10.812 2.240 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.726 -12.334 2.260 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.525 -10.306 3.091 1.00 1.07 C ATOM 0 H LEU B 6 6.291 -11.475 1.074 1.00 0.54 H new ATOM 0 HA LEU B 6 5.244 -8.835 1.111 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.586 -11.032 3.185 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.780 -9.516 3.539 1.00 0.60 H new ATOM 0 HG LEU B 6 3.524 -10.488 1.211 1.00 0.75 H new ATOM 0 HD11 LEU B 6 2.778 -12.732 1.899 1.00 1.15 H new ATOM 0 HD12 LEU B 6 4.534 -12.682 1.616 1.00 1.15 H new ATOM 0 HD13 LEU B 6 3.900 -12.679 3.279 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.590 -10.729 2.724 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.678 -10.607 4.127 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.479 -9.219 3.032 1.00 1.07 H new ATOM 1681 N THR B 7 7.275 -7.560 1.862 1.00 0.50 N ATOM 1682 CA THR B 7 8.317 -6.742 2.461 1.00 0.53 C ATOM 1683 C THR B 7 7.864 -6.271 3.826 1.00 0.48 C ATOM 1684 O THR B 7 6.707 -6.426 4.184 1.00 0.55 O ATOM 1685 CB THR B 7 8.653 -5.511 1.593 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.148 -5.696 0.266 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.156 -5.263 1.531 1.00 0.80 C ATOM 0 H THR B 7 6.831 -7.156 1.037 1.00 0.50 H new ATOM 0 HA THR B 7 9.214 -7.356 2.542 1.00 0.53 H new ATOM 0 HB THR B 7 8.181 -4.643 2.053 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.192 -5.480 0.247 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.355 -4.389 0.911 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.538 -5.089 2.537 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.651 -6.133 1.100 1.00 0.80 H new ATOM 1695 N GLU B 8 8.772 -5.678 4.581 1.00 0.46 N ATOM 1696 CA GLU B 8 8.456 -5.200 5.930 1.00 0.45 C ATOM 1697 C GLU B 8 7.096 -4.504 5.965 1.00 0.41 C ATOM 1698 O GLU B 8 6.411 -4.490 6.988 1.00 0.42 O ATOM 1699 CB GLU B 8 9.534 -4.236 6.424 1.00 0.50 C ATOM 1700 CG GLU B 8 10.954 -4.664 6.075 1.00 0.52 C ATOM 1701 CD GLU B 8 11.266 -6.079 6.522 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.028 -7.017 5.732 1.00 1.67 O ATOM 1703 OE2 GLU B 8 11.750 -6.249 7.661 1.00 1.94 O ATOM 0 H GLU B 8 9.735 -5.513 4.290 1.00 0.46 H new ATOM 0 HA GLU B 8 8.421 -6.069 6.587 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.348 -3.250 5.999 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.451 -4.137 7.506 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.097 -4.588 4.997 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.661 -3.977 6.540 1.00 0.52 H new ATOM 1710 N LEU B 9 6.728 -3.931 4.832 1.00 0.41 N ATOM 1711 CA LEU B 9 5.465 -3.228 4.684 1.00 0.40 C ATOM 1712 C LEU B 9 4.259 -4.111 4.981 1.00 0.38 C ATOM 1713 O LEU B 9 3.201 -3.603 5.351 1.00 0.40 O ATOM 1714 CB LEU B 9 5.385 -2.672 3.264 1.00 0.46 C ATOM 1715 CG LEU B 9 6.636 -1.920 2.804 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.377 -1.174 1.503 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.126 -0.979 3.896 1.00 0.93 C ATOM 0 H LEU B 9 7.298 -3.940 3.986 1.00 0.41 H new ATOM 0 HA LEU B 9 5.436 -2.420 5.415 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.198 -3.496 2.575 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.529 -2.001 3.198 1.00 0.46 H new ATOM 0 HG LEU B 9 7.423 -2.649 2.611 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.282 -0.648 1.199 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.092 -1.884 0.727 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.572 -0.454 1.650 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.016 -0.453 3.551 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.345 -0.256 4.130 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.368 -1.554 4.790 1.00 0.93 H new ATOM 1729 N GLU B 10 4.397 -5.427 4.824 1.00 0.38 N ATOM 1730 CA GLU B 10 3.274 -6.328 5.089 1.00 0.39 C ATOM 1731 C GLU B 10 2.716 -6.056 6.476 1.00 0.38 C ATOM 1732 O GLU B 10 1.508 -6.106 6.690 1.00 0.40 O ATOM 1733 CB GLU B 10 3.688 -7.793 4.962 1.00 0.45 C ATOM 1734 CG GLU B 10 5.093 -8.065 5.455 1.00 0.45 C ATOM 1735 CD GLU B 10 5.159 -9.213 6.442 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.296 -10.373 5.999 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.073 -8.953 7.661 1.00 1.16 O ATOM 0 H GLU B 10 5.256 -5.887 4.521 1.00 0.38 H new ATOM 0 HA GLU B 10 2.502 -6.139 4.343 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.988 -8.411 5.524 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.612 -8.095 3.917 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.735 -8.288 4.603 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.488 -7.165 5.925 1.00 0.45 H new ATOM 1744 N ALA B 11 3.606 -5.760 7.420 1.00 0.39 N ATOM 1745 CA ALA B 11 3.184 -5.438 8.775 1.00 0.39 C ATOM 1746 C ALA B 11 2.210 -4.276 8.721 1.00 0.36 C ATOM 1747 O ALA B 11 1.284 -4.177 9.527 1.00 0.39 O ATOM 1748 CB ALA B 11 4.380 -5.088 9.645 1.00 0.42 C ATOM 0 H ALA B 11 4.615 -5.737 7.271 1.00 0.39 H new ATOM 0 HA ALA B 11 2.696 -6.307 9.217 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.040 -4.851 10.653 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.063 -5.936 9.683 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.896 -4.225 9.224 1.00 0.42 H new ATOM 1754 N ALA B 12 2.438 -3.400 7.750 1.00 0.33 N ATOM 1755 CA ALA B 12 1.578 -2.250 7.545 1.00 0.32 C ATOM 1756 C ALA B 12 0.240 -2.697 6.979 1.00 0.33 C ATOM 1757 O ALA B 12 -0.786 -2.049 7.192 1.00 0.34 O ATOM 1758 CB ALA B 12 2.244 -1.245 6.618 1.00 0.34 C ATOM 0 H ALA B 12 3.215 -3.468 7.092 1.00 0.33 H new ATOM 0 HA ALA B 12 1.406 -1.763 8.505 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.585 -0.389 6.475 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.183 -0.910 7.059 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.442 -1.715 5.655 1.00 0.34 H new ATOM 1764 N ILE B 13 0.257 -3.815 6.254 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.960 -4.354 5.672 1.00 0.40 C ATOM 1766 C ILE B 13 -2.013 -4.546 6.766 1.00 0.39 C ATOM 1767 O ILE B 13 -3.215 -4.467 6.515 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.689 -5.689 4.911 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.591 -5.788 3.677 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.872 -6.924 5.798 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.067 -5.843 4.001 1.00 2.05 C ATOM 0 H ILE B 13 1.098 -4.359 6.059 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.338 -3.641 4.939 1.00 0.40 H new ATOM 0 HB ILE B 13 0.356 -5.671 4.602 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.402 -4.930 3.031 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.320 -6.679 3.111 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.671 -7.823 5.216 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.180 -6.874 6.639 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.896 -6.955 6.171 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.640 -5.912 3.076 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.271 -6.716 4.621 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.355 -4.940 4.540 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.532 -4.790 7.986 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.396 -5.004 9.139 1.00 0.42 C ATOM 1785 C GLU B 14 -3.243 -3.773 9.451 1.00 0.38 C ATOM 1786 O GLU B 14 -4.421 -3.898 9.783 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.557 -5.380 10.362 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.836 -6.711 10.221 1.00 0.79 C ATOM 1789 CD GLU B 14 -0.005 -7.056 11.440 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -0.546 -7.694 12.367 1.00 2.25 O ATOM 1791 OE2 GLU B 14 1.188 -6.688 11.468 1.00 2.02 O ATOM 0 H GLU B 14 -0.536 -4.844 8.198 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.074 -5.822 8.894 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.822 -4.596 10.543 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.204 -5.418 11.238 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.568 -7.500 10.050 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.191 -6.679 9.343 1.00 0.79 H new ATOM 1798 N THR B 15 -2.653 -2.583 9.348 1.00 0.30 N ATOM 1799 CA THR B 15 -3.384 -1.369 9.626 1.00 0.28 C ATOM 1800 C THR B 15 -4.451 -1.150 8.567 1.00 0.28 C ATOM 1801 O THR B 15 -5.638 -1.053 8.861 1.00 0.34 O ATOM 1802 CB THR B 15 -2.452 -0.148 9.663 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.423 -0.337 10.643 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.232 1.119 9.975 1.00 0.32 C ATOM 0 H THR B 15 -1.680 -2.444 9.076 1.00 0.30 H new ATOM 0 HA THR B 15 -3.849 -1.480 10.606 1.00 0.28 H new ATOM 0 HB THR B 15 -1.995 -0.042 8.679 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.118 0.535 10.969 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.551 1.970 9.996 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.989 1.279 9.207 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.716 1.018 10.946 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.998 -1.083 7.330 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.869 -0.889 6.180 1.00 0.28 C ATOM 1814 C VAL B 16 -5.963 -1.941 6.132 1.00 0.30 C ATOM 1815 O VAL B 16 -7.102 -1.647 5.771 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.032 -0.963 4.890 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.288 -2.279 4.837 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.888 -0.805 3.651 1.00 0.33 C ATOM 0 H VAL B 16 -3.010 -1.162 7.090 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.341 0.089 6.269 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.321 -0.137 4.908 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.697 -2.326 3.922 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.627 -2.358 5.700 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.003 -3.102 4.850 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.258 -0.863 2.764 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.633 -1.600 3.620 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.390 0.162 3.677 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.621 -3.167 6.497 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.594 -4.242 6.480 1.00 0.33 C ATOM 1830 C VAL B 17 -7.482 -4.199 7.716 1.00 0.30 C ATOM 1831 O VAL B 17 -8.688 -4.430 7.636 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.924 -5.625 6.368 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.204 -5.993 7.658 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.952 -6.684 6.002 1.00 0.50 C ATOM 0 H VAL B 17 -4.687 -3.438 6.805 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.211 -4.091 5.594 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.179 -5.578 5.574 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.741 -6.974 7.549 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.435 -5.250 7.870 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.920 -6.019 8.480 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.463 -7.655 5.927 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.723 -6.724 6.772 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.408 -6.432 5.045 1.00 0.50 H new ATOM 1844 N SER B 18 -6.875 -3.901 8.858 1.00 0.33 N ATOM 1845 CA SER B 18 -7.611 -3.830 10.111 1.00 0.40 C ATOM 1846 C SER B 18 -8.342 -2.496 10.263 1.00 0.44 C ATOM 1847 O SER B 18 -9.119 -2.315 11.197 1.00 0.59 O ATOM 1848 CB SER B 18 -6.667 -4.047 11.293 1.00 0.51 C ATOM 1849 OG SER B 18 -6.052 -5.323 11.229 1.00 1.32 O ATOM 0 H SER B 18 -5.877 -3.705 8.941 1.00 0.33 H new ATOM 0 HA SER B 18 -8.360 -4.622 10.097 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.902 -3.271 11.298 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.221 -3.954 12.227 1.00 0.51 H new ATOM 0 HG SER B 18 -5.250 -5.272 10.668 1.00 1.32 H new ATOM 1855 N THR B 19 -8.040 -1.537 9.394 1.00 0.37 N ATOM 1856 CA THR B 19 -8.705 -0.238 9.446 1.00 0.45 C ATOM 1857 C THR B 19 -10.018 -0.194 8.658 1.00 0.46 C ATOM 1858 O THR B 19 -11.086 -0.502 9.187 1.00 0.53 O ATOM 1859 CB THR B 19 -7.788 0.921 8.993 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.231 0.671 7.690 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.673 1.151 10.000 1.00 0.49 C ATOM 0 H THR B 19 -7.346 -1.632 8.652 1.00 0.37 H new ATOM 0 HA THR B 19 -8.945 -0.099 10.500 1.00 0.45 H new ATOM 0 HB THR B 19 -8.402 1.820 8.935 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.614 -0.089 7.738 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.040 1.971 9.661 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.104 1.402 10.969 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.074 0.245 10.093 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.918 0.192 7.385 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.081 0.342 6.510 1.00 0.53 C ATOM 1871 C PHE B 20 -11.551 -0.980 5.946 1.00 0.53 C ATOM 1872 O PHE B 20 -12.751 -1.237 5.853 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.704 1.341 5.405 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.315 1.122 4.043 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.686 1.173 3.857 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.502 0.888 2.944 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.232 0.993 2.600 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -11.046 0.704 1.689 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.411 0.758 1.518 1.00 1.18 C ATOM 0 H PHE B 20 -9.030 0.409 6.932 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.927 0.721 7.083 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.980 2.340 5.743 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.620 1.330 5.295 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.334 1.355 4.701 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.430 0.849 3.072 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.303 1.037 2.466 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.402 0.518 0.842 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.838 0.616 0.536 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.613 -1.812 5.571 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.944 -3.088 5.008 1.00 0.47 C ATOM 1891 C PHE B 21 -11.800 -3.915 5.959 1.00 0.49 C ATOM 1892 O PHE B 21 -12.445 -4.875 5.549 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.659 -3.823 4.615 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.833 -3.124 3.569 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.311 -2.007 2.903 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.560 -3.580 3.267 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.536 -1.366 1.962 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.785 -2.940 2.329 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.270 -1.830 1.675 1.00 0.53 C ATOM 0 H PHE B 21 -9.613 -1.625 5.647 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.543 -2.932 4.111 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.049 -3.963 5.507 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.921 -4.816 4.249 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.301 -1.635 3.124 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.171 -4.450 3.775 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.921 -0.498 1.448 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.795 -3.308 2.105 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.661 -1.325 0.940 1.00 0.53 H new ATOM 1909 N THR B 22 -11.816 -3.545 7.227 1.00 0.48 N ATOM 1910 CA THR B 22 -12.638 -4.252 8.194 1.00 0.54 C ATOM 1911 C THR B 22 -14.099 -4.224 7.773 1.00 0.48 C ATOM 1912 O THR B 22 -14.901 -5.046 8.216 1.00 0.53 O ATOM 1913 CB THR B 22 -12.507 -3.641 9.590 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.980 -2.288 9.595 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.064 -3.673 10.026 1.00 0.81 C ATOM 0 H THR B 22 -11.276 -2.768 7.609 1.00 0.48 H new ATOM 0 HA THR B 22 -12.286 -5.283 8.228 1.00 0.54 H new ATOM 0 HB THR B 22 -13.112 -4.226 10.283 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.331 -1.713 9.138 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.975 -3.237 11.021 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.714 -4.705 10.049 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.459 -3.100 9.323 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.438 -3.271 6.911 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.797 -3.132 6.429 1.00 0.51 C ATOM 1925 C PHE B 23 -16.216 -4.374 5.642 1.00 0.44 C ATOM 1926 O PHE B 23 -17.400 -4.606 5.416 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.923 -1.800 5.664 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.135 -1.839 4.178 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.214 -2.483 3.588 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.259 -1.147 3.372 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.397 -2.431 2.225 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.430 -1.101 2.012 1.00 1.88 C ATOM 1933 CZ PHE B 23 -16.502 -1.742 1.439 1.00 1.83 C ATOM 0 H PHE B 23 -13.784 -2.584 6.534 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.506 -3.078 7.255 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.753 -1.245 6.102 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.018 -1.223 5.854 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.915 -3.029 4.203 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.422 -0.631 3.819 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.241 -2.930 1.773 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -14.726 -0.564 1.394 1.00 1.88 H new ATOM 0 HZ PHE B 23 -16.642 -1.705 0.369 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.237 -5.215 5.284 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.517 -6.474 4.583 1.00 0.59 C ATOM 1945 C ALA B 24 -16.712 -7.175 5.211 1.00 0.61 C ATOM 1946 O ALA B 24 -17.647 -7.589 4.527 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.308 -7.391 4.652 1.00 0.71 C ATOM 0 H ALA B 24 -14.248 -5.047 5.468 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.741 -6.244 3.541 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.527 -8.322 4.129 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.454 -6.903 4.182 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.074 -7.607 5.694 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.654 -7.301 6.532 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.728 -7.918 7.290 1.00 0.85 C ATOM 1955 C GLY B 25 -19.111 -7.562 6.768 1.00 0.74 C ATOM 1956 O GLY B 25 -20.052 -8.335 6.942 1.00 0.82 O ATOM 0 H GLY B 25 -15.869 -6.981 7.099 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.605 -9.001 7.266 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.650 -7.611 8.333 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.246 -6.388 6.131 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.532 -5.971 5.561 1.00 0.59 C ATOM 1962 C ARG B 26 -21.184 -7.142 4.843 1.00 0.58 C ATOM 1963 O ARG B 26 -22.375 -7.409 5.001 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.342 -4.818 4.579 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.640 -4.376 3.926 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.011 -2.965 4.334 1.00 0.96 C ATOM 1967 NE ARG B 26 -21.926 -2.778 5.781 1.00 1.55 N ATOM 1968 CZ ARG B 26 -22.581 -1.829 6.445 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.360 -0.977 5.793 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -22.453 -1.730 7.761 1.00 2.82 N ATOM 0 H ARG B 26 -18.488 -5.719 6.000 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.173 -5.636 6.376 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.898 -3.971 5.103 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.636 -5.120 3.805 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.540 -4.429 2.842 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.441 -5.060 4.206 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.348 -2.257 3.837 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -23.024 -2.744 3.998 1.00 0.96 H new ATOM 0 HE ARG B 26 -21.330 -3.412 6.313 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.458 -1.048 4.780 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -23.861 -0.250 6.304 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -21.852 -2.382 8.265 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -22.956 -1.002 8.269 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.377 -7.833 4.050 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.847 -9.018 3.335 1.00 0.57 C ATOM 1986 C GLU B 27 -20.745 -10.246 4.238 1.00 0.80 C ATOM 1987 O GLU B 27 -19.665 -10.603 4.708 1.00 1.26 O ATOM 1988 CB GLU B 27 -20.025 -9.242 2.066 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.387 -8.296 0.935 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.783 -8.541 0.399 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.747 -8.008 0.987 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.913 -9.265 -0.610 1.00 1.79 O ATOM 0 H GLU B 27 -19.398 -7.598 3.884 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.888 -8.861 3.054 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.967 -9.125 2.302 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.165 -10.269 1.729 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.312 -7.267 1.288 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.665 -8.409 0.126 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.890 -10.887 4.470 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.947 -12.058 5.332 1.00 1.87 C ATOM 2001 C GLY B 28 -20.767 -12.993 5.185 1.00 1.35 C ATOM 2002 O GLY B 28 -19.893 -13.037 6.050 1.00 1.58 O ATOM 0 H GLY B 28 -22.788 -10.612 4.072 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.009 -11.729 6.369 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.862 -12.609 5.117 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.738 -13.744 4.091 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.663 -14.699 3.848 1.00 1.06 C ATOM 2008 C ARG B 29 -18.296 -14.105 4.187 1.00 1.14 C ATOM 2009 O ARG B 29 -18.135 -12.888 4.255 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.677 -15.169 2.394 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.552 -16.136 2.060 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.621 -16.598 0.614 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.880 -17.274 0.313 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.175 -17.786 -0.877 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.300 -17.706 -1.869 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.345 -18.378 -1.075 1.00 4.30 N ATOM 0 H ARG B 29 -21.446 -13.711 3.358 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.835 -15.554 4.502 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.633 -15.649 2.185 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.606 -14.301 1.739 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.591 -15.654 2.243 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.606 -17.001 2.722 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.504 -15.739 -0.047 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -17.790 -17.273 0.409 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.572 -17.358 1.058 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.399 -17.251 -1.719 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.527 -18.099 -2.782 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -22.020 -18.441 -0.313 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -21.570 -18.770 -1.989 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.319 -14.979 4.395 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.966 -14.550 4.724 1.00 1.49 C ATOM 2032 C LYS B 30 -15.094 -14.585 3.477 1.00 1.34 C ATOM 2033 O LYS B 30 -13.988 -15.120 3.496 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.355 -15.463 5.790 1.00 2.04 C ATOM 2035 CG LYS B 30 -16.164 -15.555 7.076 1.00 2.66 C ATOM 2036 CD LYS B 30 -17.427 -16.385 6.899 1.00 3.51 C ATOM 2037 CE LYS B 30 -18.051 -16.740 8.239 1.00 4.01 C ATOM 2038 NZ LYS B 30 -18.405 -15.527 9.025 1.00 4.78 N ATOM 0 H LYS B 30 -17.439 -15.991 4.342 1.00 1.05 H new ATOM 0 HA LYS B 30 -16.014 -13.533 5.112 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.243 -16.464 5.373 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.354 -15.103 6.029 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -15.548 -15.995 7.860 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.433 -14.552 7.407 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -18.147 -15.831 6.296 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -17.190 -17.298 6.353 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -18.946 -17.340 8.075 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -17.356 -17.354 8.812 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -18.948 -15.805 9.867 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -17.536 -15.038 9.320 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -18.979 -14.889 8.438 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.601 -14.009 2.399 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.850 -13.964 1.160 1.00 0.88 C ATOM 2054 C GLY B 31 -14.161 -12.657 1.027 1.00 0.81 C ATOM 2055 O GLY B 31 -12.979 -12.565 1.274 1.00 0.85 O ATOM 0 H GLY B 31 -16.521 -13.571 2.358 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.119 -14.773 1.139 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.520 -14.118 0.314 1.00 0.88 H new ATOM 2059 N SER B 32 -14.873 -11.642 0.628 1.00 0.74 N ATOM 2060 CA SER B 32 -14.244 -10.354 0.483 1.00 0.71 C ATOM 2061 C SER B 32 -15.145 -9.215 0.888 1.00 0.70 C ATOM 2062 O SER B 32 -16.298 -9.393 1.281 1.00 0.75 O ATOM 2063 CB SER B 32 -13.747 -10.150 -0.943 1.00 0.69 C ATOM 2064 OG SER B 32 -14.813 -10.224 -1.871 1.00 1.09 O ATOM 0 H SER B 32 -15.867 -11.674 0.401 1.00 0.74 H new ATOM 0 HA SER B 32 -13.393 -10.348 1.164 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.256 -9.180 -1.025 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.000 -10.906 -1.182 1.00 0.69 H new ATOM 0 HG SER B 32 -14.555 -9.774 -2.702 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.571 -8.044 0.776 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.232 -6.796 1.084 1.00 0.74 C ATOM 2072 C LEU B 33 -15.785 -6.215 -0.188 1.00 0.57 C ATOM 2073 O LEU B 33 -15.313 -6.551 -1.265 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.221 -5.849 1.676 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.584 -4.365 1.703 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.962 -3.711 2.924 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.118 -3.670 0.426 1.00 1.69 C ATOM 0 H LEU B 33 -13.608 -7.927 0.461 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.043 -6.958 1.794 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.020 -6.166 2.699 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.290 -5.959 1.120 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.668 -4.268 1.760 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.222 -2.653 2.942 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.339 -4.192 3.826 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.878 -3.818 2.882 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.387 -2.615 0.467 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.036 -3.765 0.334 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.598 -4.133 -0.436 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.801 -5.376 -0.101 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.366 -4.835 -1.296 1.00 0.47 C ATOM 2091 C ASN B 34 -17.183 -3.328 -1.353 1.00 0.41 C ATOM 2092 O ASN B 34 -16.082 -2.825 -1.160 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.834 -5.280 -1.359 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.667 -4.665 -0.253 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.422 -3.720 -0.479 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.524 -5.192 0.955 1.00 2.12 N ATOM 0 H ASN B 34 -17.235 -5.068 0.769 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.853 -5.212 -2.180 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.255 -5.002 -2.325 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -18.886 -6.367 -1.289 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.051 -4.814 1.742 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.887 -5.975 1.097 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.232 -2.632 -1.697 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.200 -1.182 -1.764 1.00 0.54 C ATOM 2105 C ILE B 35 -19.429 -0.572 -1.117 1.00 0.56 C ATOM 2106 O ILE B 35 -19.883 0.495 -1.515 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.056 -0.642 -3.201 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -18.514 -1.677 -4.233 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -16.617 -0.215 -3.453 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -19.914 -2.193 -3.985 1.00 1.04 C ATOM 0 H ILE B 35 -19.133 -3.044 -1.939 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.309 -0.885 -1.210 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.702 0.229 -3.309 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -18.469 -1.232 -5.227 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -17.819 -2.517 -4.228 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -16.523 0.165 -4.470 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.341 0.567 -2.746 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -15.955 -1.071 -3.323 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -20.174 -2.922 -4.752 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -19.959 -2.667 -3.004 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.619 -1.363 -4.019 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.979 -1.262 -0.132 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.133 -0.758 0.588 1.00 0.63 C ATOM 2124 C ASN B 36 -20.656 0.208 1.639 1.00 0.59 C ATOM 2125 O ASN B 36 -20.982 1.391 1.597 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.944 -1.893 1.203 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.125 -1.399 2.017 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.099 -0.301 2.572 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.168 -2.216 2.096 1.00 1.90 N ATOM 0 H ASN B 36 -19.644 -2.172 0.186 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.798 -0.243 -0.105 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.304 -2.547 0.409 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -21.295 -2.493 1.841 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.991 -1.942 2.633 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.147 -3.118 1.620 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.896 -0.275 2.608 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.373 0.655 3.584 1.00 0.56 C ATOM 2138 C GLU B 37 -18.331 1.534 2.919 1.00 0.50 C ATOM 2139 O GLU B 37 -18.072 2.640 3.379 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.802 -0.040 4.796 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.615 -1.239 5.224 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.198 -1.776 6.577 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.593 -1.177 7.600 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.478 -2.794 6.616 1.00 1.28 O ATOM 0 H GLU B 37 -19.639 -1.254 2.735 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.197 1.269 3.948 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.782 -0.358 4.579 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.747 0.669 5.622 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.670 -0.965 5.256 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.513 -2.027 4.478 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.732 1.056 1.813 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.773 1.866 1.077 1.00 0.43 C ATOM 2153 C PHE B 38 -17.429 3.222 0.839 1.00 0.45 C ATOM 2154 O PHE B 38 -16.800 4.265 0.911 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.425 1.192 -0.262 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.219 1.747 -0.979 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.090 3.103 -1.233 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.212 0.897 -1.406 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -13.981 3.598 -1.894 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.101 1.386 -2.069 1.00 1.21 C ATOM 2161 CZ PHE B 38 -12.985 2.739 -2.312 1.00 0.46 C ATOM 0 H PHE B 38 -17.898 0.128 1.423 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.845 1.979 1.637 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.261 0.130 -0.081 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.287 1.273 -0.924 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.866 3.782 -0.911 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.296 -0.163 -1.218 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -13.894 4.658 -2.083 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.325 0.709 -2.396 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.118 3.125 -2.828 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.747 3.160 0.630 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.576 4.340 0.406 1.00 0.53 C ATOM 2173 C LYS B 39 -19.381 5.374 1.509 1.00 0.54 C ATOM 2174 O LYS B 39 -19.717 6.545 1.348 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.033 3.907 0.328 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.236 2.822 -0.700 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.032 3.315 -1.891 1.00 0.70 C ATOM 2178 CE LYS B 39 -22.255 2.208 -2.906 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.144 1.140 -2.372 1.00 1.82 N ATOM 0 H LYS B 39 -19.268 2.284 0.612 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.279 4.811 -0.531 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.360 3.549 1.305 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.656 4.766 0.079 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.267 2.456 -1.038 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.753 1.979 -0.241 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.994 3.700 -1.553 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -21.506 4.144 -2.364 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -22.694 2.628 -3.811 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -21.295 1.775 -3.188 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -22.614 0.248 -2.305 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.485 1.412 -1.428 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.956 1.013 -3.010 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.895 4.918 2.651 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.624 5.798 3.775 1.00 0.57 C ATOM 2195 C GLU B 40 -17.242 6.457 3.631 1.00 0.55 C ATOM 2196 O GLU B 40 -16.849 7.269 4.469 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.744 5.021 5.108 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.437 4.433 5.642 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.563 3.934 7.068 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.320 4.731 7.999 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -17.905 2.747 7.254 1.00 2.42 O ATOM 0 H GLU B 40 -18.679 3.936 2.825 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.368 6.594 3.782 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -19.158 5.689 5.863 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.460 4.210 4.974 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -17.123 3.610 4.999 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.655 5.191 5.594 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.507 6.105 2.566 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.170 6.630 2.352 1.00 0.50 C ATOM 2210 C LEU B 41 -15.202 8.006 1.716 1.00 0.55 C ATOM 2211 O LEU B 41 -15.191 9.012 2.420 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.347 5.680 1.479 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.150 4.263 2.009 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.923 3.634 1.369 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.033 4.249 3.528 1.00 0.66 C ATOM 0 H LEU B 41 -16.825 5.458 1.845 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.700 6.717 3.332 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.825 5.615 0.502 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.364 6.125 1.324 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.028 3.675 1.743 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.790 2.623 1.753 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.055 3.597 0.288 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.042 4.231 1.606 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.894 3.224 3.873 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.179 4.854 3.833 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.943 4.659 3.967 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.244 8.047 0.370 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.250 9.309 -0.374 1.00 0.62 C ATOM 2229 C ALA B 42 -16.095 10.337 0.334 1.00 0.68 C ATOM 2230 O ALA B 42 -15.736 11.503 0.429 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.757 9.097 -1.783 1.00 0.65 C ATOM 0 H ALA B 42 -15.274 7.215 -0.220 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.225 9.676 -0.427 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.753 10.047 -2.318 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.111 8.387 -2.299 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.773 8.704 -1.749 1.00 0.65 H new ATOM 2237 N THR B 43 -17.190 9.860 0.891 1.00 0.65 N ATOM 2238 CA THR B 43 -18.106 10.706 1.611 1.00 0.73 C ATOM 2239 C THR B 43 -17.359 11.534 2.657 1.00 0.78 C ATOM 2240 O THR B 43 -17.334 12.764 2.600 1.00 0.85 O ATOM 2241 CB THR B 43 -19.204 9.874 2.295 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.658 8.638 2.776 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.343 9.597 1.326 1.00 0.76 C ATOM 0 H THR B 43 -17.465 8.878 0.855 1.00 0.65 H new ATOM 0 HA THR B 43 -18.576 11.377 0.892 1.00 0.73 H new ATOM 0 HB THR B 43 -19.595 10.443 3.139 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.937 7.906 2.187 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.111 9.007 1.826 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.772 10.541 0.989 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.963 9.044 0.467 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.753 10.833 3.609 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.986 11.459 4.681 1.00 0.84 C ATOM 2253 C GLN B 44 -14.572 11.809 4.233 1.00 0.83 C ATOM 2254 O GLN B 44 -14.069 12.887 4.549 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.945 10.518 5.885 1.00 0.87 C ATOM 2256 CG GLN B 44 -15.078 11.019 7.027 1.00 1.54 C ATOM 2257 CD GLN B 44 -15.236 10.190 8.287 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -16.081 10.482 9.134 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -14.421 9.151 8.419 1.00 2.74 N ATOM 0 H GLN B 44 -16.779 9.815 3.660 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.477 12.392 4.957 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -16.961 10.368 6.251 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.576 9.545 5.561 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -14.033 11.007 6.717 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -15.334 12.056 7.244 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -13.735 8.945 7.693 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -14.480 8.558 9.247 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.924 10.903 3.508 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.576 11.152 3.038 1.00 0.82 C ATOM 2270 C GLN B 45 -12.577 12.285 2.032 1.00 0.78 C ATOM 2271 O GLN B 45 -11.519 12.836 1.725 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.962 9.877 2.475 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.391 9.533 1.067 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.219 9.178 0.186 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.780 9.980 -0.629 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.696 7.978 0.371 1.00 1.45 N ATOM 0 H GLN B 45 -14.311 9.999 3.238 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.952 11.461 3.877 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -10.877 9.974 2.495 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -12.220 9.046 3.131 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -13.089 8.696 1.096 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.925 10.379 0.635 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.100 7.347 1.063 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -9.889 7.683 -0.179 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.763 12.638 1.497 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.866 13.758 0.586 1.00 0.78 C ATOM 2287 C LEU B 46 -13.077 14.913 1.179 1.00 0.74 C ATOM 2288 O LEU B 46 -11.924 15.054 0.824 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.328 14.172 0.297 1.00 0.83 C ATOM 2290 CG LEU B 46 -15.971 13.718 -1.036 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -16.819 14.843 -1.610 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -14.938 13.270 -2.064 1.00 1.30 C ATOM 0 H LEU B 46 -14.644 12.160 1.687 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.455 13.463 -0.380 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.947 13.794 1.110 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.379 15.260 0.337 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.597 12.854 -0.813 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.269 14.517 -2.548 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.605 15.104 -0.902 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -16.191 15.715 -1.792 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.445 12.963 -2.979 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.262 14.096 -2.284 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.368 12.431 -1.665 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.572 15.703 2.164 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.719 16.781 2.632 1.00 0.80 C ATOM 2306 C PRO B 47 -11.520 16.250 3.380 1.00 0.77 C ATOM 2307 O PRO B 47 -11.540 16.026 4.590 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.621 17.552 3.599 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.009 17.066 3.336 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.860 15.648 2.868 1.00 0.90 C ATOM 0 HA PRO B 47 -12.329 17.383 1.811 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.332 17.369 4.634 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -13.545 18.626 3.432 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -15.620 17.119 4.237 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.502 17.678 2.581 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.843 14.942 3.698 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.674 15.346 2.209 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.487 16.047 2.601 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.195 15.627 3.056 1.00 0.75 C ATOM 2320 C HIS B 48 -8.245 16.813 3.079 1.00 0.83 C ATOM 2321 O HIS B 48 -8.668 17.958 3.237 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.748 14.512 2.145 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.445 13.251 2.893 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.407 12.312 3.192 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.295 12.793 3.442 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.868 11.336 3.894 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.587 11.602 4.060 1.00 1.59 N ATOM 0 H HIS B 48 -10.531 16.177 1.590 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.217 15.250 4.079 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.526 14.316 1.407 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.861 14.828 1.597 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.387 12.364 2.913 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -6.329 13.274 3.401 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.387 10.466 4.269 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -6.921 11.018 4.566 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.956 16.534 2.915 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.970 17.592 2.811 1.00 1.00 C ATOM 2338 C LEU B 49 -5.945 18.086 1.358 1.00 0.98 C ATOM 2339 O LEU B 49 -6.633 19.043 1.005 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.582 17.106 3.248 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.428 16.843 4.748 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -5.396 15.764 5.206 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -2.995 16.449 5.075 1.00 2.44 C ATOM 0 H LEU B 49 -6.576 15.589 2.852 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.242 18.410 3.477 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.349 16.188 2.708 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -3.843 17.849 2.947 1.00 1.10 H new ATOM 0 HG LEU B 49 -4.664 17.763 5.283 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -5.270 15.592 6.275 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -6.419 16.085 5.008 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -5.194 14.840 4.664 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -2.903 16.266 6.146 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.733 15.543 4.528 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -2.321 17.255 4.786 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.138 17.423 0.522 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.029 17.754 -0.905 1.00 1.01 C ATOM 2357 C LEU B 50 -6.105 17.035 -1.743 1.00 0.92 C ATOM 2358 O LEU B 50 -5.933 16.847 -2.947 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.635 17.387 -1.424 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.273 17.970 -2.793 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.316 19.490 -2.753 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.900 17.485 -3.232 1.00 2.24 C ATOM 0 H LEU B 50 -4.545 16.646 0.813 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.188 18.827 -1.008 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.895 17.722 -0.697 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.560 16.301 -1.478 1.00 1.11 H new ATOM 0 HG LEU B 50 -4.008 17.625 -3.520 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.056 19.887 -3.734 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.320 19.819 -2.483 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.603 19.855 -2.013 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.659 17.909 -4.207 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.153 17.801 -2.504 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.903 16.397 -3.300 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.209 16.645 -1.109 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.294 15.927 -1.777 1.00 0.80 C ATOM 2376 C LYS B 51 -8.568 16.447 -3.188 1.00 0.89 C ATOM 2377 O LYS B 51 -8.353 17.621 -3.492 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.561 16.031 -0.934 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.763 15.327 -1.533 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.941 16.281 -1.771 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.195 17.226 -0.598 1.00 2.68 C ATOM 2382 NZ LYS B 51 -12.131 18.658 -1.005 1.00 3.58 N ATOM 0 H LYS B 51 -7.377 16.818 -0.118 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.984 14.887 -1.877 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.363 15.613 0.053 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.804 17.084 -0.791 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.477 14.865 -2.478 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.079 14.523 -0.868 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.749 16.869 -2.668 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.841 15.696 -1.960 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -13.175 17.015 -0.169 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.458 17.039 0.183 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -11.819 19.235 -0.198 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -11.456 18.766 -1.789 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -13.073 18.974 -1.313 1.00 3.58 H new ATOM 2396 N ASP B 52 -9.052 15.543 -4.041 1.00 0.92 N ATOM 2397 CA ASP B 52 -9.370 15.861 -5.427 1.00 1.17 C ATOM 2398 C ASP B 52 -10.872 16.099 -5.642 1.00 1.24 C ATOM 2399 O ASP B 52 -11.263 16.572 -6.707 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.892 14.730 -6.339 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.385 14.572 -6.321 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.871 13.872 -5.423 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -6.717 15.152 -7.203 1.00 2.35 O ATOM 0 H ASP B 52 -9.233 14.572 -3.787 1.00 0.92 H new ATOM 0 HA ASP B 52 -8.853 16.788 -5.675 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -9.357 13.795 -6.027 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -9.222 14.925 -7.359 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.706 15.739 -4.652 1.00 1.14 N ATOM 2409 CA VAL B 53 -13.144 15.932 -4.725 1.00 1.27 C ATOM 2410 C VAL B 53 -13.791 14.889 -5.618 1.00 1.24 C ATOM 2411 O VAL B 53 -14.282 15.181 -6.707 1.00 1.46 O ATOM 2412 CB VAL B 53 -13.500 17.349 -5.193 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -15.004 17.515 -5.377 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -12.969 18.376 -4.208 1.00 1.92 C ATOM 0 H VAL B 53 -11.391 15.307 -3.783 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.540 15.808 -3.717 1.00 1.27 H new ATOM 0 HB VAL B 53 -13.029 17.510 -6.162 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -15.220 18.531 -5.709 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -15.360 16.806 -6.124 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -15.509 17.328 -4.430 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.228 19.377 -4.551 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -13.412 18.203 -3.227 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -11.885 18.286 -4.137 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.747 13.656 -5.141 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.349 12.542 -5.849 1.00 1.09 C ATOM 2426 C GLY B 54 -15.699 12.875 -6.433 1.00 1.13 C ATOM 2427 O GLY B 54 -16.678 13.043 -5.708 1.00 1.23 O ATOM 0 H GLY B 54 -13.298 13.402 -4.261 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.681 12.224 -6.650 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.453 11.698 -5.167 1.00 1.09 H new ATOM 2431 N SER B 55 -15.744 12.985 -7.744 1.00 1.16 N ATOM 2432 CA SER B 55 -16.981 13.280 -8.429 1.00 1.24 C ATOM 2433 C SER B 55 -18.004 12.201 -8.112 1.00 1.10 C ATOM 2434 O SER B 55 -17.676 11.014 -8.096 1.00 1.09 O ATOM 2435 CB SER B 55 -16.712 13.364 -9.921 1.00 1.40 C ATOM 2436 OG SER B 55 -17.753 14.048 -10.600 1.00 1.62 O ATOM 0 H SER B 55 -14.936 12.874 -8.356 1.00 1.16 H new ATOM 0 HA SER B 55 -17.383 14.237 -8.095 1.00 1.24 H new ATOM 0 HB2 SER B 55 -15.766 13.877 -10.093 1.00 1.40 H new ATOM 0 HB3 SER B 55 -16.608 12.359 -10.330 1.00 1.40 H new ATOM 0 HG SER B 55 -18.319 13.400 -11.069 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.241 12.610 -7.853 1.00 1.15 N ATOM 2443 CA LEU B 56 -20.303 11.669 -7.501 1.00 1.10 C ATOM 2444 C LEU B 56 -20.256 10.409 -8.360 1.00 0.98 C ATOM 2445 O LEU B 56 -20.642 9.330 -7.910 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.675 12.343 -7.618 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.031 12.865 -9.014 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.679 11.771 -9.851 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.950 14.073 -8.912 1.00 2.83 C ATOM 0 H LEU B 56 -19.535 13.586 -7.880 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.141 11.366 -6.466 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.439 11.630 -7.309 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.713 13.176 -6.916 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.109 13.172 -9.509 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.923 12.164 -10.838 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -21.988 10.935 -9.955 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.591 11.430 -9.361 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.193 14.431 -9.913 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -23.867 13.790 -8.395 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -22.449 14.865 -8.355 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.781 10.544 -9.592 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.679 9.395 -10.482 1.00 1.01 C ATOM 2463 C ASP B 57 -18.447 8.588 -10.172 1.00 0.95 C ATOM 2464 O ASP B 57 -18.471 7.360 -10.150 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.627 9.808 -11.945 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.805 11.061 -12.178 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -19.315 12.166 -11.900 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -17.650 10.936 -12.638 1.00 2.19 O ATOM 0 H ASP B 57 -19.464 11.426 -9.994 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.574 8.796 -10.316 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.209 8.991 -12.533 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.642 9.973 -12.306 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.373 9.302 -9.932 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.092 8.689 -9.614 1.00 0.95 C ATOM 2475 C GLU B 58 -16.291 7.727 -8.467 1.00 0.87 C ATOM 2476 O GLU B 58 -15.668 6.669 -8.395 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.061 9.753 -9.235 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.634 9.232 -9.213 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.608 10.346 -9.198 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.800 11.320 -8.440 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -11.615 10.251 -9.951 1.00 2.29 O ATOM 0 H GLU B 58 -17.355 10.322 -9.950 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.717 8.157 -10.488 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.127 10.580 -9.942 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.308 10.154 -8.252 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.494 8.602 -8.334 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.468 8.601 -10.086 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.188 8.121 -7.578 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.529 7.321 -6.430 1.00 0.76 C ATOM 2490 C LYS B 59 -18.426 6.159 -6.823 1.00 0.80 C ATOM 2491 O LYS B 59 -18.372 5.095 -6.213 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.196 8.196 -5.373 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.220 9.144 -4.697 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.652 10.593 -4.832 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.861 10.894 -3.961 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.278 12.320 -4.055 1.00 2.67 N ATOM 0 H LYS B 59 -17.695 9.004 -7.638 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.615 6.900 -6.011 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.995 8.774 -5.837 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.659 7.559 -4.619 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.137 8.887 -3.641 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.230 9.018 -5.135 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -16.827 11.248 -4.551 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.889 10.808 -5.874 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.691 10.254 -4.260 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.629 10.652 -2.924 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -19.373 12.718 -3.099 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -18.561 12.857 -4.584 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.191 12.383 -4.548 1.00 2.67 H new ATOM 2510 N MET B 60 -19.254 6.367 -7.840 1.00 0.86 N ATOM 2511 CA MET B 60 -20.153 5.315 -8.307 1.00 0.92 C ATOM 2512 C MET B 60 -19.433 4.356 -9.251 1.00 0.96 C ATOM 2513 O MET B 60 -19.808 3.191 -9.377 1.00 1.01 O ATOM 2514 CB MET B 60 -21.375 5.921 -8.999 1.00 1.00 C ATOM 2515 CG MET B 60 -22.288 6.687 -8.055 1.00 1.01 C ATOM 2516 SD MET B 60 -23.024 5.630 -6.793 1.00 1.74 S ATOM 2517 CE MET B 60 -23.987 6.824 -5.870 1.00 2.31 C ATOM 0 H MET B 60 -19.323 7.245 -8.354 1.00 0.86 H new ATOM 0 HA MET B 60 -20.487 4.750 -7.437 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.039 6.591 -9.791 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.945 5.124 -9.476 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.720 7.482 -7.572 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.080 7.166 -8.630 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.503 6.321 -5.052 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.326 7.590 -5.465 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.719 7.289 -6.530 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.403 4.861 -9.915 1.00 0.97 N ATOM 2528 CA LYS B 61 -17.617 4.067 -10.849 1.00 1.02 C ATOM 2529 C LYS B 61 -16.602 3.221 -10.105 1.00 0.96 C ATOM 2530 O LYS B 61 -16.662 1.993 -10.133 1.00 0.92 O ATOM 2531 CB LYS B 61 -16.938 4.982 -11.864 1.00 1.09 C ATOM 2532 CG LYS B 61 -15.785 4.344 -12.621 1.00 1.55 C ATOM 2533 CD LYS B 61 -15.014 5.377 -13.428 1.00 2.08 C ATOM 2534 CE LYS B 61 -13.894 4.735 -14.231 1.00 2.60 C ATOM 2535 NZ LYS B 61 -14.412 3.738 -15.207 1.00 3.16 N ATOM 0 H LYS B 61 -18.090 5.827 -9.822 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.280 3.390 -11.388 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -17.684 5.321 -12.583 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -16.569 5.867 -11.346 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -15.112 3.853 -11.917 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.168 3.571 -13.287 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -15.695 5.896 -14.102 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -14.597 6.128 -12.756 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -13.339 5.508 -14.762 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -13.193 4.249 -13.552 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -13.670 3.512 -15.899 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -14.691 2.872 -14.703 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -15.238 4.133 -15.701 1.00 3.16 H new ATOM 2549 N THR B 62 -15.666 3.884 -9.432 1.00 0.99 N ATOM 2550 CA THR B 62 -14.653 3.176 -8.661 1.00 0.96 C ATOM 2551 C THR B 62 -15.320 2.135 -7.769 1.00 0.87 C ATOM 2552 O THR B 62 -14.719 1.138 -7.391 1.00 0.84 O ATOM 2553 CB THR B 62 -13.821 4.143 -7.802 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.207 5.127 -8.639 1.00 1.13 O ATOM 2555 CG2 THR B 62 -12.755 3.396 -7.017 1.00 1.05 C ATOM 0 H THR B 62 -15.589 4.901 -9.405 1.00 0.99 H new ATOM 0 HA THR B 62 -13.978 2.684 -9.361 1.00 0.96 H new ATOM 0 HB THR B 62 -14.488 4.632 -7.092 1.00 1.03 H new ATOM 0 HG1 THR B 62 -13.829 5.871 -8.780 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.181 4.103 -6.418 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.230 2.667 -6.361 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.088 2.881 -7.708 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.580 2.396 -7.438 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.386 1.490 -6.638 1.00 0.83 C ATOM 2565 C LEU B 63 -17.255 0.063 -7.161 1.00 0.80 C ATOM 2566 O LEU B 63 -16.763 -0.826 -6.466 1.00 0.89 O ATOM 2567 CB LEU B 63 -18.833 1.968 -6.716 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.853 1.229 -5.856 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.033 2.139 -5.553 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.339 -0.039 -6.546 1.00 1.41 C ATOM 0 H LEU B 63 -17.070 3.245 -7.719 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.049 1.488 -5.602 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -18.857 3.022 -6.440 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.156 1.903 -7.755 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.367 0.943 -4.923 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.757 1.604 -4.938 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.684 3.021 -5.017 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.505 2.445 -6.486 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.065 -0.544 -5.909 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -20.808 0.220 -7.495 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -19.493 -0.701 -6.728 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.692 -0.142 -8.396 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.615 -1.453 -9.024 1.00 0.81 C ATOM 2584 C ASP B 64 -16.166 -1.840 -9.307 1.00 0.81 C ATOM 2585 O ASP B 64 -15.869 -3.004 -9.562 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.416 -1.458 -10.322 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.896 -1.232 -10.086 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.620 -2.223 -9.858 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.331 -0.062 -10.130 1.00 1.96 O ATOM 0 H ASP B 64 -18.104 0.584 -8.983 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.037 -2.185 -8.336 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.034 -0.682 -10.985 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.273 -2.411 -10.831 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.271 -0.854 -9.289 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.853 -1.103 -9.523 1.00 0.87 C ATOM 2596 C VAL B 65 -13.198 -1.623 -8.249 1.00 0.77 C ATOM 2597 O VAL B 65 -12.785 -2.780 -8.173 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.126 0.175 -9.983 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.659 -0.111 -10.262 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.806 0.760 -11.212 1.00 1.07 C ATOM 0 H VAL B 65 -15.504 0.124 -9.115 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.773 -1.849 -10.313 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.179 0.910 -9.179 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.165 0.805 -10.585 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.181 -0.480 -9.354 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.578 -0.863 -11.046 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.280 1.662 -11.524 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.786 0.030 -12.021 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.840 1.007 -10.972 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.101 -0.749 -7.255 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.527 -1.094 -5.959 1.00 0.67 C ATOM 2612 C ASN B 66 -13.549 -1.789 -5.067 1.00 0.56 C ATOM 2613 O ASN B 66 -13.646 -1.480 -3.879 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.058 0.166 -5.250 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.112 0.993 -6.100 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.175 0.960 -7.329 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.226 1.740 -5.449 1.00 1.10 N ATOM 0 H ASN B 66 -13.417 0.218 -7.324 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.690 -1.769 -6.140 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.924 0.772 -4.982 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.560 -0.108 -4.320 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.564 2.315 -5.969 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.208 1.738 -4.429 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.306 -2.723 -5.618 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.314 -3.408 -4.835 1.00 0.68 C ATOM 2626 C GLN B 67 -14.669 -4.343 -3.828 1.00 0.61 C ATOM 2627 O GLN B 67 -14.953 -4.289 -2.638 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.286 -4.157 -5.751 1.00 0.90 C ATOM 2629 CG GLN B 67 -15.777 -5.477 -6.314 1.00 0.74 C ATOM 2630 CD GLN B 67 -14.618 -5.312 -7.285 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -13.623 -6.197 -7.192 1.00 2.01 O flip ATOM 2632 NE2 GLN B 67 -14.597 -4.385 -8.086 1.00 1.44 N flip ATOM 0 H GLN B 67 -14.242 -3.020 -6.592 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.885 -2.666 -4.277 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.204 -4.350 -5.196 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -16.548 -3.504 -6.584 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.463 -6.118 -5.490 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.596 -5.987 -6.821 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -15.377 -3.729 -8.127 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.800 -4.270 -8.712 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.795 -5.198 -4.310 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.113 -6.141 -3.465 1.00 0.62 C ATOM 2643 C ASP B 68 -11.834 -5.550 -2.904 1.00 0.59 C ATOM 2644 O ASP B 68 -10.966 -6.295 -2.458 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.837 -7.436 -4.214 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.110 -8.205 -4.507 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.862 -8.492 -3.554 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.357 -8.519 -5.690 1.00 1.50 O ATOM 0 H ASP B 68 -13.540 -5.256 -5.296 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.766 -6.371 -2.623 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.326 -7.211 -5.150 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.164 -8.059 -3.625 1.00 0.73 H new ATOM 2653 N SER B 69 -11.735 -4.205 -2.890 1.00 0.56 N ATOM 2654 CA SER B 69 -10.543 -3.513 -2.389 1.00 0.58 C ATOM 2655 C SER B 69 -9.989 -4.233 -1.179 1.00 0.62 C ATOM 2656 O SER B 69 -8.782 -4.277 -0.962 1.00 0.74 O ATOM 2657 CB SER B 69 -10.881 -2.057 -2.048 1.00 0.66 C ATOM 2658 OG SER B 69 -10.189 -1.613 -0.892 1.00 1.74 O ATOM 0 H SER B 69 -12.471 -3.581 -3.222 1.00 0.56 H new ATOM 0 HA SER B 69 -9.780 -3.515 -3.167 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.626 -1.417 -2.893 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.955 -1.961 -1.888 1.00 0.66 H new ATOM 0 HG SER B 69 -10.045 -0.645 -0.948 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.897 -4.808 -0.415 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.534 -5.603 0.735 1.00 0.76 C ATOM 2666 C GLU B 70 -10.874 -7.030 0.419 1.00 0.77 C ATOM 2667 O GLU B 70 -11.792 -7.296 -0.357 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.280 -5.161 1.982 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.649 -6.309 2.944 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.446 -6.964 3.586 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.310 -6.619 3.200 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -10.636 -7.811 4.481 1.00 2.73 O ATOM 0 H GLU B 70 -11.902 -4.736 -0.575 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.470 -5.483 0.939 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.668 -4.436 2.519 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.193 -4.647 1.681 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.303 -5.922 3.725 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.216 -7.063 2.398 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.150 -7.949 1.003 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.425 -9.309 0.738 1.00 0.83 C ATOM 2681 C LEU B 71 -10.188 -10.261 1.920 1.00 0.81 C ATOM 2682 O LEU B 71 -9.364 -10.021 2.786 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.580 -9.619 -0.451 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.379 -11.039 -0.764 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.479 -11.767 0.225 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.717 -11.663 -0.966 1.00 1.25 C ATOM 0 H LEU B 71 -9.383 -7.772 1.651 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.488 -9.466 0.553 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -10.027 -9.139 -1.321 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.602 -9.161 -0.302 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.813 -11.129 -1.691 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.379 -12.810 -0.074 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.496 -11.297 0.236 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.917 -11.715 1.222 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.594 -12.720 -1.200 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.308 -11.559 -0.056 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.230 -11.166 -1.790 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.993 -11.310 1.982 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.845 -12.352 2.980 1.00 0.80 C ATOM 2700 C ARG B 72 -10.420 -13.645 2.263 1.00 0.69 C ATOM 2701 O ARG B 72 -9.708 -14.478 2.821 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.155 -12.554 3.755 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.054 -11.320 3.815 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.276 -10.036 4.053 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.058 -10.260 4.832 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.053 -10.445 6.148 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.193 -10.444 6.825 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.906 -10.633 6.788 1.00 1.42 N ATOM 0 H ARG B 72 -11.770 -11.461 1.338 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.085 -12.068 3.707 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.711 -13.371 3.296 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.916 -12.863 4.773 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.610 -11.235 2.881 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.787 -11.448 4.611 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.014 -9.590 3.094 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.912 -9.320 4.575 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.165 -10.275 4.339 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.077 -10.301 6.336 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.186 -10.586 7.835 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.027 -10.636 6.270 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -9.903 -10.775 7.798 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.857 -13.777 0.998 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.515 -14.922 0.149 1.00 0.57 C ATOM 2724 C PHE B 73 -9.324 -14.641 -0.828 1.00 0.52 C ATOM 2725 O PHE B 73 -8.190 -14.758 -0.412 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.794 -15.477 -0.542 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.330 -14.770 -1.766 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.761 -13.456 -1.708 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -12.407 -15.433 -2.979 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.247 -12.812 -2.817 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -12.900 -14.795 -4.102 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.322 -13.481 -4.021 1.00 0.87 C ATOM 0 H PHE B 73 -11.457 -13.091 0.540 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.128 -15.714 0.790 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.595 -16.512 -0.820 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.590 -15.494 0.203 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.714 -12.926 -0.768 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -12.078 -16.459 -3.049 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -13.570 -11.784 -2.748 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -12.955 -15.323 -5.042 1.00 1.44 H new ATOM 0 HZ PHE B 73 -13.709 -12.981 -4.896 1.00 0.87 H new ATOM 2742 N SER B 74 -9.534 -14.232 -2.091 1.00 0.48 N ATOM 2743 CA SER B 74 -8.383 -14.042 -3.014 1.00 0.48 C ATOM 2744 C SER B 74 -8.250 -12.641 -3.584 1.00 0.42 C ATOM 2745 O SER B 74 -7.180 -12.252 -4.050 1.00 0.46 O ATOM 2746 CB SER B 74 -8.427 -15.027 -4.176 1.00 0.63 C ATOM 2747 OG SER B 74 -9.754 -15.240 -4.621 1.00 1.03 O ATOM 0 H SER B 74 -10.450 -14.031 -2.493 1.00 0.48 H new ATOM 0 HA SER B 74 -7.512 -14.223 -2.384 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.822 -14.648 -4.999 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.988 -15.976 -3.868 1.00 0.63 H new ATOM 0 HG SER B 74 -10.338 -15.392 -3.849 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.320 -11.894 -3.547 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.347 -10.521 -4.062 1.00 0.42 C ATOM 2755 C GLU B 75 -8.414 -9.531 -3.329 1.00 0.42 C ATOM 2756 O GLU B 75 -8.630 -8.323 -3.416 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.763 -9.987 -3.930 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.824 -10.863 -4.554 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.908 -10.707 -6.059 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -12.379 -9.647 -6.523 1.00 1.41 O ATOM 2761 OE2 GLU B 75 -11.503 -11.647 -6.777 1.00 1.60 O ATOM 0 H GLU B 75 -10.210 -12.207 -3.160 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.997 -10.584 -5.092 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.992 -9.858 -2.872 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.809 -8.999 -4.389 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.615 -11.905 -4.313 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.792 -10.622 -4.114 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.388 -10.007 -2.618 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.528 -9.106 -1.885 1.00 0.38 C ATOM 2770 C TYR B 76 -5.774 -8.214 -2.843 1.00 0.39 C ATOM 2771 O TYR B 76 -5.423 -7.082 -2.518 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.573 -9.861 -0.953 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.962 -9.841 0.509 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.770 -8.847 1.036 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.550 -10.856 1.352 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -7.149 -8.856 2.343 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.934 -10.883 2.673 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.738 -9.879 3.169 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.127 -9.896 4.489 1.00 0.54 O ATOM 0 H TYR B 76 -7.144 -10.995 -2.541 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.155 -8.481 -1.250 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.510 -10.898 -1.283 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.576 -9.433 -1.055 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.107 -8.046 0.395 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.916 -11.641 0.967 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.771 -8.063 2.732 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.608 -11.686 3.317 1.00 1.29 H new ATOM 0 HH TYR B 76 -8.102 -9.979 4.542 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.546 -8.724 -4.039 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.882 -7.933 -5.073 1.00 0.43 C ATOM 2791 C TRP B 77 -5.658 -6.639 -5.275 1.00 0.45 C ATOM 2792 O TRP B 77 -5.148 -5.687 -5.853 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.827 -8.699 -6.391 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.190 -9.022 -6.901 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.127 -8.127 -7.312 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.783 -10.317 -7.029 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.262 -8.781 -7.701 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.080 -10.130 -7.538 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.344 -11.616 -6.770 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.942 -11.196 -7.789 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.196 -12.671 -7.015 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.481 -12.457 -7.521 1.00 0.56 C ATOM 0 H TRP B 77 -5.805 -9.669 -4.322 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.861 -7.720 -4.755 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.292 -8.107 -7.133 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.263 -9.621 -6.252 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.994 -7.055 -7.329 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.109 -8.337 -8.056 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.351 -11.792 -6.383 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.936 -11.034 -8.180 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.865 -13.679 -6.813 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.124 -13.305 -7.705 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.915 -6.617 -4.825 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.717 -5.429 -4.941 1.00 0.47 C ATOM 2815 C ARG B 78 -7.174 -4.335 -4.030 1.00 0.49 C ATOM 2816 O ARG B 78 -7.310 -3.154 -4.334 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.182 -5.736 -4.633 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.817 -6.660 -5.651 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.606 -5.899 -6.707 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.876 -4.744 -7.227 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.030 -4.252 -8.457 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.901 -4.798 -9.299 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -9.315 -3.205 -8.844 1.00 2.83 N ATOM 0 H ARG B 78 -7.383 -7.408 -4.383 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.665 -5.068 -5.968 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.253 -6.189 -3.644 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.744 -4.803 -4.597 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.040 -7.251 -6.136 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.478 -7.360 -5.141 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.849 -6.572 -7.530 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -11.551 -5.565 -6.279 1.00 0.77 H new ATOM 0 HE ARG B 78 -9.206 -4.285 -6.610 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -11.459 -5.600 -9.007 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.012 -4.415 -10.238 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -8.648 -2.777 -8.201 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -9.431 -2.827 -9.784 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.537 -4.733 -2.921 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.947 -3.767 -2.002 1.00 0.45 C ATOM 2839 C LEU B 79 -4.705 -3.172 -2.641 1.00 0.46 C ATOM 2840 O LEU B 79 -4.277 -2.072 -2.293 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.525 -4.395 -0.658 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.163 -5.724 -0.216 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.069 -6.703 0.191 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.090 -5.499 0.967 1.00 0.88 C ATOM 0 H LEU B 79 -6.421 -5.708 -2.645 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.710 -3.014 -1.802 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.446 -4.544 -0.690 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.722 -3.661 0.123 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.737 -6.129 -1.049 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.521 -7.644 0.504 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.407 -6.882 -0.657 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.495 -6.284 1.017 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.533 -6.448 1.268 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.523 -5.084 1.800 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.880 -4.803 0.683 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.129 -3.915 -3.579 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.922 -3.502 -4.262 1.00 0.48 C ATOM 2858 C ILE B 80 -2.959 -2.007 -4.626 1.00 0.48 C ATOM 2859 O ILE B 80 -2.049 -1.257 -4.272 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.681 -4.409 -5.510 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.182 -4.565 -5.761 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.366 -3.865 -6.760 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.857 -5.413 -6.970 1.00 1.16 C ATOM 0 H ILE B 80 -4.490 -4.819 -3.883 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.077 -3.628 -3.585 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.121 -5.383 -5.295 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.739 -3.578 -5.890 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.719 -5.010 -4.880 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.169 -4.530 -7.601 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.441 -3.804 -6.589 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.978 -2.871 -6.984 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.225 -5.480 -7.087 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.270 -6.413 -6.835 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.291 -4.958 -7.861 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.008 -1.583 -5.324 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.135 -0.184 -5.698 1.00 0.49 C ATOM 2877 C GLY B 81 -4.730 0.679 -4.591 1.00 0.43 C ATOM 2878 O GLY B 81 -4.825 1.897 -4.738 1.00 0.43 O ATOM 0 H GLY B 81 -4.772 -2.182 -5.638 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.153 0.205 -5.966 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.761 -0.107 -6.587 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.134 0.051 -3.486 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.745 0.767 -2.373 1.00 0.39 C ATOM 2884 C GLU B 82 -4.707 1.409 -1.487 1.00 0.33 C ATOM 2885 O GLU B 82 -4.708 2.621 -1.276 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.552 -0.187 -1.536 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.669 -0.863 -2.303 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.690 0.122 -2.840 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.500 0.615 -3.972 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -9.676 0.404 -2.129 1.00 1.39 O ATOM 0 H GLU B 82 -5.047 -0.955 -3.341 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.380 1.545 -2.796 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.889 -0.949 -1.126 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.977 0.353 -0.690 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.244 -1.428 -3.133 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.169 -1.580 -1.652 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.821 0.574 -0.955 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.765 1.039 -0.079 1.00 0.35 C ATOM 2899 C LEU B 83 -2.036 2.190 -0.729 1.00 0.34 C ATOM 2900 O LEU B 83 -1.439 3.029 -0.054 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.792 -0.098 0.234 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.302 -1.127 1.243 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.414 -1.964 0.633 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.161 -2.012 1.720 1.00 1.31 C ATOM 0 H LEU B 83 -3.818 -0.433 -1.120 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.205 1.380 0.858 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.548 -0.613 -0.695 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.865 0.332 0.613 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.708 -0.597 2.105 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.765 -2.691 1.365 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.240 -1.315 0.341 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.036 -2.487 -0.245 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.540 -2.739 2.438 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.726 -2.535 0.869 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.398 -1.397 2.196 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.096 2.227 -2.052 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.452 3.301 -2.781 1.00 0.37 C ATOM 2918 C ALA B 84 -2.278 4.575 -2.724 1.00 0.41 C ATOM 2919 O ALA B 84 -1.737 5.681 -2.748 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.212 2.906 -4.216 1.00 0.41 C ATOM 0 H ALA B 84 -2.576 1.538 -2.631 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.491 3.492 -2.304 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.728 3.728 -4.743 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.570 2.026 -4.249 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.164 2.679 -4.695 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.596 4.413 -2.648 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.511 5.550 -2.564 1.00 0.51 C ATOM 2928 C LYS B 85 -4.034 6.538 -1.534 1.00 0.50 C ATOM 2929 O LYS B 85 -4.385 7.694 -1.591 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.920 5.069 -2.243 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.437 4.052 -3.247 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.835 3.567 -2.899 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.942 3.123 -1.445 1.00 1.56 C ATOM 2934 NZ LYS B 85 -9.321 2.678 -1.096 1.00 2.69 N ATOM 0 H LYS B 85 -4.056 3.503 -2.643 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.531 6.054 -3.530 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.930 4.627 -1.247 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.595 5.925 -2.219 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -6.445 4.497 -4.242 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.757 3.201 -3.284 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.553 4.365 -3.088 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -8.103 2.736 -3.552 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.241 2.308 -1.262 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.651 3.946 -0.792 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.636 3.167 -0.234 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.967 2.905 -1.878 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.323 1.651 -0.932 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.270 6.060 -0.576 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.705 6.919 0.446 1.00 0.45 C ATOM 2950 C GLU B 86 -1.416 7.548 -0.049 1.00 0.44 C ATOM 2951 O GLU B 86 -1.185 8.749 0.098 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.438 6.114 1.700 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.555 5.151 2.009 1.00 0.98 C ATOM 2954 CD GLU B 86 -4.898 5.850 2.098 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -4.954 6.950 2.680 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -5.892 5.301 1.577 1.00 2.90 O ATOM 0 H GLU B 86 -3.024 5.075 -0.482 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.417 7.713 0.673 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.506 5.561 1.583 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.302 6.792 2.543 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.596 4.383 1.236 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.347 4.644 2.951 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.579 6.704 -0.639 1.00 0.44 N ATOM 2964 CA VAL B 87 0.712 7.120 -1.152 1.00 0.46 C ATOM 2965 C VAL B 87 0.600 7.911 -2.459 1.00 0.46 C ATOM 2966 O VAL B 87 1.595 8.441 -2.953 1.00 0.54 O ATOM 2967 CB VAL B 87 1.633 5.894 -1.352 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.924 6.288 -2.041 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.912 5.230 -0.011 1.00 0.81 C ATOM 0 H VAL B 87 -0.780 5.713 -0.773 1.00 0.44 H new ATOM 0 HA VAL B 87 1.147 7.787 -0.408 1.00 0.46 H new ATOM 0 HB VAL B 87 1.123 5.178 -1.997 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.552 5.406 -2.169 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.699 6.718 -3.017 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.451 7.024 -1.433 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.561 4.367 -0.160 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.402 5.942 0.653 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.973 4.904 0.436 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.603 8.004 -3.011 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.802 8.722 -4.264 1.00 0.51 C ATOM 2981 C ARG B 88 -0.641 10.229 -4.084 1.00 0.50 C ATOM 2982 O ARG B 88 0.320 10.814 -4.576 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.175 8.387 -4.844 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.305 8.719 -6.321 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.684 8.366 -6.856 1.00 1.33 C ATOM 2986 NE ARG B 88 -4.733 9.177 -6.245 1.00 1.83 N ATOM 2987 CZ ARG B 88 -5.981 9.224 -6.695 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -6.335 8.502 -7.751 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -6.878 9.990 -6.091 1.00 3.50 N ATOM 0 H ARG B 88 -1.449 7.595 -2.615 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.032 8.399 -4.965 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.373 7.325 -4.699 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.938 8.932 -4.288 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.116 9.782 -6.473 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.546 8.176 -6.884 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.700 8.507 -7.937 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.886 7.311 -6.669 1.00 1.33 H new ATOM 0 HE ARG B 88 -4.494 9.738 -5.428 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.648 7.910 -8.218 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -7.294 8.539 -8.096 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -6.610 10.545 -5.278 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -7.836 10.024 -6.439 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.575 10.856 -3.381 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.506 12.299 -3.151 1.00 0.49 C ATOM 3005 C LYS B 89 -0.344 12.630 -2.234 1.00 0.48 C ATOM 3006 O LYS B 89 0.240 13.711 -2.303 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.799 12.817 -2.527 1.00 0.56 C ATOM 3008 CG LYS B 89 -2.993 12.417 -1.065 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.274 11.642 -0.888 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.094 10.209 -1.293 1.00 2.46 C ATOM 3011 NZ LYS B 89 -4.602 9.946 -2.671 1.00 3.29 N ATOM 0 H LYS B 89 -2.383 10.396 -2.962 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.361 12.783 -4.117 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.814 13.904 -2.600 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.644 12.447 -3.108 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.148 11.813 -0.733 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.013 13.309 -0.439 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.593 11.692 0.153 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.064 12.096 -1.486 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.037 9.948 -1.241 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -4.616 9.565 -0.586 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -4.535 8.929 -2.877 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.595 10.249 -2.739 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -4.030 10.477 -3.359 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.025 11.683 -1.370 1.00 0.47 N ATOM 3026 CA GLU B 90 1.048 11.839 -0.419 1.00 0.52 C ATOM 3027 C GLU B 90 2.401 11.943 -1.110 1.00 0.56 C ATOM 3028 O GLU B 90 3.404 12.268 -0.476 1.00 0.62 O ATOM 3029 CB GLU B 90 1.012 10.674 0.558 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.054 10.847 1.620 1.00 0.62 C ATOM 3031 CD GLU B 90 0.237 12.022 2.532 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.037 11.857 3.477 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.334 13.109 2.300 1.00 1.93 O ATOM 0 H GLU B 90 -0.506 10.785 -1.312 1.00 0.47 H new ATOM 0 HA GLU B 90 0.908 12.772 0.126 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.830 9.749 0.011 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.986 10.574 1.037 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.022 10.991 1.141 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.125 9.936 2.214 1.00 0.62 H new ATOM 3040 N LYS B 91 2.433 11.666 -2.412 1.00 0.54 N ATOM 3041 CA LYS B 91 3.668 11.760 -3.165 1.00 0.61 C ATOM 3042 C LYS B 91 4.126 13.208 -3.249 1.00 0.63 C ATOM 3043 O LYS B 91 5.282 13.526 -2.971 1.00 0.70 O ATOM 3044 CB LYS B 91 3.496 11.176 -4.565 1.00 0.62 C ATOM 3045 CG LYS B 91 2.753 12.080 -5.537 1.00 0.61 C ATOM 3046 CD LYS B 91 2.582 11.417 -6.894 1.00 0.67 C ATOM 3047 CE LYS B 91 1.728 12.264 -7.824 1.00 0.70 C ATOM 3048 NZ LYS B 91 2.272 13.641 -7.975 1.00 1.38 N ATOM 0 H LYS B 91 1.621 11.377 -2.958 1.00 0.54 H new ATOM 0 HA LYS B 91 4.430 11.180 -2.645 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.481 10.953 -4.976 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.961 10.229 -4.487 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.774 12.330 -5.127 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.299 13.016 -5.654 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.560 11.252 -7.346 1.00 0.67 H new ATOM 0 HD3 LYS B 91 2.121 10.438 -6.766 1.00 0.67 H new ATOM 0 HE2 LYS B 91 1.672 11.786 -8.802 1.00 0.70 H new ATOM 0 HE3 LYS B 91 0.711 12.316 -7.436 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.877 14.078 -8.832 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.011 14.210 -7.145 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 3.308 13.598 -8.054 1.00 1.38 H new ATOM 3062 N ALA B 92 3.204 14.082 -3.635 1.00 0.60 N ATOM 3063 CA ALA B 92 3.506 15.503 -3.759 1.00 0.65 C ATOM 3064 C ALA B 92 3.469 16.203 -2.411 1.00 0.63 C ATOM 3065 O ALA B 92 4.203 17.162 -2.190 1.00 0.69 O ATOM 3066 CB ALA B 92 2.546 16.168 -4.733 1.00 0.73 C ATOM 0 H ALA B 92 2.243 13.832 -3.867 1.00 0.60 H new ATOM 0 HA ALA B 92 4.520 15.593 -4.149 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.786 17.228 -4.813 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.639 15.699 -5.713 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.524 16.054 -4.372 1.00 0.73 H new ATOM 3072 N LEU B 93 2.613 15.731 -1.513 1.00 0.62 N ATOM 3073 CA LEU B 93 2.521 16.326 -0.187 1.00 0.65 C ATOM 3074 C LEU B 93 3.645 15.813 0.703 1.00 0.59 C ATOM 3075 O LEU B 93 4.013 16.452 1.688 1.00 0.63 O ATOM 3076 CB LEU B 93 1.172 16.029 0.457 1.00 0.74 C ATOM 3077 CG LEU B 93 0.915 16.796 1.754 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.540 17.226 1.848 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.302 15.950 2.958 1.00 0.95 C ATOM 0 H LEU B 93 1.980 14.948 -1.676 1.00 0.62 H new ATOM 0 HA LEU B 93 2.617 17.406 -0.298 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.382 16.267 -0.255 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.107 14.960 0.661 1.00 0.74 H new ATOM 0 HG LEU B 93 1.534 17.693 1.749 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.699 17.770 2.779 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.784 17.872 1.004 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.182 16.345 1.828 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.113 16.511 3.873 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.710 15.035 2.965 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.361 15.697 2.900 1.00 0.95 H new ATOM 3091 N GLY B 94 4.191 14.651 0.344 1.00 0.53 N ATOM 3092 CA GLY B 94 5.287 14.072 1.099 1.00 0.51 C ATOM 3093 C GLY B 94 6.358 15.080 1.417 1.00 0.52 C ATOM 3094 O GLY B 94 7.079 14.949 2.406 1.00 0.57 O ATOM 0 H GLY B 94 3.890 14.100 -0.460 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.902 13.649 2.027 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.722 13.250 0.531 1.00 0.51 H new ATOM 3098 N ILE B 95 6.464 16.083 0.556 1.00 0.53 N ATOM 3099 CA ILE B 95 7.476 17.108 0.687 1.00 0.57 C ATOM 3100 C ILE B 95 7.315 17.953 1.932 1.00 0.60 C ATOM 3101 O ILE B 95 7.057 19.153 1.853 1.00 0.67 O ATOM 3102 CB ILE B 95 7.503 18.016 -0.547 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.143 18.703 -0.742 1.00 1.32 C ATOM 3104 CG2 ILE B 95 7.898 17.201 -1.756 1.00 1.13 C ATOM 3105 CD1 ILE B 95 5.939 19.305 -2.119 1.00 1.68 C ATOM 0 H ILE B 95 5.850 16.204 -0.249 1.00 0.53 H new ATOM 0 HA ILE B 95 8.424 16.576 0.775 1.00 0.57 H new ATOM 0 HB ILE B 95 8.242 18.805 -0.407 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.352 17.977 -0.555 1.00 1.32 H new ATOM 0 HG13 ILE B 95 6.036 19.490 0.005 1.00 1.32 H new ATOM 0 HG21 ILE B 95 7.919 17.843 -2.637 1.00 1.13 H new ATOM 0 HG22 ILE B 95 8.887 16.771 -1.597 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.174 16.400 -1.907 1.00 1.13 H new ATOM 0 HD11 ILE B 95 4.954 19.769 -2.171 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.705 20.058 -2.304 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.011 18.521 -2.873 1.00 1.68 H new ATOM 3117 N ARG B 96 7.475 17.328 3.090 1.00 0.64 N ATOM 3118 CA ARG B 96 7.408 18.058 4.342 1.00 0.74 C ATOM 3119 C ARG B 96 8.403 19.215 4.285 1.00 0.82 C ATOM 3120 O ARG B 96 8.264 20.210 4.996 1.00 0.93 O ATOM 3121 CB ARG B 96 7.720 17.134 5.520 1.00 0.84 C ATOM 3122 CG ARG B 96 6.693 16.032 5.716 1.00 1.65 C ATOM 3123 CD ARG B 96 5.327 16.596 6.082 1.00 2.45 C ATOM 3124 NE ARG B 96 5.343 17.272 7.376 1.00 2.91 N ATOM 3125 CZ ARG B 96 4.313 17.958 7.861 1.00 3.85 C ATOM 3126 NH1 ARG B 96 3.195 18.069 7.157 1.00 4.47 N ATOM 3127 NH2 ARG B 96 4.401 18.536 9.052 1.00 4.48 N ATOM 0 H ARG B 96 7.650 16.328 3.186 1.00 0.64 H new ATOM 0 HA ARG B 96 6.401 18.449 4.487 1.00 0.74 H new ATOM 0 HB2 ARG B 96 8.700 16.683 5.367 1.00 0.84 H new ATOM 0 HB3 ARG B 96 7.781 17.729 6.431 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.611 15.444 4.802 1.00 1.65 H new ATOM 0 HG3 ARG B 96 7.030 15.356 6.501 1.00 1.65 H new ATOM 0 HD2 ARG B 96 5.006 17.296 5.311 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.595 15.788 6.104 1.00 2.45 H new ATOM 0 HE ARG B 96 6.192 17.215 7.939 1.00 2.91 H new ATOM 0 HH11 ARG B 96 3.124 17.627 6.240 1.00 4.47 H new ATOM 0 HH12 ARG B 96 2.406 18.596 7.532 1.00 4.47 H new ATOM 0 HH21 ARG B 96 5.260 18.454 9.596 1.00 4.48 H new ATOM 0 HH22 ARG B 96 3.610 19.062 9.423 1.00 4.48 H new ATOM 3141 N LYS B 97 9.414 19.068 3.416 1.00 0.82 N ATOM 3142 CA LYS B 97 10.416 20.102 3.222 1.00 0.94 C ATOM 3143 C LYS B 97 9.928 21.100 2.179 1.00 0.93 C ATOM 3144 O LYS B 97 10.266 20.996 1.000 1.00 0.98 O ATOM 3145 CB LYS B 97 11.770 19.516 2.776 1.00 1.07 C ATOM 3146 CG LYS B 97 11.907 18.007 2.944 1.00 1.00 C ATOM 3147 CD LYS B 97 11.724 17.582 4.389 1.00 1.56 C ATOM 3148 CE LYS B 97 11.203 16.158 4.480 1.00 1.83 C ATOM 3149 NZ LYS B 97 11.201 15.655 5.882 1.00 2.90 N ATOM 0 H LYS B 97 9.551 18.238 2.840 1.00 0.82 H new ATOM 0 HA LYS B 97 10.566 20.600 4.180 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.929 19.765 1.727 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.564 20.003 3.343 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.168 17.503 2.321 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.889 17.690 2.593 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.675 17.659 4.917 1.00 1.56 H new ATOM 0 HD3 LYS B 97 11.028 18.259 4.885 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.191 16.116 4.078 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.819 15.506 3.861 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 10.839 14.680 5.901 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.171 15.671 6.258 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.592 16.262 6.468 1.00 2.90 H new ATOM 3163 N LYS B 98 9.123 22.061 2.619 1.00 0.96 N ATOM 3164 CA LYS B 98 8.586 23.075 1.719 1.00 1.06 C ATOM 3165 C LYS B 98 9.206 24.439 2.005 1.00 1.21 C ATOM 3166 O LYS B 98 10.210 24.781 1.346 1.00 1.61 O ATOM 3167 CB LYS B 98 7.063 23.153 1.854 1.00 1.07 C ATOM 3168 CG LYS B 98 6.365 21.803 1.734 1.00 1.07 C ATOM 3169 CD LYS B 98 4.931 21.953 1.251 1.00 1.52 C ATOM 3170 CE LYS B 98 4.856 22.039 -0.266 1.00 2.00 C ATOM 3171 NZ LYS B 98 5.506 23.269 -0.794 1.00 2.73 N ATOM 3172 OXT LYS B 98 8.681 25.154 2.884 1.00 1.70 O ATOM 0 H LYS B 98 8.829 22.159 3.591 1.00 0.96 H new ATOM 0 HA LYS B 98 8.838 22.789 0.698 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.815 23.595 2.819 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.673 23.822 1.087 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.918 21.168 1.042 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.373 21.302 2.702 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.339 21.106 1.597 1.00 1.52 H new ATOM 0 HD3 LYS B 98 4.491 22.849 1.689 1.00 1.52 H new ATOM 0 HE2 LYS B 98 5.335 21.162 -0.702 1.00 2.00 H new ATOM 0 HE3 LYS B 98 3.812 22.020 -0.578 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 5.272 23.381 -1.801 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 5.164 24.097 -0.265 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 6.537 23.191 -0.685 1.00 2.73 H new