USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0.626) USER MOD Set 1.2: B 19 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 61 SER OG : rot 141:sc= 0.802 USER MOD Set 2.2: A 64 SER OG : rot 97:sc= 0.906 USER MOD Set 3.1: A 58 MET CE :methyl -128:sc= -2.92 (180deg=-9.19!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -176:sc= 0.033 (180deg=0.127) USER MOD Set 4.1: A 8 THR OG1 : rot 150:sc= 0 USER MOD Set 4.2: A 11 MET CE :methyl -105:sc= -2.07 (180deg=-5.86!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0254 (180deg=0) USER MOD Single : A 5 SER OG : rot 83:sc= 0.597 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.678 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 20 GLN :FLIP amide:sc= -6.27! C(o=-9.5!,f=-6.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.2!) USER MOD Single : A 23 MET CE :methyl -116:sc= -3.66! (180deg=-6.91!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.14 F(o=-1.1,f=-0.14) USER MOD Single : A 35 MET CE :methyl -165:sc= -5.47! (180deg=-6.83!) USER MOD Single : A 36 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot -150:sc= 0.00152 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= -0.249 (180deg=-1.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 46 MET CE :methyl -146:sc= -0.806 (180deg=-4.08!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.327 F(o=-1.2,f=-0.33) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 103:sc= 0.303 USER MOD Single : A 77 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.43) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.0623 (180deg=-0.431) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.34) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : B 1 VAL N :NH3+ 142:sc= -0.0612 (180deg=-0.269) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= -0.169 USER MOD Single : B 5 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.308 F(o=-1.2,f=-0.31) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.298 -12.260 -0.799 1.00 0.00 N ATOM 2 CA GLY A 1 -2.442 -12.396 0.144 1.00 0.00 C ATOM 3 C GLY A 1 -3.586 -13.203 -0.442 1.00 0.00 C ATOM 4 O GLY A 1 -3.362 -14.088 -1.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.412 -12.486 -0.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.426 -12.915 -1.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.256 -11.284 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.098 -12.873 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.804 -11.405 0.417 1.00 0.00 H new ATOM 10 N PRO A 2 -4.836 -12.924 -0.028 1.00 0.00 N ATOM 11 CA PRO A 2 -6.013 -13.643 -0.528 1.00 0.00 C ATOM 12 C PRO A 2 -6.284 -13.352 -2.001 1.00 0.00 C ATOM 13 O PRO A 2 -6.879 -12.329 -2.343 1.00 0.00 O ATOM 14 CB PRO A 2 -7.156 -13.116 0.344 1.00 0.00 C ATOM 15 CG PRO A 2 -6.692 -11.779 0.811 1.00 0.00 C ATOM 16 CD PRO A 2 -5.200 -11.887 0.955 1.00 0.00 C ATOM 0 HA PRO A 2 -5.885 -14.724 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.083 -13.037 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.353 -13.782 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.960 -11.001 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.158 -11.514 1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.706 -10.939 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.914 -12.174 1.967 1.00 0.00 H new ATOM 24 N LEU A 3 -5.844 -14.257 -2.870 1.00 0.00 N ATOM 25 CA LEU A 3 -6.035 -14.097 -4.306 1.00 0.00 C ATOM 26 C LEU A 3 -7.397 -14.632 -4.740 1.00 0.00 C ATOM 27 O LEU A 3 -7.684 -14.728 -5.934 1.00 0.00 O ATOM 28 CB LEU A 3 -4.925 -14.815 -5.075 1.00 0.00 C ATOM 29 CG LEU A 3 -4.342 -14.030 -6.251 1.00 0.00 C ATOM 30 CD1 LEU A 3 -2.842 -13.840 -6.075 1.00 0.00 C ATOM 31 CD2 LEU A 3 -4.643 -14.736 -7.565 1.00 0.00 C ATOM 0 H LEU A 3 -5.352 -15.110 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.994 -13.032 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.119 -15.054 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.316 -15.762 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.811 -13.046 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.444 -13.279 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.651 -13.290 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.355 -14.814 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.221 -14.163 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.202 -15.733 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.722 -14.818 -7.695 1.00 0.00 H new ATOM 43 N GLY A 4 -8.230 -14.979 -3.765 1.00 0.00 N ATOM 44 CA GLY A 4 -9.554 -15.493 -4.065 1.00 0.00 C ATOM 45 C GLY A 4 -10.610 -14.407 -4.049 1.00 0.00 C ATOM 46 O GLY A 4 -11.800 -14.689 -3.904 1.00 0.00 O ATOM 0 H GLY A 4 -8.012 -14.913 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.542 -15.971 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.816 -16.262 -3.338 1.00 0.00 H new ATOM 50 N SER A 5 -10.172 -13.161 -4.195 1.00 0.00 N ATOM 51 CA SER A 5 -11.082 -12.020 -4.186 1.00 0.00 C ATOM 52 C SER A 5 -11.724 -11.773 -5.561 1.00 0.00 C ATOM 53 O SER A 5 -12.910 -11.450 -5.628 1.00 0.00 O ATOM 54 CB SER A 5 -10.357 -10.760 -3.711 1.00 0.00 C ATOM 55 OG SER A 5 -9.272 -11.086 -2.859 1.00 0.00 O ATOM 0 H SER A 5 -9.190 -12.915 -4.321 1.00 0.00 H new ATOM 0 HA SER A 5 -11.885 -12.260 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.992 -10.200 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.056 -10.112 -3.183 1.00 0.00 H new ATOM 0 HG SER A 5 -8.489 -11.318 -3.401 1.00 0.00 H new ATOM 61 N PRO A 6 -10.984 -11.934 -6.689 1.00 0.00 N ATOM 62 CA PRO A 6 -9.562 -12.319 -6.723 1.00 0.00 C ATOM 63 C PRO A 6 -8.632 -11.206 -6.248 1.00 0.00 C ATOM 64 O PRO A 6 -7.842 -11.395 -5.323 1.00 0.00 O ATOM 65 CB PRO A 6 -9.296 -12.632 -8.204 1.00 0.00 C ATOM 66 CG PRO A 6 -10.637 -12.648 -8.860 1.00 0.00 C ATOM 67 CD PRO A 6 -11.501 -11.733 -8.047 1.00 0.00 C ATOM 0 HA PRO A 6 -9.368 -13.157 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.649 -11.879 -8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.793 -13.592 -8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.571 -12.307 -9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.049 -13.657 -8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.408 -10.695 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.556 -11.997 -8.123 1.00 0.00 H new ATOM 75 N LEU A 7 -8.714 -10.051 -6.905 1.00 0.00 N ATOM 76 CA LEU A 7 -7.865 -8.915 -6.565 1.00 0.00 C ATOM 77 C LEU A 7 -8.600 -7.924 -5.667 1.00 0.00 C ATOM 78 O LEU A 7 -9.695 -8.206 -5.178 1.00 0.00 O ATOM 79 CB LEU A 7 -7.392 -8.211 -7.840 1.00 0.00 C ATOM 80 CG LEU A 7 -6.169 -8.841 -8.509 1.00 0.00 C ATOM 81 CD1 LEU A 7 -6.308 -8.797 -10.024 1.00 0.00 C ATOM 82 CD2 LEU A 7 -4.896 -8.135 -8.069 1.00 0.00 C ATOM 0 H LEU A 7 -9.360 -9.879 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.001 -9.293 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.213 -8.198 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.162 -7.173 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.107 -9.884 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.429 -9.249 -10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.199 -9.349 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.396 -7.761 -10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.037 -8.597 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.948 -7.083 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.789 -8.218 -6.987 1.00 0.00 H new ATOM 94 N THR A 8 -8.015 -6.743 -5.492 1.00 0.00 N ATOM 95 CA THR A 8 -8.608 -5.713 -4.650 1.00 0.00 C ATOM 96 C THR A 8 -9.573 -4.856 -5.457 1.00 0.00 C ATOM 97 O THR A 8 -10.557 -4.346 -4.922 1.00 0.00 O ATOM 98 CB THR A 8 -7.517 -4.839 -4.026 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.056 -4.025 -2.998 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.827 -3.928 -5.019 1.00 0.00 C ATOM 0 H THR A 8 -7.130 -6.477 -5.923 1.00 0.00 H new ATOM 0 HA THR A 8 -9.163 -6.201 -3.849 1.00 0.00 H new ATOM 0 HB THR A 8 -6.779 -5.539 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.368 -3.855 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.067 -3.339 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.356 -4.528 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.560 -3.259 -5.470 1.00 0.00 H new ATOM 108 N ALA A 9 -9.302 -4.718 -6.752 1.00 0.00 N ATOM 109 CA ALA A 9 -10.194 -3.980 -7.634 1.00 0.00 C ATOM 110 C ALA A 9 -11.570 -4.631 -7.617 1.00 0.00 C ATOM 111 O ALA A 9 -12.598 -3.951 -7.627 1.00 0.00 O ATOM 112 CB ALA A 9 -9.638 -3.927 -9.047 1.00 0.00 C ATOM 0 H ALA A 9 -8.477 -5.106 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.279 -2.954 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.323 -3.370 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.667 -3.432 -9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.525 -4.941 -9.432 1.00 0.00 H new ATOM 118 N SER A 10 -11.573 -5.959 -7.547 1.00 0.00 N ATOM 119 CA SER A 10 -12.812 -6.716 -7.458 1.00 0.00 C ATOM 120 C SER A 10 -13.442 -6.504 -6.090 1.00 0.00 C ATOM 121 O SER A 10 -14.665 -6.439 -5.964 1.00 0.00 O ATOM 122 CB SER A 10 -12.552 -8.204 -7.699 1.00 0.00 C ATOM 123 OG SER A 10 -13.692 -8.838 -8.252 1.00 0.00 O ATOM 0 H SER A 10 -10.729 -6.531 -7.550 1.00 0.00 H new ATOM 0 HA SER A 10 -13.498 -6.362 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.703 -8.324 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.284 -8.686 -6.759 1.00 0.00 H new ATOM 0 HG SER A 10 -13.499 -9.788 -8.398 1.00 0.00 H new ATOM 129 N MET A 11 -12.597 -6.346 -5.070 1.00 0.00 N ATOM 130 CA MET A 11 -13.088 -6.086 -3.723 1.00 0.00 C ATOM 131 C MET A 11 -13.808 -4.748 -3.692 1.00 0.00 C ATOM 132 O MET A 11 -14.812 -4.592 -3.006 1.00 0.00 O ATOM 133 CB MET A 11 -11.946 -6.075 -2.705 1.00 0.00 C ATOM 134 CG MET A 11 -11.086 -7.327 -2.736 1.00 0.00 C ATOM 135 SD MET A 11 -10.606 -7.886 -1.090 1.00 0.00 S ATOM 136 CE MET A 11 -9.463 -6.593 -0.606 1.00 0.00 C ATOM 0 H MET A 11 -11.581 -6.393 -5.152 1.00 0.00 H new ATOM 0 HA MET A 11 -13.777 -6.887 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.314 -5.207 -2.891 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.364 -5.957 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.631 -8.124 -3.241 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.189 -7.132 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.442 -6.968 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.577 -5.738 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.674 -6.285 0.418 1.00 0.00 H new ATOM 146 N LEU A 12 -13.300 -3.795 -4.468 1.00 0.00 N ATOM 147 CA LEU A 12 -13.908 -2.474 -4.557 1.00 0.00 C ATOM 148 C LEU A 12 -15.389 -2.603 -4.881 1.00 0.00 C ATOM 149 O LEU A 12 -16.245 -2.086 -4.164 1.00 0.00 O ATOM 150 CB LEU A 12 -13.209 -1.647 -5.639 1.00 0.00 C ATOM 151 CG LEU A 12 -12.302 -0.520 -5.135 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.327 -1.034 -4.086 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.550 0.111 -6.297 1.00 0.00 C ATOM 0 H LEU A 12 -12.467 -3.915 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.797 -1.970 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.613 -2.320 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.971 -1.213 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.929 0.240 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.695 -0.215 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.883 -1.440 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.704 -1.816 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.909 0.910 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.938 -0.646 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.263 0.521 -7.012 1.00 0.00 H new ATOM 165 N ALA A 13 -15.679 -3.318 -5.962 1.00 0.00 N ATOM 166 CA ALA A 13 -17.053 -3.553 -6.383 1.00 0.00 C ATOM 167 C ALA A 13 -17.801 -4.419 -5.372 1.00 0.00 C ATOM 168 O ALA A 13 -19.027 -4.357 -5.275 1.00 0.00 O ATOM 169 CB ALA A 13 -17.072 -4.209 -7.757 1.00 0.00 C ATOM 0 H ALA A 13 -14.976 -3.746 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.561 -2.590 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.104 -4.381 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.583 -3.555 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.543 -5.161 -7.713 1.00 0.00 H new ATOM 175 N SER A 14 -17.058 -5.245 -4.638 1.00 0.00 N ATOM 176 CA SER A 14 -17.654 -6.153 -3.662 1.00 0.00 C ATOM 177 C SER A 14 -17.509 -5.629 -2.234 1.00 0.00 C ATOM 178 O SER A 14 -17.698 -6.375 -1.273 1.00 0.00 O ATOM 179 CB SER A 14 -17.006 -7.534 -3.770 1.00 0.00 C ATOM 180 OG SER A 14 -15.877 -7.638 -2.920 1.00 0.00 O ATOM 0 H SER A 14 -16.042 -5.304 -4.701 1.00 0.00 H new ATOM 0 HA SER A 14 -18.718 -6.224 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.734 -8.302 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.706 -7.718 -4.802 1.00 0.00 H new ATOM 0 HG SER A 14 -15.483 -8.531 -3.007 1.00 0.00 H new ATOM 186 N ALA A 15 -17.184 -4.348 -2.096 1.00 0.00 N ATOM 187 CA ALA A 15 -17.014 -3.746 -0.779 1.00 0.00 C ATOM 188 C ALA A 15 -17.709 -2.390 -0.698 1.00 0.00 C ATOM 189 O ALA A 15 -17.453 -1.505 -1.515 1.00 0.00 O ATOM 190 CB ALA A 15 -15.537 -3.603 -0.447 1.00 0.00 C ATOM 0 H ALA A 15 -17.034 -3.709 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.477 -4.407 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.428 -3.152 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.066 -4.586 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.057 -2.968 -1.191 1.00 0.00 H new ATOM 196 N PRO A 16 -18.604 -2.208 0.291 1.00 0.00 N ATOM 197 CA PRO A 16 -19.321 -0.942 0.481 1.00 0.00 C ATOM 198 C PRO A 16 -18.364 0.205 0.802 1.00 0.00 C ATOM 199 O PRO A 16 -17.182 -0.024 1.050 1.00 0.00 O ATOM 200 CB PRO A 16 -20.246 -1.226 1.673 1.00 0.00 C ATOM 201 CG PRO A 16 -19.616 -2.373 2.383 1.00 0.00 C ATOM 202 CD PRO A 16 -18.963 -3.204 1.316 1.00 0.00 C ATOM 0 HA PRO A 16 -19.857 -0.631 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.329 -0.356 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -21.254 -1.473 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.884 -2.027 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.361 -2.952 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.085 -3.728 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.642 -3.961 0.923 1.00 0.00 H new ATOM 210 N PRO A 17 -18.852 1.459 0.794 1.00 0.00 N ATOM 211 CA PRO A 17 -18.019 2.628 1.095 1.00 0.00 C ATOM 212 C PRO A 17 -17.363 2.526 2.470 1.00 0.00 C ATOM 213 O PRO A 17 -16.248 3.006 2.672 1.00 0.00 O ATOM 214 CB PRO A 17 -19.001 3.807 1.053 1.00 0.00 C ATOM 215 CG PRO A 17 -20.357 3.193 1.150 1.00 0.00 C ATOM 216 CD PRO A 17 -20.245 1.842 0.508 1.00 0.00 C ATOM 0 HA PRO A 17 -17.196 2.729 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.822 4.498 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.892 4.377 0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.673 3.106 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.101 3.806 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.955 1.132 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.441 1.886 -0.563 1.00 0.00 H new ATOM 224 N GLN A 18 -18.063 1.896 3.411 1.00 0.00 N ATOM 225 CA GLN A 18 -17.550 1.729 4.770 1.00 0.00 C ATOM 226 C GLN A 18 -16.447 0.674 4.821 1.00 0.00 C ATOM 227 O GLN A 18 -15.808 0.481 5.855 1.00 0.00 O ATOM 228 CB GLN A 18 -18.687 1.337 5.718 1.00 0.00 C ATOM 229 CG GLN A 18 -19.054 2.425 6.713 1.00 0.00 C ATOM 230 CD GLN A 18 -18.460 2.185 8.087 1.00 0.00 C ATOM 231 OE1 GLN A 18 -18.691 1.143 8.702 1.00 0.00 O ATOM 232 NE2 GLN A 18 -17.692 3.150 8.577 1.00 0.00 N ATOM 0 H GLN A 18 -18.987 1.493 3.258 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.125 2.682 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.568 1.083 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.399 0.439 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.710 3.388 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.139 2.485 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.528 3.997 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.266 3.045 9.498 1.00 0.00 H new ATOM 241 N GLU A 19 -16.237 -0.010 3.702 1.00 0.00 N ATOM 242 CA GLU A 19 -15.221 -1.051 3.615 1.00 0.00 C ATOM 243 C GLU A 19 -13.892 -0.477 3.136 1.00 0.00 C ATOM 244 O GLU A 19 -13.024 -1.209 2.660 1.00 0.00 O ATOM 245 CB GLU A 19 -15.683 -2.154 2.659 1.00 0.00 C ATOM 246 CG GLU A 19 -15.487 -3.559 3.201 1.00 0.00 C ATOM 247 CD GLU A 19 -16.623 -4.000 4.103 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.725 -3.473 5.230 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.411 -4.873 3.682 1.00 0.00 O ATOM 0 H GLU A 19 -16.760 0.139 2.839 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.077 -1.471 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.739 -2.006 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.139 -2.058 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.398 -4.256 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.550 -3.603 3.756 1.00 0.00 H new ATOM 256 N GLN A 20 -13.743 0.839 3.262 1.00 0.00 N ATOM 257 CA GLN A 20 -12.522 1.518 2.833 1.00 0.00 C ATOM 258 C GLN A 20 -11.288 0.896 3.477 1.00 0.00 C ATOM 259 O GLN A 20 -10.442 0.317 2.798 1.00 0.00 O ATOM 260 CB GLN A 20 -12.571 3.015 3.173 1.00 0.00 C ATOM 261 CG GLN A 20 -13.662 3.402 4.153 1.00 0.00 C ATOM 262 CD GLN A 20 -13.271 3.174 5.601 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.081 3.631 5.979 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -14.033 2.594 6.375 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.452 1.457 3.657 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.455 1.400 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.607 3.313 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.711 3.580 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.912 4.453 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.561 2.828 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.938 2.259 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.759 2.449 7.347 1.00 0.00 H new ATOM 273 N LYS A 21 -11.195 1.021 4.794 1.00 0.00 N ATOM 274 CA LYS A 21 -10.043 0.517 5.533 1.00 0.00 C ATOM 275 C LYS A 21 -9.820 -0.972 5.285 1.00 0.00 C ATOM 276 O LYS A 21 -8.732 -1.490 5.532 1.00 0.00 O ATOM 277 CB LYS A 21 -10.211 0.771 7.036 1.00 0.00 C ATOM 278 CG LYS A 21 -11.658 0.916 7.489 1.00 0.00 C ATOM 279 CD LYS A 21 -12.485 -0.315 7.148 1.00 0.00 C ATOM 280 CE LYS A 21 -12.888 -1.077 8.396 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.365 -1.242 8.495 1.00 0.00 N ATOM 0 H LYS A 21 -11.905 1.468 5.375 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.168 1.057 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.751 -0.051 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.666 1.677 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.686 1.086 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.100 1.793 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.378 -0.014 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.912 -0.969 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.413 -2.058 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.522 -0.550 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.598 -1.768 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.818 -0.306 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.712 -1.768 7.667 1.00 0.00 H new ATOM 295 N GLN A 22 -10.852 -1.660 4.815 1.00 0.00 N ATOM 296 CA GLN A 22 -10.748 -3.087 4.540 1.00 0.00 C ATOM 297 C GLN A 22 -9.910 -3.352 3.293 1.00 0.00 C ATOM 298 O GLN A 22 -8.742 -3.728 3.382 1.00 0.00 O ATOM 299 CB GLN A 22 -12.139 -3.702 4.369 1.00 0.00 C ATOM 300 CG GLN A 22 -12.107 -5.165 3.958 1.00 0.00 C ATOM 301 CD GLN A 22 -12.104 -6.106 5.148 1.00 0.00 C ATOM 302 OE1 GLN A 22 -12.356 -5.695 6.281 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.819 -7.378 4.896 1.00 0.00 N ATOM 0 H GLN A 22 -11.767 -1.255 4.617 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.252 -3.552 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.687 -3.608 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.689 -3.134 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.972 -5.381 3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.220 -5.349 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.616 -7.676 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.803 -8.057 5.657 1.00 0.00 H new ATOM 312 N MET A 23 -10.540 -3.202 2.135 1.00 0.00 N ATOM 313 CA MET A 23 -9.889 -3.474 0.857 1.00 0.00 C ATOM 314 C MET A 23 -8.810 -2.446 0.515 1.00 0.00 C ATOM 315 O MET A 23 -7.647 -2.590 0.896 1.00 0.00 O ATOM 316 CB MET A 23 -10.927 -3.522 -0.275 1.00 0.00 C ATOM 317 CG MET A 23 -12.220 -2.777 0.029 1.00 0.00 C ATOM 318 SD MET A 23 -12.363 -1.229 -0.886 1.00 0.00 S ATOM 319 CE MET A 23 -13.923 -0.605 -0.269 1.00 0.00 C ATOM 0 H MET A 23 -11.508 -2.891 2.053 1.00 0.00 H new ATOM 0 HA MET A 23 -9.402 -4.444 0.957 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.483 -3.102 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.164 -4.564 -0.491 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.069 -3.417 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.272 -2.569 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.644 -0.557 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.299 -1.270 0.509 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.777 0.393 0.146 1.00 0.00 H new ATOM 329 N LEU A 24 -9.207 -1.450 -0.267 1.00 0.00 N ATOM 330 CA LEU A 24 -8.303 -0.432 -0.787 1.00 0.00 C ATOM 331 C LEU A 24 -7.640 0.414 0.293 1.00 0.00 C ATOM 332 O LEU A 24 -6.858 1.311 -0.026 1.00 0.00 O ATOM 333 CB LEU A 24 -9.095 0.477 -1.738 1.00 0.00 C ATOM 334 CG LEU A 24 -9.689 1.758 -1.132 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.570 2.456 -2.155 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.483 1.469 0.133 1.00 0.00 C ATOM 0 H LEU A 24 -10.176 -1.325 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.494 -0.950 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.440 0.762 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.910 -0.106 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.861 2.412 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.987 3.363 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.975 2.716 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.381 1.790 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.886 2.401 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.302 0.789 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.830 1.010 0.876 1.00 0.00 H new ATOM 348 N GLY A 25 -7.976 0.183 1.554 1.00 0.00 N ATOM 349 CA GLY A 25 -7.465 1.061 2.581 1.00 0.00 C ATOM 350 C GLY A 25 -8.048 2.434 2.367 1.00 0.00 C ATOM 351 O GLY A 25 -9.262 2.611 2.413 1.00 0.00 O ATOM 0 H GLY A 25 -8.577 -0.575 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.732 0.685 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.377 1.100 2.539 1.00 0.00 H new ATOM 355 N GLU A 26 -7.199 3.401 2.079 1.00 0.00 N ATOM 356 CA GLU A 26 -7.684 4.692 1.635 1.00 0.00 C ATOM 357 C GLU A 26 -8.110 4.564 0.173 1.00 0.00 C ATOM 358 O GLU A 26 -9.294 4.597 -0.160 1.00 0.00 O ATOM 359 CB GLU A 26 -6.609 5.769 1.795 1.00 0.00 C ATOM 360 CG GLU A 26 -6.822 6.660 3.008 1.00 0.00 C ATOM 361 CD GLU A 26 -6.948 5.872 4.297 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.938 5.280 4.730 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.058 5.844 4.869 1.00 0.00 O ATOM 0 H GLU A 26 -6.184 3.320 2.143 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.534 4.996 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.633 5.289 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.589 6.388 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.988 7.357 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.722 7.257 2.862 1.00 0.00 H new ATOM 370 N ARG A 27 -7.103 4.397 -0.678 1.00 0.00 N ATOM 371 CA ARG A 27 -7.282 4.166 -2.109 1.00 0.00 C ATOM 372 C ARG A 27 -5.998 3.542 -2.649 1.00 0.00 C ATOM 373 O ARG A 27 -5.767 3.471 -3.854 1.00 0.00 O ATOM 374 CB ARG A 27 -7.592 5.482 -2.832 1.00 0.00 C ATOM 375 CG ARG A 27 -7.844 5.335 -4.326 1.00 0.00 C ATOM 376 CD ARG A 27 -8.896 4.279 -4.624 1.00 0.00 C ATOM 377 NE ARG A 27 -9.451 4.425 -5.967 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.626 3.928 -6.341 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.372 3.254 -5.475 1.00 0.00 N ATOM 380 NH2 ARG A 27 -11.057 4.105 -7.582 1.00 0.00 N ATOM 0 H ARG A 27 -6.125 4.418 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.124 3.495 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.468 5.938 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.759 6.169 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.165 6.293 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.913 5.071 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.455 3.288 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.699 4.349 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.905 4.939 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.044 3.116 -4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.273 2.874 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.487 4.623 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.959 3.723 -7.868 1.00 0.00 H new ATOM 394 N LEU A 28 -5.174 3.084 -1.713 1.00 0.00 N ATOM 395 CA LEU A 28 -3.846 2.563 -2.007 1.00 0.00 C ATOM 396 C LEU A 28 -3.859 1.394 -2.987 1.00 0.00 C ATOM 397 O LEU A 28 -3.471 1.541 -4.145 1.00 0.00 O ATOM 398 CB LEU A 28 -3.191 2.116 -0.697 1.00 0.00 C ATOM 399 CG LEU A 28 -2.302 3.155 -0.012 1.00 0.00 C ATOM 400 CD1 LEU A 28 -1.103 3.492 -0.882 1.00 0.00 C ATOM 401 CD2 LEU A 28 -3.103 4.406 0.314 1.00 0.00 C ATOM 0 H LEU A 28 -5.412 3.064 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.282 3.365 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.977 1.822 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.592 1.227 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.933 2.732 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.483 4.233 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.518 2.590 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.447 3.895 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.456 5.136 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.502 4.832 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.925 4.148 0.981 1.00 0.00 H new ATOM 413 N PHE A 29 -4.243 0.223 -2.490 1.00 0.00 N ATOM 414 CA PHE A 29 -4.224 -1.010 -3.276 1.00 0.00 C ATOM 415 C PHE A 29 -4.663 -0.811 -4.737 1.00 0.00 C ATOM 416 O PHE A 29 -3.997 -1.302 -5.639 1.00 0.00 O ATOM 417 CB PHE A 29 -5.086 -2.082 -2.598 1.00 0.00 C ATOM 418 CG PHE A 29 -4.370 -3.390 -2.383 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.589 -3.950 -3.386 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.485 -4.064 -1.178 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.935 -5.149 -3.185 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.831 -5.264 -0.973 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.061 -5.810 -1.980 1.00 0.00 C ATOM 0 H PHE A 29 -4.576 0.100 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.186 -1.340 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.429 -1.704 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.973 -2.260 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.492 -3.442 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.093 -3.646 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.325 -5.570 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.922 -5.774 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.558 -6.753 -1.825 1.00 0.00 H new ATOM 433 N PRO A 30 -5.782 -0.099 -5.003 1.00 0.00 N ATOM 434 CA PRO A 30 -6.284 0.098 -6.376 1.00 0.00 C ATOM 435 C PRO A 30 -5.272 0.754 -7.315 1.00 0.00 C ATOM 436 O PRO A 30 -5.116 0.329 -8.464 1.00 0.00 O ATOM 437 CB PRO A 30 -7.490 1.019 -6.192 1.00 0.00 C ATOM 438 CG PRO A 30 -7.927 0.797 -4.790 1.00 0.00 C ATOM 439 CD PRO A 30 -6.676 0.513 -4.006 1.00 0.00 C ATOM 0 HA PRO A 30 -6.512 -0.861 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.221 2.062 -6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.285 0.776 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.442 1.674 -4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.625 -0.038 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.248 1.424 -3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.869 -0.161 -3.171 1.00 0.00 H new ATOM 447 N LEU A 31 -4.582 1.784 -6.833 1.00 0.00 N ATOM 448 CA LEU A 31 -3.616 2.491 -7.676 1.00 0.00 C ATOM 449 C LEU A 31 -2.406 1.610 -7.928 1.00 0.00 C ATOM 450 O LEU A 31 -1.963 1.437 -9.066 1.00 0.00 O ATOM 451 CB LEU A 31 -3.163 3.808 -7.030 1.00 0.00 C ATOM 452 CG LEU A 31 -3.979 4.271 -5.825 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.061 4.675 -4.681 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.896 5.421 -6.211 1.00 0.00 C ATOM 0 H LEU A 31 -4.669 2.144 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.108 2.725 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.123 3.701 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.192 4.591 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.598 3.439 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.661 5.002 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.449 3.822 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.414 5.491 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.469 5.737 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.298 6.257 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.579 5.094 -6.995 1.00 0.00 H new ATOM 466 N ILE A 32 -1.899 1.023 -6.861 1.00 0.00 N ATOM 467 CA ILE A 32 -0.764 0.130 -6.966 1.00 0.00 C ATOM 468 C ILE A 32 -1.193 -1.196 -7.572 1.00 0.00 C ATOM 469 O ILE A 32 -0.359 -1.999 -7.973 1.00 0.00 O ATOM 470 CB ILE A 32 -0.104 -0.113 -5.599 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.471 1.018 -4.632 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.404 -0.214 -5.763 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.038 0.818 -3.225 1.00 0.00 C ATOM 0 H ILE A 32 -2.255 1.149 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.030 0.607 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.470 -1.052 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.074 1.956 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.556 1.119 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.865 -0.386 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.643 -1.043 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.787 0.714 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.265 1.662 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.379 -0.102 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.126 0.749 -3.238 1.00 0.00 H new ATOM 485 N GLN A 33 -2.503 -1.419 -7.641 1.00 0.00 N ATOM 486 CA GLN A 33 -3.030 -2.626 -8.265 1.00 0.00 C ATOM 487 C GLN A 33 -2.630 -2.628 -9.728 1.00 0.00 C ATOM 488 O GLN A 33 -2.209 -3.647 -10.272 1.00 0.00 O ATOM 489 CB GLN A 33 -4.549 -2.698 -8.117 1.00 0.00 C ATOM 490 CG GLN A 33 -5.205 -3.736 -9.016 1.00 0.00 C ATOM 491 CD GLN A 33 -5.971 -3.113 -10.168 1.00 0.00 C ATOM 492 OE1 GLN A 33 -6.705 -2.044 -9.882 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -5.903 -3.588 -11.301 1.00 0.00 N flip ATOM 0 H GLN A 33 -3.213 -0.784 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.615 -3.504 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.793 -2.924 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.973 -1.719 -8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.439 -4.403 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.884 -4.348 -8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.326 -4.411 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.423 -3.159 -12.066 1.00 0.00 H new ATOM 502 N ALA A 34 -2.713 -1.457 -10.344 1.00 0.00 N ATOM 503 CA ALA A 34 -2.257 -1.296 -11.715 1.00 0.00 C ATOM 504 C ALA A 34 -0.746 -1.489 -11.757 1.00 0.00 C ATOM 505 O ALA A 34 -0.190 -1.990 -12.735 1.00 0.00 O ATOM 506 CB ALA A 34 -2.645 0.071 -12.257 1.00 0.00 C ATOM 0 H ALA A 34 -3.090 -0.610 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.735 -2.044 -12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.293 0.168 -13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.730 0.177 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.191 0.848 -11.643 1.00 0.00 H new ATOM 512 N MET A 35 -0.099 -1.136 -10.645 1.00 0.00 N ATOM 513 CA MET A 35 1.346 -1.289 -10.495 1.00 0.00 C ATOM 514 C MET A 35 1.667 -2.521 -9.654 1.00 0.00 C ATOM 515 O MET A 35 2.704 -2.587 -8.995 1.00 0.00 O ATOM 516 CB MET A 35 1.929 -0.045 -9.827 1.00 0.00 C ATOM 517 CG MET A 35 1.334 1.245 -10.357 1.00 0.00 C ATOM 518 SD MET A 35 2.012 2.714 -9.571 1.00 0.00 S ATOM 519 CE MET A 35 0.510 3.645 -9.292 1.00 0.00 C ATOM 0 H MET A 35 -0.561 -0.738 -9.827 1.00 0.00 H new ATOM 0 HA MET A 35 1.789 -1.414 -11.483 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.758 -0.103 -8.752 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.008 -0.030 -9.978 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.508 1.303 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.254 1.227 -10.209 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.761 4.680 -9.061 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.109 3.613 -10.188 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.038 3.209 -8.457 1.00 0.00 H new ATOM 529 N HIS A 36 0.748 -3.487 -9.666 1.00 0.00 N ATOM 530 CA HIS A 36 0.891 -4.698 -8.865 1.00 0.00 C ATOM 531 C HIS A 36 2.078 -5.569 -9.300 1.00 0.00 C ATOM 532 O HIS A 36 2.680 -6.227 -8.450 1.00 0.00 O ATOM 533 CB HIS A 36 -0.414 -5.504 -8.880 1.00 0.00 C ATOM 534 CG HIS A 36 -0.436 -6.637 -9.862 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.875 -6.458 -11.153 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.082 -7.934 -9.689 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.769 -7.639 -11.737 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.293 -8.561 -10.889 1.00 0.00 N ATOM 0 H HIS A 36 -0.105 -3.452 -10.224 1.00 0.00 H new ATOM 0 HA HIS A 36 1.104 -4.380 -7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.591 -5.903 -7.881 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.240 -4.829 -9.105 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.293 -8.385 -8.782 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.032 -7.836 -12.766 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.120 -9.544 -11.098 1.00 0.00 H new ATOM 546 N PRO A 37 2.439 -5.611 -10.611 1.00 0.00 N ATOM 547 CA PRO A 37 3.571 -6.414 -11.084 1.00 0.00 C ATOM 548 C PRO A 37 4.727 -6.422 -10.089 1.00 0.00 C ATOM 549 O PRO A 37 5.427 -7.424 -9.940 1.00 0.00 O ATOM 550 CB PRO A 37 3.968 -5.705 -12.373 1.00 0.00 C ATOM 551 CG PRO A 37 2.682 -5.185 -12.919 1.00 0.00 C ATOM 552 CD PRO A 37 1.799 -4.883 -11.730 1.00 0.00 C ATOM 0 HA PRO A 37 3.314 -7.465 -11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.674 -4.897 -12.181 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.449 -6.390 -13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.849 -4.288 -13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.213 -5.920 -13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.749 -3.812 -11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.777 -5.225 -11.895 1.00 0.00 H new ATOM 560 N THR A 38 4.895 -5.308 -9.382 1.00 0.00 N ATOM 561 CA THR A 38 5.913 -5.206 -8.346 1.00 0.00 C ATOM 562 C THR A 38 5.424 -5.894 -7.073 1.00 0.00 C ATOM 563 O THR A 38 5.687 -7.079 -6.862 1.00 0.00 O ATOM 564 CB THR A 38 6.248 -3.737 -8.068 1.00 0.00 C ATOM 565 OG1 THR A 38 6.133 -2.965 -9.252 1.00 0.00 O ATOM 566 CG2 THR A 38 7.643 -3.535 -7.521 1.00 0.00 C ATOM 0 H THR A 38 4.338 -4.463 -9.509 1.00 0.00 H new ATOM 0 HA THR A 38 6.820 -5.703 -8.690 1.00 0.00 H new ATOM 0 HB THR A 38 5.530 -3.414 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.761 -2.213 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.815 -2.473 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.748 -4.079 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.373 -3.908 -8.240 1.00 0.00 H new ATOM 574 N LEU A 39 4.688 -5.156 -6.241 1.00 0.00 N ATOM 575 CA LEU A 39 4.129 -5.720 -5.014 1.00 0.00 C ATOM 576 C LEU A 39 3.157 -4.746 -4.345 1.00 0.00 C ATOM 577 O LEU A 39 3.399 -4.282 -3.231 1.00 0.00 O ATOM 578 CB LEU A 39 5.245 -6.101 -4.038 1.00 0.00 C ATOM 579 CG LEU A 39 5.329 -7.591 -3.702 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.715 -8.131 -4.019 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.982 -7.828 -2.240 1.00 0.00 C ATOM 0 H LEU A 39 4.467 -4.172 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 39 3.576 -6.619 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.199 -5.785 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.104 -5.543 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 39 4.604 -8.125 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.757 -9.192 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.925 -7.995 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.458 -7.593 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.047 -8.893 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.682 -7.283 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.968 -7.478 -2.045 1.00 0.00 H new ATOM 593 N ALA A 40 2.045 -4.460 -5.022 1.00 0.00 N ATOM 594 CA ALA A 40 1.026 -3.558 -4.487 1.00 0.00 C ATOM 595 C ALA A 40 0.595 -3.984 -3.085 1.00 0.00 C ATOM 596 O ALA A 40 0.200 -3.153 -2.265 1.00 0.00 O ATOM 597 CB ALA A 40 -0.181 -3.519 -5.414 1.00 0.00 C ATOM 0 H ALA A 40 1.827 -4.841 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 40 1.460 -2.560 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.933 -2.844 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.127 -3.165 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.603 -4.520 -5.504 1.00 0.00 H new ATOM 603 N GLY A 41 0.682 -5.284 -2.823 1.00 0.00 N ATOM 604 CA GLY A 41 0.272 -5.830 -1.541 1.00 0.00 C ATOM 605 C GLY A 41 0.848 -5.097 -0.344 1.00 0.00 C ATOM 606 O GLY A 41 0.105 -4.674 0.538 1.00 0.00 O ATOM 0 H GLY A 41 1.033 -5.977 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.816 -5.806 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.571 -6.877 -1.491 1.00 0.00 H new ATOM 610 N LYS A 42 2.172 -5.004 -0.272 1.00 0.00 N ATOM 611 CA LYS A 42 2.814 -4.367 0.873 1.00 0.00 C ATOM 612 C LYS A 42 2.754 -2.844 0.798 1.00 0.00 C ATOM 613 O LYS A 42 2.573 -2.183 1.819 1.00 0.00 O ATOM 614 CB LYS A 42 4.272 -4.826 1.016 1.00 0.00 C ATOM 615 CG LYS A 42 4.761 -4.965 2.464 1.00 0.00 C ATOM 616 CD LYS A 42 3.746 -4.474 3.496 1.00 0.00 C ATOM 617 CE LYS A 42 2.981 -5.631 4.118 1.00 0.00 C ATOM 618 NZ LYS A 42 3.893 -6.623 4.753 1.00 0.00 N ATOM 0 H LYS A 42 2.814 -5.356 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 42 2.254 -4.679 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.387 -5.787 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.915 -4.116 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.993 -6.011 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.688 -4.405 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.261 -3.915 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.046 -3.787 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.286 -5.247 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.384 -6.125 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.421 -7.053 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.133 -7.364 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.762 -6.145 5.065 1.00 0.00 H new ATOM 632 N ILE A 43 2.905 -2.286 -0.402 1.00 0.00 N ATOM 633 CA ILE A 43 2.911 -0.833 -0.560 1.00 0.00 C ATOM 634 C ILE A 43 1.680 -0.197 0.069 1.00 0.00 C ATOM 635 O ILE A 43 1.800 0.712 0.890 1.00 0.00 O ATOM 636 CB ILE A 43 2.975 -0.397 -2.030 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.109 -1.111 -2.762 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.156 1.111 -2.104 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.279 -0.652 -4.194 1.00 0.00 C ATOM 0 H ILE A 43 3.023 -2.810 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 43 3.812 -0.492 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 43 2.040 -0.671 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.041 -0.946 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.920 -2.184 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.202 1.421 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.315 1.603 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.082 1.391 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.101 -1.199 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.360 -0.842 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.499 0.415 -4.210 1.00 0.00 H new ATOM 651 N THR A 44 0.499 -0.668 -0.328 1.00 0.00 N ATOM 652 CA THR A 44 -0.744 -0.139 0.209 1.00 0.00 C ATOM 653 C THR A 44 -0.649 -0.041 1.723 1.00 0.00 C ATOM 654 O THR A 44 -0.879 1.020 2.297 1.00 0.00 O ATOM 655 CB THR A 44 -1.922 -1.030 -0.196 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.125 -0.576 0.394 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.742 -2.477 0.196 1.00 0.00 C ATOM 0 H THR A 44 0.381 -1.411 -1.016 1.00 0.00 H new ATOM 0 HA THR A 44 -0.912 0.857 -0.200 1.00 0.00 H new ATOM 0 HB THR A 44 -1.966 -0.966 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.864 -1.159 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.613 -3.051 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.849 -2.876 -0.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.634 -2.550 1.278 1.00 0.00 H new ATOM 665 N GLY A 45 -0.216 -1.131 2.349 1.00 0.00 N ATOM 666 CA GLY A 45 -0.054 -1.152 3.789 1.00 0.00 C ATOM 667 C GLY A 45 0.843 -0.041 4.295 1.00 0.00 C ATOM 668 O GLY A 45 0.495 0.659 5.248 1.00 0.00 O ATOM 0 H GLY A 45 0.026 -2.004 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.033 -1.066 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.362 -2.114 4.089 1.00 0.00 H new ATOM 672 N MET A 46 2.005 0.116 3.667 1.00 0.00 N ATOM 673 CA MET A 46 2.966 1.139 4.073 1.00 0.00 C ATOM 674 C MET A 46 2.326 2.512 4.088 1.00 0.00 C ATOM 675 O MET A 46 2.140 3.123 5.141 1.00 0.00 O ATOM 676 CB MET A 46 4.157 1.178 3.109 1.00 0.00 C ATOM 677 CG MET A 46 4.605 -0.181 2.604 1.00 0.00 C ATOM 678 SD MET A 46 5.969 -0.868 3.561 1.00 0.00 S ATOM 679 CE MET A 46 7.152 -1.208 2.261 1.00 0.00 C ATOM 0 H MET A 46 2.305 -0.452 2.875 1.00 0.00 H new ATOM 0 HA MET A 46 3.305 0.880 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.895 1.801 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.997 1.660 3.609 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.762 -0.871 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.907 -0.094 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.721 -2.104 2.512 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.624 -1.365 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.833 -0.363 2.158 1.00 0.00 H new ATOM 689 N LEU A 47 2.027 2.999 2.898 1.00 0.00 N ATOM 690 CA LEU A 47 1.467 4.321 2.726 1.00 0.00 C ATOM 691 C LEU A 47 -0.032 4.343 3.007 1.00 0.00 C ATOM 692 O LEU A 47 -0.728 5.290 2.639 1.00 0.00 O ATOM 693 CB LEU A 47 1.773 4.792 1.310 1.00 0.00 C ATOM 694 CG LEU A 47 3.265 4.965 1.023 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.770 3.834 0.139 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.538 6.316 0.387 1.00 0.00 C ATOM 0 H LEU A 47 2.166 2.488 2.026 1.00 0.00 H new ATOM 0 HA LEU A 47 1.921 5.001 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.358 4.075 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.267 5.742 1.136 1.00 0.00 H new ATOM 0 HG LEU A 47 3.805 4.926 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.834 3.972 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.614 2.880 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.225 3.838 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.606 6.417 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.988 6.394 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.216 7.108 1.063 1.00 0.00 H new ATOM 708 N LEU A 48 -0.519 3.310 3.694 1.00 0.00 N ATOM 709 CA LEU A 48 -1.923 3.245 4.082 1.00 0.00 C ATOM 710 C LEU A 48 -2.232 4.350 5.083 1.00 0.00 C ATOM 711 O LEU A 48 -3.372 4.794 5.209 1.00 0.00 O ATOM 712 CB LEU A 48 -2.251 1.877 4.696 1.00 0.00 C ATOM 713 CG LEU A 48 -3.643 1.311 4.383 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.677 2.416 4.260 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.609 0.482 3.114 1.00 0.00 C ATOM 0 H LEU A 48 0.039 2.509 3.992 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.537 3.381 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.505 1.160 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.147 1.953 5.778 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.933 0.670 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.651 1.980 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.732 2.969 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.391 3.094 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.605 0.090 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.286 1.106 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.911 -0.346 3.239 1.00 0.00 H new ATOM 727 N GLU A 49 -1.194 4.813 5.769 1.00 0.00 N ATOM 728 CA GLU A 49 -1.338 5.873 6.758 1.00 0.00 C ATOM 729 C GLU A 49 -1.539 7.228 6.083 1.00 0.00 C ATOM 730 O GLU A 49 -1.269 8.274 6.674 1.00 0.00 O ATOM 731 CB GLU A 49 -0.106 5.909 7.662 1.00 0.00 C ATOM 732 CG GLU A 49 0.353 4.531 8.117 1.00 0.00 C ATOM 733 CD GLU A 49 0.622 4.471 9.609 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.354 4.454 10.387 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.808 4.441 9.998 1.00 0.00 O ATOM 0 H GLU A 49 -0.240 4.469 5.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.221 5.664 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.710 6.398 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.326 6.518 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.408 3.795 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.259 4.257 7.577 1.00 0.00 H new ATOM 742 N ILE A 50 -2.026 7.199 4.846 1.00 0.00 N ATOM 743 CA ILE A 50 -2.272 8.416 4.083 1.00 0.00 C ATOM 744 C ILE A 50 -3.644 9.003 4.418 1.00 0.00 C ATOM 745 O ILE A 50 -4.455 8.366 5.091 1.00 0.00 O ATOM 746 CB ILE A 50 -2.170 8.148 2.564 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.535 9.343 1.851 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.536 7.830 1.965 1.00 0.00 C ATOM 749 CD1 ILE A 50 -1.133 9.048 0.422 1.00 0.00 C ATOM 0 H ILE A 50 -2.259 6.339 4.349 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.505 9.139 4.361 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.532 7.276 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.238 10.176 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.655 9.664 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.431 7.646 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.947 6.943 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.208 8.673 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.690 9.939 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.406 8.236 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.013 8.756 -0.151 1.00 0.00 H new ATOM 761 N ASP A 51 -3.892 10.223 3.950 1.00 0.00 N ATOM 762 CA ASP A 51 -5.159 10.901 4.206 1.00 0.00 C ATOM 763 C ASP A 51 -6.303 10.264 3.429 1.00 0.00 C ATOM 764 O ASP A 51 -6.086 9.596 2.417 1.00 0.00 O ATOM 765 CB ASP A 51 -5.051 12.374 3.816 1.00 0.00 C ATOM 766 CG ASP A 51 -4.373 13.211 4.884 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.612 12.952 6.082 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.607 14.128 4.521 1.00 0.00 O ATOM 0 H ASP A 51 -3.231 10.763 3.391 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.371 10.809 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.493 12.459 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.049 12.770 3.628 1.00 0.00 H new ATOM 773 N ASN A 52 -7.527 10.508 3.889 1.00 0.00 N ATOM 774 CA ASN A 52 -8.712 10.008 3.204 1.00 0.00 C ATOM 775 C ASN A 52 -9.175 11.020 2.163 1.00 0.00 C ATOM 776 O ASN A 52 -9.761 10.662 1.143 1.00 0.00 O ATOM 777 CB ASN A 52 -9.837 9.719 4.203 1.00 0.00 C ATOM 778 CG ASN A 52 -9.709 8.347 4.837 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.264 7.333 4.178 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.119 8.197 5.907 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.723 11.048 4.732 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.455 9.074 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.830 10.479 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.798 9.793 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.707 9.002 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.042 7.268 6.321 1.00 0.00 H new ATOM 787 N SER A 53 -8.888 12.291 2.418 1.00 0.00 N ATOM 788 CA SER A 53 -9.222 13.346 1.472 1.00 0.00 C ATOM 789 C SER A 53 -8.264 13.291 0.289 1.00 0.00 C ATOM 790 O SER A 53 -8.626 13.625 -0.841 1.00 0.00 O ATOM 791 CB SER A 53 -9.151 14.717 2.149 1.00 0.00 C ATOM 792 OG SER A 53 -8.715 15.713 1.240 1.00 0.00 O ATOM 0 H SER A 53 -8.427 12.614 3.268 1.00 0.00 H new ATOM 0 HA SER A 53 -10.241 13.194 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.132 14.983 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.469 14.672 2.998 1.00 0.00 H new ATOM 0 HG SER A 53 -8.680 16.580 1.696 1.00 0.00 H new ATOM 798 N GLU A 54 -7.045 12.834 0.562 1.00 0.00 N ATOM 799 CA GLU A 54 -6.025 12.701 -0.468 1.00 0.00 C ATOM 800 C GLU A 54 -6.257 11.442 -1.295 1.00 0.00 C ATOM 801 O GLU A 54 -5.906 11.391 -2.472 1.00 0.00 O ATOM 802 CB GLU A 54 -4.633 12.656 0.166 1.00 0.00 C ATOM 803 CG GLU A 54 -4.017 14.029 0.376 1.00 0.00 C ATOM 804 CD GLU A 54 -2.895 14.319 -0.601 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.916 13.544 -0.629 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.994 15.322 -1.339 1.00 0.00 O ATOM 0 H GLU A 54 -6.741 12.549 1.493 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.089 13.568 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.696 12.144 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.973 12.064 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.790 14.790 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.635 14.100 1.394 1.00 0.00 H new ATOM 813 N LEU A 55 -6.862 10.433 -0.672 1.00 0.00 N ATOM 814 CA LEU A 55 -7.147 9.180 -1.359 1.00 0.00 C ATOM 815 C LEU A 55 -8.039 9.437 -2.566 1.00 0.00 C ATOM 816 O LEU A 55 -7.771 8.953 -3.667 1.00 0.00 O ATOM 817 CB LEU A 55 -7.795 8.172 -0.394 1.00 0.00 C ATOM 818 CG LEU A 55 -9.327 8.222 -0.269 1.00 0.00 C ATOM 819 CD1 LEU A 55 -10.001 7.453 -1.396 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.764 7.666 1.077 1.00 0.00 C ATOM 0 H LEU A 55 -7.162 10.460 0.302 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.210 8.749 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.512 7.168 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.368 8.326 0.597 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.634 9.265 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.083 7.508 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.718 7.889 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.685 6.410 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.851 7.707 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.433 6.631 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.322 8.260 1.877 1.00 0.00 H new ATOM 832 N LEU A 56 -9.076 10.235 -2.355 1.00 0.00 N ATOM 833 CA LEU A 56 -10.004 10.588 -3.420 1.00 0.00 C ATOM 834 C LEU A 56 -9.274 11.303 -4.553 1.00 0.00 C ATOM 835 O LEU A 56 -9.407 10.936 -5.719 1.00 0.00 O ATOM 836 CB LEU A 56 -11.115 11.483 -2.867 1.00 0.00 C ATOM 837 CG LEU A 56 -12.343 11.634 -3.766 1.00 0.00 C ATOM 838 CD1 LEU A 56 -13.581 11.886 -2.923 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.141 12.761 -4.766 1.00 0.00 C ATOM 0 H LEU A 56 -9.297 10.652 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.444 9.672 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.436 11.082 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.700 12.473 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.481 10.707 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.449 11.992 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.736 11.047 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.447 12.800 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.026 12.852 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.979 13.697 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.273 12.544 -5.389 1.00 0.00 H new ATOM 851 N HIS A 57 -8.492 12.318 -4.195 1.00 0.00 N ATOM 852 CA HIS A 57 -7.739 13.089 -5.179 1.00 0.00 C ATOM 853 C HIS A 57 -6.791 12.194 -5.978 1.00 0.00 C ATOM 854 O HIS A 57 -6.524 12.455 -7.150 1.00 0.00 O ATOM 855 CB HIS A 57 -6.947 14.199 -4.488 1.00 0.00 C ATOM 856 CG HIS A 57 -7.232 15.566 -5.032 1.00 0.00 C ATOM 857 ND1 HIS A 57 -6.562 16.055 -6.128 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.115 16.498 -4.599 1.00 0.00 C ATOM 859 CE1 HIS A 57 -7.047 17.266 -6.337 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.990 17.576 -5.436 1.00 0.00 N ATOM 0 H HIS A 57 -8.364 12.625 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.453 13.534 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.174 14.187 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.882 13.991 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.787 16.409 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.725 17.922 -7.132 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.515 18.449 -5.383 1.00 0.00 H new ATOM 868 N MET A 58 -6.282 11.144 -5.338 1.00 0.00 N ATOM 869 CA MET A 58 -5.360 10.218 -5.994 1.00 0.00 C ATOM 870 C MET A 58 -6.033 9.513 -7.166 1.00 0.00 C ATOM 871 O MET A 58 -5.551 9.577 -8.297 1.00 0.00 O ATOM 872 CB MET A 58 -4.832 9.195 -4.989 1.00 0.00 C ATOM 873 CG MET A 58 -3.773 9.748 -4.043 1.00 0.00 C ATOM 874 SD MET A 58 -3.490 11.520 -4.244 1.00 0.00 S ATOM 875 CE MET A 58 -1.783 11.537 -4.783 1.00 0.00 C ATOM 0 H MET A 58 -6.492 10.913 -4.367 1.00 0.00 H new ATOM 0 HA MET A 58 -4.521 10.794 -6.384 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.667 8.814 -4.401 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.413 8.349 -5.533 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.075 9.550 -3.015 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.836 9.217 -4.208 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.210 12.220 -4.156 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.366 10.533 -4.701 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.732 11.868 -5.820 1.00 0.00 H new ATOM 885 N LEU A 59 -7.157 8.856 -6.899 1.00 0.00 N ATOM 886 CA LEU A 59 -7.901 8.170 -7.951 1.00 0.00 C ATOM 887 C LEU A 59 -8.466 9.176 -8.942 1.00 0.00 C ATOM 888 O LEU A 59 -9.022 8.805 -9.975 1.00 0.00 O ATOM 889 CB LEU A 59 -9.029 7.328 -7.356 1.00 0.00 C ATOM 890 CG LEU A 59 -10.179 8.124 -6.738 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.356 8.183 -7.699 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.599 7.512 -5.410 1.00 0.00 C ATOM 0 H LEU A 59 -7.571 8.784 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.214 7.506 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.432 6.685 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.609 6.674 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.836 9.141 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.167 8.753 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.046 8.667 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.700 7.172 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.418 8.092 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.926 6.485 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.754 7.520 -4.722 1.00 0.00 H new ATOM 904 N GLU A 60 -8.306 10.454 -8.621 1.00 0.00 N ATOM 905 CA GLU A 60 -8.787 11.523 -9.478 1.00 0.00 C ATOM 906 C GLU A 60 -7.624 12.186 -10.215 1.00 0.00 C ATOM 907 O GLU A 60 -7.822 12.914 -11.188 1.00 0.00 O ATOM 908 CB GLU A 60 -9.548 12.555 -8.637 1.00 0.00 C ATOM 909 CG GLU A 60 -9.977 13.794 -9.409 1.00 0.00 C ATOM 910 CD GLU A 60 -11.366 13.662 -10.004 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.153 12.834 -9.498 1.00 0.00 O ATOM 912 OE2 GLU A 60 -11.667 14.387 -10.975 1.00 0.00 O ATOM 0 H GLU A 60 -7.844 10.773 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.463 11.103 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.433 12.080 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.919 12.861 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.952 14.658 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.261 13.985 -10.208 1.00 0.00 H new ATOM 919 N SER A 61 -6.406 11.903 -9.758 1.00 0.00 N ATOM 920 CA SER A 61 -5.207 12.468 -10.368 1.00 0.00 C ATOM 921 C SER A 61 -4.260 11.366 -10.833 1.00 0.00 C ATOM 922 O SER A 61 -3.408 10.913 -10.074 1.00 0.00 O ATOM 923 CB SER A 61 -4.484 13.382 -9.377 1.00 0.00 C ATOM 924 OG SER A 61 -3.877 14.476 -10.042 1.00 0.00 O ATOM 0 H SER A 61 -6.225 11.285 -8.967 1.00 0.00 H new ATOM 0 HA SER A 61 -5.516 13.051 -11.235 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.192 13.751 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.726 12.813 -8.839 1.00 0.00 H new ATOM 0 HG SER A 61 -3.980 15.286 -9.500 1.00 0.00 H new ATOM 930 N PRO A 62 -4.390 10.924 -12.095 1.00 0.00 N ATOM 931 CA PRO A 62 -3.528 9.876 -12.651 1.00 0.00 C ATOM 932 C PRO A 62 -2.067 10.309 -12.719 1.00 0.00 C ATOM 933 O PRO A 62 -1.161 9.485 -12.617 1.00 0.00 O ATOM 934 CB PRO A 62 -4.088 9.653 -14.059 1.00 0.00 C ATOM 935 CG PRO A 62 -4.827 10.906 -14.382 1.00 0.00 C ATOM 936 CD PRO A 62 -5.375 11.408 -13.077 1.00 0.00 C ATOM 0 HA PRO A 62 -3.533 8.977 -12.035 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.289 9.470 -14.777 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.748 8.786 -14.089 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.166 11.643 -14.838 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.629 10.714 -15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.456 12.495 -13.065 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.371 11.012 -12.878 1.00 0.00 H new ATOM 944 N GLU A 63 -1.847 11.605 -12.915 1.00 0.00 N ATOM 945 CA GLU A 63 -0.494 12.146 -13.000 1.00 0.00 C ATOM 946 C GLU A 63 0.127 12.301 -11.610 1.00 0.00 C ATOM 947 O GLU A 63 1.280 11.930 -11.391 1.00 0.00 O ATOM 948 CB GLU A 63 -0.508 13.487 -13.754 1.00 0.00 C ATOM 949 CG GLU A 63 -0.048 14.686 -12.932 1.00 0.00 C ATOM 950 CD GLU A 63 1.459 14.855 -12.935 1.00 0.00 C ATOM 951 OE1 GLU A 63 2.133 14.176 -13.738 1.00 0.00 O ATOM 952 OE2 GLU A 63 1.965 15.668 -12.132 1.00 0.00 O ATOM 0 H GLU A 63 -2.587 12.300 -13.018 1.00 0.00 H new ATOM 0 HA GLU A 63 0.125 11.443 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.130 13.400 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.520 13.676 -14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.512 15.590 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.394 14.571 -11.905 1.00 0.00 H new ATOM 959 N SER A 64 -0.645 12.849 -10.677 1.00 0.00 N ATOM 960 CA SER A 64 -0.164 13.080 -9.319 1.00 0.00 C ATOM 961 C SER A 64 -0.040 11.776 -8.540 1.00 0.00 C ATOM 962 O SER A 64 1.025 11.449 -8.016 1.00 0.00 O ATOM 963 CB SER A 64 -1.111 14.027 -8.579 1.00 0.00 C ATOM 964 OG SER A 64 -1.317 15.221 -9.315 1.00 0.00 O ATOM 0 H SER A 64 -1.609 13.142 -10.837 1.00 0.00 H new ATOM 0 HA SER A 64 0.826 13.531 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.067 13.531 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.698 14.267 -7.599 1.00 0.00 H new ATOM 0 HG SER A 64 -2.152 15.152 -9.824 1.00 0.00 H new ATOM 970 N LEU A 65 -1.145 11.048 -8.460 1.00 0.00 N ATOM 971 CA LEU A 65 -1.198 9.798 -7.714 1.00 0.00 C ATOM 972 C LEU A 65 -0.166 8.794 -8.224 1.00 0.00 C ATOM 973 O LEU A 65 0.696 8.355 -7.465 1.00 0.00 O ATOM 974 CB LEU A 65 -2.625 9.224 -7.791 1.00 0.00 C ATOM 975 CG LEU A 65 -2.815 7.731 -7.466 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.683 6.890 -8.725 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.860 7.244 -6.384 1.00 0.00 C ATOM 0 H LEU A 65 -2.025 11.305 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.948 9.998 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.254 9.798 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.003 9.399 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.824 7.615 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.820 5.838 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.441 7.194 -9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.693 7.034 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.036 6.185 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.831 7.387 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.028 7.811 -5.468 1.00 0.00 H new ATOM 989 N ARG A 66 -0.270 8.409 -9.491 1.00 0.00 N ATOM 990 CA ARG A 66 0.642 7.417 -10.049 1.00 0.00 C ATOM 991 C ARG A 66 2.096 7.796 -9.789 1.00 0.00 C ATOM 992 O ARG A 66 2.935 6.929 -9.546 1.00 0.00 O ATOM 993 CB ARG A 66 0.402 7.235 -11.545 1.00 0.00 C ATOM 994 CG ARG A 66 0.613 5.805 -12.016 1.00 0.00 C ATOM 995 CD ARG A 66 1.761 5.711 -13.007 1.00 0.00 C ATOM 996 NE ARG A 66 2.974 6.347 -12.502 1.00 0.00 N ATOM 997 CZ ARG A 66 3.578 7.368 -13.103 1.00 0.00 C ATOM 998 NH1 ARG A 66 3.083 7.866 -14.228 1.00 0.00 N ATOM 999 NH2 ARG A 66 4.678 7.891 -12.579 1.00 0.00 N ATOM 0 H ARG A 66 -0.968 8.764 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 66 0.442 6.469 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.616 7.543 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.072 7.895 -12.097 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.818 5.164 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.301 5.435 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.966 4.663 -13.226 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.469 6.182 -13.946 1.00 0.00 H new ATOM 0 HE ARG A 66 3.382 5.988 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.237 7.466 -14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.548 8.649 -14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.062 7.510 -11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.140 8.674 -13.041 1.00 0.00 H new ATOM 1013 N SER A 67 2.387 9.093 -9.820 1.00 0.00 N ATOM 1014 CA SER A 67 3.737 9.573 -9.548 1.00 0.00 C ATOM 1015 C SER A 67 4.117 9.283 -8.100 1.00 0.00 C ATOM 1016 O SER A 67 5.257 8.921 -7.801 1.00 0.00 O ATOM 1017 CB SER A 67 3.837 11.075 -9.825 1.00 0.00 C ATOM 1018 OG SER A 67 4.150 11.324 -11.184 1.00 0.00 O ATOM 0 H SER A 67 1.710 9.827 -10.030 1.00 0.00 H new ATOM 0 HA SER A 67 4.429 9.050 -10.207 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.893 11.558 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.602 11.516 -9.186 1.00 0.00 H new ATOM 0 HG SER A 67 3.341 11.605 -11.660 1.00 0.00 H new ATOM 1024 N LYS A 68 3.143 9.425 -7.207 1.00 0.00 N ATOM 1025 CA LYS A 68 3.355 9.162 -5.793 1.00 0.00 C ATOM 1026 C LYS A 68 3.631 7.681 -5.559 1.00 0.00 C ATOM 1027 O LYS A 68 4.649 7.314 -4.972 1.00 0.00 O ATOM 1028 CB LYS A 68 2.128 9.602 -4.990 1.00 0.00 C ATOM 1029 CG LYS A 68 2.114 9.076 -3.566 1.00 0.00 C ATOM 1030 CD LYS A 68 1.899 10.194 -2.559 1.00 0.00 C ATOM 1031 CE LYS A 68 0.423 10.456 -2.328 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.158 11.875 -1.964 1.00 0.00 N ATOM 0 H LYS A 68 2.196 9.722 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 68 4.222 9.732 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.091 10.691 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.228 9.263 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.324 8.333 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.057 8.571 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.375 9.931 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.380 11.105 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.135 10.203 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.059 9.804 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.852 11.995 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.723 12.130 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.418 12.492 -2.760 1.00 0.00 H new ATOM 1046 N VAL A 69 2.718 6.834 -6.026 1.00 0.00 N ATOM 1047 CA VAL A 69 2.872 5.394 -5.875 1.00 0.00 C ATOM 1048 C VAL A 69 4.036 4.887 -6.724 1.00 0.00 C ATOM 1049 O VAL A 69 4.556 3.793 -6.501 1.00 0.00 O ATOM 1050 CB VAL A 69 1.573 4.642 -6.236 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.802 3.139 -6.287 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.480 4.974 -5.235 1.00 0.00 C ATOM 0 H VAL A 69 1.867 7.120 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 69 3.089 5.194 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 69 1.259 4.968 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.869 2.637 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.556 2.911 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.146 2.790 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.431 4.438 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.799 4.676 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.287 6.047 -5.249 1.00 0.00 H new ATOM 1062 N ASP A 70 4.479 5.706 -7.672 1.00 0.00 N ATOM 1063 CA ASP A 70 5.637 5.353 -8.479 1.00 0.00 C ATOM 1064 C ASP A 70 6.827 5.121 -7.559 1.00 0.00 C ATOM 1065 O ASP A 70 7.485 4.080 -7.613 1.00 0.00 O ATOM 1066 CB ASP A 70 5.951 6.458 -9.488 1.00 0.00 C ATOM 1067 CG ASP A 70 7.292 6.260 -10.168 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.564 5.132 -10.627 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.071 7.235 -10.238 1.00 0.00 O ATOM 0 H ASP A 70 4.059 6.608 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 70 5.423 4.442 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.166 6.490 -10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.944 7.422 -8.980 1.00 0.00 H new ATOM 1074 N GLU A 71 7.051 6.074 -6.660 1.00 0.00 N ATOM 1075 CA GLU A 71 8.106 5.945 -5.667 1.00 0.00 C ATOM 1076 C GLU A 71 7.745 4.851 -4.673 1.00 0.00 C ATOM 1077 O GLU A 71 8.606 4.316 -3.975 1.00 0.00 O ATOM 1078 CB GLU A 71 8.318 7.265 -4.926 1.00 0.00 C ATOM 1079 CG GLU A 71 9.641 7.332 -4.183 1.00 0.00 C ATOM 1080 CD GLU A 71 10.649 8.236 -4.866 1.00 0.00 C ATOM 1081 OE1 GLU A 71 11.156 7.854 -5.941 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.932 9.326 -4.325 1.00 0.00 O ATOM 0 H GLU A 71 6.517 6.941 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 71 9.032 5.683 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.269 8.087 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.503 7.410 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.466 7.691 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.057 6.328 -4.099 1.00 0.00 H new ATOM 1089 N ALA A 72 6.456 4.531 -4.613 1.00 0.00 N ATOM 1090 CA ALA A 72 5.965 3.495 -3.718 1.00 0.00 C ATOM 1091 C ALA A 72 6.508 2.129 -4.124 1.00 0.00 C ATOM 1092 O ALA A 72 7.023 1.386 -3.290 1.00 0.00 O ATOM 1093 CB ALA A 72 4.449 3.496 -3.690 1.00 0.00 C ATOM 0 H ALA A 72 5.732 4.977 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 72 6.322 3.708 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.097 2.715 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.092 4.465 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.066 3.309 -4.693 1.00 0.00 H new ATOM 1099 N VAL A 73 6.423 1.805 -5.412 1.00 0.00 N ATOM 1100 CA VAL A 73 6.983 0.551 -5.900 1.00 0.00 C ATOM 1101 C VAL A 73 8.462 0.503 -5.551 1.00 0.00 C ATOM 1102 O VAL A 73 9.020 -0.559 -5.275 1.00 0.00 O ATOM 1103 CB VAL A 73 6.798 0.368 -7.422 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.406 0.813 -7.857 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.878 1.111 -8.198 1.00 0.00 C ATOM 0 H VAL A 73 5.979 2.384 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 73 6.445 -0.264 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 73 6.897 -0.694 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.299 0.675 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.655 0.217 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.267 1.866 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.724 0.965 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.826 2.175 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.858 0.726 -7.917 1.00 0.00 H new ATOM 1115 N ALA A 74 9.071 1.683 -5.505 1.00 0.00 N ATOM 1116 CA ALA A 74 10.476 1.809 -5.152 1.00 0.00 C ATOM 1117 C ALA A 74 10.701 1.455 -3.684 1.00 0.00 C ATOM 1118 O ALA A 74 11.754 0.928 -3.325 1.00 0.00 O ATOM 1119 CB ALA A 74 10.979 3.215 -5.444 1.00 0.00 C ATOM 0 H ALA A 74 8.609 2.569 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 74 11.042 1.106 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.032 3.288 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.862 3.430 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.404 3.935 -4.862 1.00 0.00 H new ATOM 1125 N VAL A 75 9.709 1.739 -2.835 1.00 0.00 N ATOM 1126 CA VAL A 75 9.822 1.416 -1.414 1.00 0.00 C ATOM 1127 C VAL A 75 9.993 -0.088 -1.238 1.00 0.00 C ATOM 1128 O VAL A 75 10.679 -0.539 -0.323 1.00 0.00 O ATOM 1129 CB VAL A 75 8.619 1.924 -0.578 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.122 3.259 -1.111 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.486 0.903 -0.534 1.00 0.00 C ATOM 0 H VAL A 75 8.832 2.185 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 75 10.702 1.937 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 75 8.968 2.065 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.278 3.599 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.925 3.994 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.807 3.142 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.663 1.298 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.137 0.703 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.847 -0.022 -0.085 1.00 0.00 H new ATOM 1141 N LEU A 76 9.405 -0.855 -2.156 1.00 0.00 N ATOM 1142 CA LEU A 76 9.558 -2.304 -2.149 1.00 0.00 C ATOM 1143 C LEU A 76 10.993 -2.666 -2.484 1.00 0.00 C ATOM 1144 O LEU A 76 11.632 -3.454 -1.788 1.00 0.00 O ATOM 1145 CB LEU A 76 8.638 -2.956 -3.181 1.00 0.00 C ATOM 1146 CG LEU A 76 7.151 -2.668 -3.022 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.420 -3.037 -4.301 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.581 -3.430 -1.834 1.00 0.00 C ATOM 0 H LEU A 76 8.821 -0.495 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 76 9.295 -2.667 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.948 -2.629 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.786 -4.035 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 76 7.013 -1.603 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.356 -2.830 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.816 -2.449 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.563 -4.097 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.518 -3.211 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.718 -4.500 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.098 -3.125 -0.924 1.00 0.00 H new ATOM 1160 N GLN A 77 11.480 -2.085 -3.576 1.00 0.00 N ATOM 1161 CA GLN A 77 12.842 -2.307 -4.028 1.00 0.00 C ATOM 1162 C GLN A 77 13.824 -2.065 -2.889 1.00 0.00 C ATOM 1163 O GLN A 77 14.800 -2.797 -2.725 1.00 0.00 O ATOM 1164 CB GLN A 77 13.150 -1.386 -5.213 1.00 0.00 C ATOM 1165 CG GLN A 77 12.698 -1.948 -6.552 1.00 0.00 C ATOM 1166 CD GLN A 77 13.235 -3.341 -6.814 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.474 -4.301 -6.933 1.00 0.00 O ATOM 1168 NE2 GLN A 77 14.556 -3.459 -6.909 1.00 0.00 N ATOM 0 H GLN A 77 10.942 -1.451 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 77 12.947 -3.342 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.666 -0.423 -5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.224 -1.201 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.609 -1.972 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.025 -1.281 -7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.150 -2.637 -6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.975 -4.372 -7.087 1.00 0.00 H new ATOM 1177 N ALA A 78 13.542 -1.039 -2.091 1.00 0.00 N ATOM 1178 CA ALA A 78 14.367 -0.717 -0.934 1.00 0.00 C ATOM 1179 C ALA A 78 13.997 -1.596 0.259 1.00 0.00 C ATOM 1180 O ALA A 78 14.811 -1.819 1.155 1.00 0.00 O ATOM 1181 CB ALA A 78 14.225 0.754 -0.577 1.00 0.00 C ATOM 0 H ALA A 78 12.746 -0.416 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 78 15.408 -0.914 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.847 0.980 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.543 1.366 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.183 0.973 -0.342 1.00 0.00 H new ATOM 1187 N HIS A 79 12.757 -2.083 0.268 1.00 0.00 N ATOM 1188 CA HIS A 79 12.270 -2.929 1.353 1.00 0.00 C ATOM 1189 C HIS A 79 12.920 -4.309 1.303 1.00 0.00 C ATOM 1190 O HIS A 79 13.027 -4.993 2.321 1.00 0.00 O ATOM 1191 CB HIS A 79 10.741 -3.061 1.287 1.00 0.00 C ATOM 1192 CG HIS A 79 10.152 -3.859 2.410 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.094 -4.711 2.204 1.00 0.00 N ATOM 1194 CD2 HIS A 79 10.502 -3.896 3.721 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.825 -5.247 3.381 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.653 -4.784 4.328 1.00 0.00 N ATOM 0 H HIS A 79 12.071 -1.905 -0.466 1.00 0.00 H new ATOM 0 HA HIS A 79 12.542 -2.456 2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.299 -2.064 1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.467 -3.527 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.295 -3.335 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.039 -5.966 3.558 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.651 -5.044 5.314 1.00 0.00 H new ATOM 1204 N GLN A 80 13.350 -4.711 0.113 1.00 0.00 N ATOM 1205 CA GLN A 80 13.993 -6.006 -0.071 1.00 0.00 C ATOM 1206 C GLN A 80 15.480 -5.929 0.273 1.00 0.00 C ATOM 1207 O GLN A 80 16.038 -6.852 0.868 1.00 0.00 O ATOM 1208 CB GLN A 80 13.797 -6.487 -1.515 1.00 0.00 C ATOM 1209 CG GLN A 80 15.006 -7.197 -2.101 1.00 0.00 C ATOM 1210 CD GLN A 80 14.915 -7.359 -3.605 1.00 0.00 C ATOM 1211 OE1 GLN A 80 14.719 -8.465 -4.111 1.00 0.00 O ATOM 1212 NE2 GLN A 80 15.056 -6.255 -4.331 1.00 0.00 N ATOM 0 H GLN A 80 13.265 -4.158 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 80 13.529 -6.724 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.941 -7.161 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.553 -5.630 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 80 15.907 -6.636 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 80 15.105 -8.179 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.217 -5.359 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.003 -6.304 -5.348 1.00 0.00 H new ATOM 1221 N ALA A 81 16.115 -4.827 -0.113 1.00 0.00 N ATOM 1222 CA ALA A 81 17.540 -4.636 0.138 1.00 0.00 C ATOM 1223 C ALA A 81 17.812 -4.338 1.610 1.00 0.00 C ATOM 1224 O ALA A 81 18.810 -4.792 2.170 1.00 0.00 O ATOM 1225 CB ALA A 81 18.084 -3.516 -0.736 1.00 0.00 C ATOM 0 H ALA A 81 15.666 -4.052 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 81 18.051 -5.565 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.148 -3.384 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.939 -3.770 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.556 -2.590 -0.511 1.00 0.00 H new ATOM 1231 N LYS A 82 16.924 -3.566 2.227 1.00 0.00 N ATOM 1232 CA LYS A 82 17.078 -3.195 3.630 1.00 0.00 C ATOM 1233 C LYS A 82 16.777 -4.376 4.548 1.00 0.00 C ATOM 1234 O LYS A 82 17.301 -4.460 5.658 1.00 0.00 O ATOM 1235 CB LYS A 82 16.157 -2.021 3.971 1.00 0.00 C ATOM 1236 CG LYS A 82 16.892 -0.699 4.130 1.00 0.00 C ATOM 1237 CD LYS A 82 17.365 -0.160 2.788 1.00 0.00 C ATOM 1238 CE LYS A 82 17.814 1.289 2.895 1.00 0.00 C ATOM 1239 NZ LYS A 82 16.690 2.194 3.262 1.00 0.00 N ATOM 0 H LYS A 82 16.091 -3.185 1.779 1.00 0.00 H new ATOM 0 HA LYS A 82 18.114 -2.896 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.407 -1.918 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.624 -2.244 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.235 0.029 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.748 -0.834 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.189 -0.771 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.559 -0.239 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.604 1.370 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.241 1.608 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.932 3.171 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.830 1.903 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.522 2.141 4.287 1.00 0.00 H new ATOM 1253 N GLU A 83 15.929 -5.286 4.077 1.00 0.00 N ATOM 1254 CA GLU A 83 15.560 -6.462 4.858 1.00 0.00 C ATOM 1255 C GLU A 83 16.552 -7.598 4.637 1.00 0.00 C ATOM 1256 O GLU A 83 16.663 -8.507 5.460 1.00 0.00 O ATOM 1257 CB GLU A 83 14.150 -6.924 4.484 1.00 0.00 C ATOM 1258 CG GLU A 83 13.369 -7.501 5.654 1.00 0.00 C ATOM 1259 CD GLU A 83 12.088 -8.185 5.219 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.388 -7.636 4.342 1.00 0.00 O ATOM 1261 OE2 GLU A 83 11.785 -9.273 5.755 1.00 0.00 O ATOM 0 H GLU A 83 15.485 -5.232 3.160 1.00 0.00 H new ATOM 0 HA GLU A 83 15.580 -6.187 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.598 -6.080 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.219 -7.676 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.996 -8.216 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.130 -6.702 6.356 1.00 0.00 H new ATOM 1268 N ALA A 84 17.272 -7.540 3.521 1.00 0.00 N ATOM 1269 CA ALA A 84 18.253 -8.566 3.187 1.00 0.00 C ATOM 1270 C ALA A 84 19.562 -8.351 3.942 1.00 0.00 C ATOM 1271 O ALA A 84 20.573 -8.985 3.641 1.00 0.00 O ATOM 1272 CB ALA A 84 18.507 -8.583 1.687 1.00 0.00 C ATOM 0 H ALA A 84 17.194 -6.792 2.832 1.00 0.00 H new ATOM 0 HA ALA A 84 17.846 -9.530 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.241 -9.353 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 84 17.576 -8.797 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.886 -7.611 1.371 1.00 0.00 H new ATOM 1278 N ALA A 85 19.536 -7.453 4.923 1.00 0.00 N ATOM 1279 CA ALA A 85 20.723 -7.155 5.716 1.00 0.00 C ATOM 1280 C ALA A 85 20.914 -8.179 6.831 1.00 0.00 C ATOM 1281 O ALA A 85 21.857 -8.970 6.806 1.00 0.00 O ATOM 1282 CB ALA A 85 20.633 -5.752 6.295 1.00 0.00 C ATOM 0 H ALA A 85 18.707 -6.920 5.187 1.00 0.00 H new ATOM 0 HA ALA A 85 21.590 -7.210 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.526 -5.544 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.557 -5.028 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.752 -5.677 6.932 1.00 0.00 H new ATOM 1288 N GLN A 86 20.012 -8.158 7.809 1.00 0.00 N ATOM 1289 CA GLN A 86 20.084 -9.083 8.935 1.00 0.00 C ATOM 1290 C GLN A 86 19.500 -10.442 8.566 1.00 0.00 C ATOM 1291 O GLN A 86 19.410 -11.338 9.406 1.00 0.00 O ATOM 1292 CB GLN A 86 19.337 -8.506 10.140 1.00 0.00 C ATOM 1293 CG GLN A 86 20.162 -7.519 10.951 1.00 0.00 C ATOM 1294 CD GLN A 86 20.244 -7.894 12.417 1.00 0.00 C ATOM 1295 OE1 GLN A 86 21.303 -8.281 12.913 1.00 0.00 O ATOM 1296 NE2 GLN A 86 19.124 -7.779 13.121 1.00 0.00 N ATOM 0 H GLN A 86 19.224 -7.511 7.844 1.00 0.00 H new ATOM 0 HA GLN A 86 21.134 -9.219 9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.431 -8.010 9.792 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.023 -9.324 10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 86 21.169 -7.466 10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.726 -6.524 10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.269 -7.454 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 86 19.119 -8.015 14.113 1.00 0.00 H new ATOM 1305 N LYS A 87 19.108 -10.590 7.305 1.00 0.00 N ATOM 1306 CA LYS A 87 18.532 -11.840 6.824 1.00 0.00 C ATOM 1307 C LYS A 87 19.624 -12.793 6.347 1.00 0.00 C ATOM 1308 O LYS A 87 20.466 -12.427 5.527 1.00 0.00 O ATOM 1309 CB LYS A 87 17.549 -11.567 5.686 1.00 0.00 C ATOM 1310 CG LYS A 87 16.224 -12.294 5.838 1.00 0.00 C ATOM 1311 CD LYS A 87 15.068 -11.459 5.311 1.00 0.00 C ATOM 1312 CE LYS A 87 13.729 -11.997 5.790 1.00 0.00 C ATOM 1313 NZ LYS A 87 13.230 -13.097 4.921 1.00 0.00 N ATOM 0 H LYS A 87 19.179 -9.859 6.597 1.00 0.00 H new ATOM 0 HA LYS A 87 18.000 -12.308 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 87 17.361 -10.495 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.009 -11.860 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.264 -13.242 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.055 -12.529 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.185 -10.426 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.090 -11.452 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.828 -12.359 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.998 -11.188 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.315 -13.436 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.111 -12.745 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.915 -13.880 4.924 1.00 0.00 H new ATOM 1327 N ALA A 88 19.600 -14.018 6.863 1.00 0.00 N ATOM 1328 CA ALA A 88 20.583 -15.026 6.486 1.00 0.00 C ATOM 1329 C ALA A 88 20.174 -15.733 5.199 1.00 0.00 C ATOM 1330 O ALA A 88 19.616 -16.830 5.231 1.00 0.00 O ATOM 1331 CB ALA A 88 20.763 -16.035 7.611 1.00 0.00 C ATOM 0 H ALA A 88 18.910 -14.336 7.544 1.00 0.00 H new ATOM 0 HA ALA A 88 21.534 -14.524 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 88 21.500 -16.782 7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 88 21.107 -15.521 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 88 19.811 -16.525 7.816 1.00 0.00 H new ATOM 1337 N VAL A 89 20.452 -15.096 4.066 1.00 0.00 N ATOM 1338 CA VAL A 89 20.112 -15.665 2.767 1.00 0.00 C ATOM 1339 C VAL A 89 21.141 -16.708 2.341 1.00 0.00 C ATOM 1340 O VAL A 89 22.015 -16.435 1.517 1.00 0.00 O ATOM 1341 CB VAL A 89 20.018 -14.577 1.681 1.00 0.00 C ATOM 1342 CG1 VAL A 89 19.285 -15.107 0.458 1.00 0.00 C ATOM 1343 CG2 VAL A 89 19.330 -13.333 2.224 1.00 0.00 C ATOM 0 H VAL A 89 20.911 -14.186 4.021 1.00 0.00 H new ATOM 0 HA VAL A 89 19.137 -16.141 2.875 1.00 0.00 H new ATOM 0 HB VAL A 89 21.029 -14.302 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.228 -14.325 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.824 -15.964 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.278 -15.412 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.274 -12.577 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.323 -13.589 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.899 -12.941 3.067 1.00 0.00 H new ATOM 1353 N ASN A 90 21.031 -17.904 2.911 1.00 0.00 N ATOM 1354 CA ASN A 90 21.951 -18.990 2.594 1.00 0.00 C ATOM 1355 C ASN A 90 21.389 -19.873 1.485 1.00 0.00 C ATOM 1356 O ASN A 90 20.584 -20.769 1.740 1.00 0.00 O ATOM 1357 CB ASN A 90 22.227 -19.831 3.841 1.00 0.00 C ATOM 1358 CG ASN A 90 23.007 -19.069 4.894 1.00 0.00 C ATOM 1359 OD1 ASN A 90 22.454 -18.651 5.911 1.00 0.00 O ATOM 1360 ND2 ASN A 90 24.300 -18.886 4.655 1.00 0.00 N ATOM 0 H ASN A 90 20.314 -18.145 3.595 1.00 0.00 H new ATOM 0 HA ASN A 90 22.886 -18.551 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 90 21.281 -20.166 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 90 22.783 -20.724 3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 90 24.877 -18.381 5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 90 24.717 -19.250 3.798 1.00 0.00 H new ATOM 1367 N SER A 91 21.819 -19.615 0.254 1.00 0.00 N ATOM 1368 CA SER A 91 21.358 -20.387 -0.893 1.00 0.00 C ATOM 1369 C SER A 91 22.155 -21.680 -1.035 1.00 0.00 C ATOM 1370 O SER A 91 21.973 -22.431 -1.993 1.00 0.00 O ATOM 1371 CB SER A 91 21.480 -19.559 -2.174 1.00 0.00 C ATOM 1372 OG SER A 91 20.782 -18.330 -2.055 1.00 0.00 O ATOM 0 H SER A 91 22.486 -18.878 0.026 1.00 0.00 H new ATOM 0 HA SER A 91 20.311 -20.642 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 22.531 -19.365 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 91 21.084 -20.126 -3.016 1.00 0.00 H new ATOM 0 HG SER A 91 20.876 -17.818 -2.886 1.00 0.00 H new ATOM 1378 N ALA A 92 23.038 -21.932 -0.075 1.00 0.00 N ATOM 1379 CA ALA A 92 23.861 -23.136 -0.089 1.00 0.00 C ATOM 1380 C ALA A 92 23.031 -24.370 0.251 1.00 0.00 C ATOM 1381 O ALA A 92 22.801 -24.671 1.422 1.00 0.00 O ATOM 1382 CB ALA A 92 25.024 -22.992 0.881 1.00 0.00 C ATOM 0 H ALA A 92 23.202 -21.318 0.723 1.00 0.00 H new ATOM 0 HA ALA A 92 24.259 -23.265 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 92 25.630 -23.898 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 92 25.637 -22.139 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.640 -22.836 1.889 1.00 0.00 H new ATOM 1388 N THR A 93 22.581 -25.076 -0.781 1.00 0.00 N ATOM 1389 CA THR A 93 21.774 -26.277 -0.592 1.00 0.00 C ATOM 1390 C THR A 93 22.651 -27.524 -0.569 1.00 0.00 C ATOM 1391 O THR A 93 22.804 -28.167 0.469 1.00 0.00 O ATOM 1392 CB THR A 93 20.728 -26.394 -1.704 1.00 0.00 C ATOM 1393 OG1 THR A 93 21.312 -26.137 -2.968 1.00 0.00 O ATOM 1394 CG2 THR A 93 19.563 -25.445 -1.534 1.00 0.00 C ATOM 0 H THR A 93 22.761 -24.838 -1.756 1.00 0.00 H new ATOM 0 HA THR A 93 21.265 -26.196 0.369 1.00 0.00 H new ATOM 0 HB THR A 93 20.353 -27.416 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 93 20.629 -26.218 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 93 18.860 -25.581 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.061 -25.651 -0.589 1.00 0.00 H new ATOM 0 HG23 THR A 93 19.927 -24.418 -1.534 1.00 0.00 H new ATOM 1402 N GLY A 94 23.226 -27.859 -1.721 1.00 0.00 N ATOM 1403 CA GLY A 94 24.081 -29.028 -1.811 1.00 0.00 C ATOM 1404 C GLY A 94 25.517 -28.728 -1.430 1.00 0.00 C ATOM 1405 O GLY A 94 25.796 -28.341 -0.295 1.00 0.00 O ATOM 0 H GLY A 94 23.115 -27.341 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 94 23.691 -29.810 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.052 -29.418 -2.829 1.00 0.00 H new ATOM 1409 N VAL A 95 26.429 -28.907 -2.380 1.00 0.00 N ATOM 1410 CA VAL A 95 27.845 -28.652 -2.138 1.00 0.00 C ATOM 1411 C VAL A 95 28.164 -27.163 -2.260 1.00 0.00 C ATOM 1412 O VAL A 95 27.849 -26.536 -3.271 1.00 0.00 O ATOM 1413 CB VAL A 95 28.737 -29.437 -3.119 1.00 0.00 C ATOM 1414 CG1 VAL A 95 30.176 -29.466 -2.625 1.00 0.00 C ATOM 1415 CG2 VAL A 95 28.206 -30.849 -3.314 1.00 0.00 C ATOM 0 H VAL A 95 26.213 -29.227 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 95 28.055 -28.986 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 95 28.717 -28.930 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 95 30.792 -30.025 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 95 30.553 -28.447 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 95 30.216 -29.948 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 95 28.850 -31.387 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 95 28.193 -31.369 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 95 27.194 -30.805 -3.716 1.00 0.00 H new ATOM 1425 N PRO A 96 28.797 -26.575 -1.227 1.00 0.00 N ATOM 1426 CA PRO A 96 29.156 -25.153 -1.230 1.00 0.00 C ATOM 1427 C PRO A 96 30.255 -24.836 -2.239 1.00 0.00 C ATOM 1428 O PRO A 96 31.443 -24.942 -1.934 1.00 0.00 O ATOM 1429 CB PRO A 96 29.650 -24.905 0.197 1.00 0.00 C ATOM 1430 CG PRO A 96 30.111 -26.237 0.676 1.00 0.00 C ATOM 1431 CD PRO A 96 29.212 -27.247 0.020 1.00 0.00 C ATOM 0 HA PRO A 96 28.315 -24.522 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 96 30.460 -24.176 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 96 28.854 -24.511 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 96 31.153 -26.409 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 96 30.047 -26.305 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 96 29.737 -28.181 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 96 28.356 -27.492 0.649 1.00 0.00 H new ATOM 1439 N THR A 97 29.849 -24.451 -3.445 1.00 0.00 N ATOM 1440 CA THR A 97 30.796 -24.121 -4.503 1.00 0.00 C ATOM 1441 C THR A 97 31.174 -22.645 -4.456 1.00 0.00 C ATOM 1442 O THR A 97 32.350 -22.299 -4.349 1.00 0.00 O ATOM 1443 CB THR A 97 30.203 -24.466 -5.871 1.00 0.00 C ATOM 1444 OG1 THR A 97 28.803 -24.237 -5.883 1.00 0.00 O ATOM 1445 CG2 THR A 97 30.437 -25.903 -6.282 1.00 0.00 C ATOM 0 H THR A 97 28.869 -24.360 -3.713 1.00 0.00 H new ATOM 0 HA THR A 97 31.699 -24.712 -4.346 1.00 0.00 H new ATOM 0 HB THR A 97 30.716 -23.816 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 97 28.442 -24.462 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 97 29.991 -26.079 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 97 31.508 -26.097 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 97 29.981 -26.570 -5.550 1.00 0.00 H new ATOM 1453 N VAL A 98 30.169 -21.778 -4.536 1.00 0.00 N ATOM 1454 CA VAL A 98 30.398 -20.337 -4.504 1.00 0.00 C ATOM 1455 C VAL A 98 29.623 -19.681 -3.365 1.00 0.00 C ATOM 1456 O VAL A 98 28.573 -20.232 -2.974 1.00 0.00 O ATOM 1457 CB VAL A 98 30.001 -19.674 -5.838 1.00 0.00 C ATOM 1458 CG1 VAL A 98 28.508 -19.827 -6.093 1.00 0.00 C ATOM 1459 CG2 VAL A 98 30.405 -18.208 -5.850 1.00 0.00 C ATOM 1460 OXT VAL A 98 30.146 -18.708 -2.781 1.00 0.00 O ATOM 0 H VAL A 98 29.189 -22.048 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 98 31.466 -20.190 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 98 30.535 -20.180 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 98 28.250 -19.352 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 98 28.253 -20.886 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 98 27.950 -19.353 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 98 30.116 -17.759 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.904 -17.686 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 98 31.485 -18.127 -5.724 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 11.527 -1.603 11.306 1.00 0.00 N ATOM 1472 CA VAL B 1 10.718 -0.521 10.689 1.00 0.00 C ATOM 1473 C VAL B 1 11.146 -0.272 9.246 1.00 0.00 C ATOM 1474 O VAL B 1 12.337 -0.248 8.936 1.00 0.00 O ATOM 1475 CB VAL B 1 10.836 0.793 11.490 1.00 0.00 C ATOM 1476 CG1 VAL B 1 12.288 1.238 11.582 1.00 0.00 C ATOM 1477 CG2 VAL B 1 9.974 1.881 10.868 1.00 0.00 C ATOM 0 H1 VAL B 1 11.724 -1.366 12.299 1.00 0.00 H new ATOM 0 H2 VAL B 1 11.000 -2.499 11.262 1.00 0.00 H new ATOM 0 H3 VAL B 1 12.424 -1.703 10.790 1.00 0.00 H new ATOM 0 HA VAL B 1 9.679 -0.851 10.702 1.00 0.00 H new ATOM 0 HB VAL B 1 10.473 0.611 12.502 1.00 0.00 H new ATOM 0 HG11 VAL B 1 12.349 2.166 12.151 1.00 0.00 H new ATOM 0 HG12 VAL B 1 12.874 0.467 12.082 1.00 0.00 H new ATOM 0 HG13 VAL B 1 12.683 1.400 10.579 1.00 0.00 H new ATOM 0 HG21 VAL B 1 10.072 2.799 11.448 1.00 0.00 H new ATOM 0 HG22 VAL B 1 10.300 2.063 9.844 1.00 0.00 H new ATOM 0 HG23 VAL B 1 8.932 1.563 10.866 1.00 0.00 H new ATOM 1489 N VAL B 2 10.165 -0.094 8.366 1.00 0.00 N ATOM 1490 CA VAL B 2 10.439 0.153 6.956 1.00 0.00 C ATOM 1491 C VAL B 2 10.336 1.638 6.630 1.00 0.00 C ATOM 1492 O VAL B 2 9.244 2.203 6.595 1.00 0.00 O ATOM 1493 CB VAL B 2 9.469 -0.629 6.048 1.00 0.00 C ATOM 1494 CG1 VAL B 2 9.904 -0.532 4.593 1.00 0.00 C ATOM 1495 CG2 VAL B 2 9.378 -2.082 6.489 1.00 0.00 C ATOM 0 H VAL B 2 9.174 -0.116 8.605 1.00 0.00 H new ATOM 0 HA VAL B 2 11.456 -0.189 6.767 1.00 0.00 H new ATOM 0 HB VAL B 2 8.478 -0.184 6.138 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.208 -1.090 3.967 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.912 0.513 4.284 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.905 -0.950 4.484 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.689 -2.618 5.836 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.364 -2.542 6.431 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.016 -2.129 7.516 1.00 0.00 H new ATOM 1505 N LYS B 3 11.484 2.266 6.389 1.00 0.00 N ATOM 1506 CA LYS B 3 11.526 3.685 6.064 1.00 0.00 C ATOM 1507 C LYS B 3 11.305 3.906 4.570 1.00 0.00 C ATOM 1508 O LYS B 3 12.145 3.537 3.749 1.00 0.00 O ATOM 1509 CB LYS B 3 12.869 4.282 6.491 1.00 0.00 C ATOM 1510 CG LYS B 3 13.080 5.712 6.024 1.00 0.00 C ATOM 1511 CD LYS B 3 14.274 6.352 6.712 1.00 0.00 C ATOM 1512 CE LYS B 3 14.025 7.823 7.006 1.00 0.00 C ATOM 1513 NZ LYS B 3 15.290 8.555 7.286 1.00 0.00 N ATOM 0 H LYS B 3 12.397 1.812 6.413 1.00 0.00 H new ATOM 0 HA LYS B 3 10.724 4.186 6.607 1.00 0.00 H new ATOM 0 HB2 LYS B 3 12.941 4.250 7.578 1.00 0.00 H new ATOM 0 HB3 LYS B 3 13.674 3.659 6.100 1.00 0.00 H new ATOM 0 HG2 LYS B 3 13.231 5.725 4.945 1.00 0.00 H new ATOM 0 HG3 LYS B 3 12.184 6.298 6.228 1.00 0.00 H new ATOM 0 HD2 LYS B 3 14.485 5.825 7.642 1.00 0.00 H new ATOM 0 HD3 LYS B 3 15.157 6.250 6.081 1.00 0.00 H new ATOM 0 HE2 LYS B 3 13.520 8.283 6.156 1.00 0.00 H new ATOM 0 HE3 LYS B 3 13.356 7.914 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 15.077 9.554 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 15.760 8.133 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 15.919 8.490 6.460 1.00 0.00 H new ATOM 1527 N SER B 4 10.172 4.510 4.225 1.00 0.00 N ATOM 1528 CA SER B 4 9.842 4.779 2.829 1.00 0.00 C ATOM 1529 C SER B 4 10.372 6.140 2.394 1.00 0.00 C ATOM 1530 O SER B 4 11.060 6.821 3.154 1.00 0.00 O ATOM 1531 CB SER B 4 8.327 4.720 2.621 1.00 0.00 C ATOM 1532 OG SER B 4 7.926 3.446 2.151 1.00 0.00 O ATOM 0 H SER B 4 9.467 4.822 4.893 1.00 0.00 H new ATOM 0 HA SER B 4 10.318 4.013 2.217 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.819 4.941 3.560 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.025 5.486 1.907 1.00 0.00 H new ATOM 0 HG SER B 4 6.954 3.434 2.028 1.00 0.00 H new ATOM 1538 N ASN B 5 10.047 6.528 1.165 1.00 0.00 N ATOM 1539 CA ASN B 5 10.485 7.809 0.627 1.00 0.00 C ATOM 1540 C ASN B 5 9.336 8.811 0.599 1.00 0.00 C ATOM 1541 O ASN B 5 9.530 10.001 0.847 1.00 0.00 O ATOM 1542 CB ASN B 5 11.054 7.628 -0.783 1.00 0.00 C ATOM 1543 CG ASN B 5 12.526 7.985 -0.863 1.00 0.00 C ATOM 1544 OD1 ASN B 5 13.241 7.949 0.139 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.986 8.334 -2.058 1.00 0.00 N ATOM 0 H ASN B 5 9.481 5.973 0.523 1.00 0.00 H new ATOM 0 HA ASN B 5 11.266 8.199 1.279 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.916 6.593 -1.097 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.494 8.250 -1.481 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.968 8.586 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.358 8.350 -2.861 1.00 0.00 H new ATOM 1552 N LEU B 6 8.138 8.319 0.299 1.00 0.00 N ATOM 1553 CA LEU B 6 6.954 9.168 0.245 1.00 0.00 C ATOM 1554 C LEU B 6 6.372 9.377 1.641 1.00 0.00 C ATOM 1555 O LEU B 6 6.583 10.419 2.262 1.00 0.00 O ATOM 1556 CB LEU B 6 5.893 8.543 -0.670 1.00 0.00 C ATOM 1557 CG LEU B 6 5.117 9.517 -1.570 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.041 10.909 -0.954 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.748 9.579 -2.952 1.00 0.00 C ATOM 0 H LEU B 6 7.962 7.336 0.090 1.00 0.00 H new ATOM 0 HA LEU B 6 7.250 10.137 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.381 7.804 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.177 8.006 -0.048 1.00 0.00 H new ATOM 0 HG LEU B 6 4.098 9.142 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.485 11.571 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.535 10.853 0.010 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.049 11.300 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.187 10.273 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.779 9.921 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.731 8.588 -3.405 1.00 0.00 H new ATOM 1571 N ASN B 7 5.639 8.378 2.127 1.00 0.00 N ATOM 1572 CA ASN B 7 5.023 8.452 3.449 1.00 0.00 C ATOM 1573 C ASN B 7 6.001 8.020 4.536 1.00 0.00 C ATOM 1574 O ASN B 7 6.567 6.929 4.472 1.00 0.00 O ATOM 1575 CB ASN B 7 3.782 7.564 3.511 1.00 0.00 C ATOM 1576 CG ASN B 7 2.678 8.171 4.353 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.176 7.403 5.313 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.282 9.318 4.145 1.00 0.00 N flip ATOM 0 H ASN B 7 5.457 7.509 1.626 1.00 0.00 H new ATOM 0 HA ASN B 7 4.739 9.490 3.621 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.411 7.392 2.501 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.055 6.591 3.921 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.697 9.873 3.396 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.539 9.714 4.722 1.00 0.00 H new ATOM 1585 N PRO B 8 6.187 8.854 5.573 1.00 0.00 N ATOM 1586 CA PRO B 8 7.073 8.530 6.687 1.00 0.00 C ATOM 1587 C PRO B 8 6.407 7.594 7.689 1.00 0.00 C ATOM 1588 O PRO B 8 6.889 7.421 8.809 1.00 0.00 O ATOM 1589 CB PRO B 8 7.337 9.893 7.319 1.00 0.00 C ATOM 1590 CG PRO B 8 6.093 10.673 7.059 1.00 0.00 C ATOM 1591 CD PRO B 8 5.544 10.173 5.746 1.00 0.00 C ATOM 0 HA PRO B 8 7.976 8.010 6.367 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.533 9.804 8.387 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.208 10.375 6.874 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.370 10.530 7.862 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.307 11.741 7.009 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.458 10.088 5.773 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.790 10.848 4.927 1.00 0.00 H new ATOM 1599 N ASN B 9 5.284 7.007 7.282 1.00 0.00 N ATOM 1600 CA ASN B 9 4.539 6.096 8.145 1.00 0.00 C ATOM 1601 C ASN B 9 4.352 4.733 7.483 1.00 0.00 C ATOM 1602 O ASN B 9 3.380 4.032 7.756 1.00 0.00 O ATOM 1603 CB ASN B 9 3.176 6.696 8.491 1.00 0.00 C ATOM 1604 CG ASN B 9 3.275 8.146 8.927 1.00 0.00 C ATOM 1605 OD1 ASN B 9 4.188 8.526 9.658 1.00 0.00 O ATOM 1606 ND2 ASN B 9 2.331 8.964 8.476 1.00 0.00 N ATOM 0 H ASN B 9 4.871 7.146 6.360 1.00 0.00 H new ATOM 0 HA ASN B 9 5.115 5.954 9.059 1.00 0.00 H new ATOM 0 HB2 ASN B 9 2.520 6.625 7.623 1.00 0.00 H new ATOM 0 HB3 ASN B 9 2.716 6.111 9.287 1.00 0.00 H new ATOM 0 HD21 ASN B 9 2.345 9.951 8.734 1.00 0.00 H new ATOM 0 HD22 ASN B 9 1.592 8.606 7.871 1.00 0.00 H new ATOM 1613 N ALA B 10 5.289 4.366 6.614 1.00 0.00 N ATOM 1614 CA ALA B 10 5.224 3.091 5.909 1.00 0.00 C ATOM 1615 C ALA B 10 5.209 1.906 6.877 1.00 0.00 C ATOM 1616 O ALA B 10 6.259 1.442 7.321 1.00 0.00 O ATOM 1617 CB ALA B 10 6.395 2.971 4.947 1.00 0.00 C ATOM 0 H ALA B 10 6.103 4.935 6.381 1.00 0.00 H new ATOM 0 HA ALA B 10 4.290 3.067 5.348 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.340 2.016 4.424 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.356 3.784 4.223 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.330 3.026 5.504 1.00 0.00 H new ATOM 1623 N LYS B 11 4.011 1.406 7.181 1.00 0.00 N ATOM 1624 CA LYS B 11 3.857 0.255 8.072 1.00 0.00 C ATOM 1625 C LYS B 11 2.949 -0.795 7.436 1.00 0.00 C ATOM 1626 O LYS B 11 2.505 -0.631 6.306 1.00 0.00 O ATOM 1627 CB LYS B 11 3.281 0.689 9.423 1.00 0.00 C ATOM 1628 CG LYS B 11 3.757 2.058 9.880 1.00 0.00 C ATOM 1629 CD LYS B 11 4.344 2.006 11.281 1.00 0.00 C ATOM 1630 CE LYS B 11 4.130 3.315 12.024 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.722 3.471 12.482 1.00 0.00 N ATOM 0 H LYS B 11 3.132 1.780 6.823 1.00 0.00 H new ATOM 0 HA LYS B 11 4.843 -0.180 8.235 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.193 0.696 9.359 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.551 -0.050 10.177 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.507 2.434 9.184 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.923 2.760 9.860 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.884 1.190 11.839 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.411 1.790 11.222 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.798 3.357 12.884 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.394 4.149 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.689 4.134 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.142 3.841 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.350 2.547 12.782 1.00 0.00 H new ATOM 1645 N GLU B 12 2.693 -1.885 8.150 1.00 0.00 N ATOM 1646 CA GLU B 12 1.828 -2.946 7.635 1.00 0.00 C ATOM 1647 C GLU B 12 0.375 -2.476 7.546 1.00 0.00 C ATOM 1648 O GLU B 12 -0.012 -1.507 8.198 1.00 0.00 O ATOM 1649 CB GLU B 12 1.924 -4.190 8.519 1.00 0.00 C ATOM 1650 CG GLU B 12 2.123 -5.478 7.735 1.00 0.00 C ATOM 1651 CD GLU B 12 2.694 -6.596 8.585 1.00 0.00 C ATOM 1652 OE1 GLU B 12 2.235 -6.762 9.736 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.599 -7.307 8.101 1.00 0.00 O ATOM 0 H GLU B 12 3.068 -2.059 9.082 1.00 0.00 H new ATOM 0 HA GLU B 12 2.168 -3.198 6.631 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.752 -4.067 9.217 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.015 -4.274 9.115 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.168 -5.796 7.317 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.791 -5.288 6.895 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.429 -3.184 6.754 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.842 -2.845 6.593 1.00 0.00 C ATOM 1662 C PHE B 13 -2.687 -3.541 7.653 1.00 0.00 C ATOM 1663 O PHE B 13 -2.852 -4.762 7.631 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.337 -3.244 5.193 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.672 -2.648 4.797 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.410 -1.868 5.681 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.195 -2.884 3.531 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.632 -1.337 5.310 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.416 -2.353 3.159 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.133 -1.581 4.049 1.00 0.00 C ATOM 0 H PHE B 13 -0.126 -3.995 6.214 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.944 -1.766 6.712 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.589 -2.943 4.459 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.412 -4.330 5.145 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.024 -1.674 6.671 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.641 -3.490 2.829 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.193 -0.732 6.007 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.809 -2.543 2.171 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.087 -1.167 3.758 1.00 0.00 H new ATOM 1680 N VAL B 14 -3.232 -2.752 8.572 1.00 0.00 N ATOM 1681 CA VAL B 14 -4.086 -3.278 9.625 1.00 0.00 C ATOM 1682 C VAL B 14 -5.523 -2.797 9.435 1.00 0.00 C ATOM 1683 O VAL B 14 -5.904 -1.740 9.942 1.00 0.00 O ATOM 1684 CB VAL B 14 -3.586 -2.862 11.020 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -2.514 -3.824 11.509 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -3.060 -1.435 11.000 1.00 0.00 C ATOM 0 H VAL B 14 -3.095 -1.742 8.607 1.00 0.00 H new ATOM 0 HA VAL B 14 -4.053 -4.365 9.559 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.427 -2.903 11.713 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -2.171 -3.515 12.497 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -2.928 -4.831 11.567 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -1.674 -3.816 10.815 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.712 -1.162 11.996 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -2.233 -1.362 10.294 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.858 -0.757 10.696 1.00 0.00 H new ATOM 1696 N PRO B 15 -6.333 -3.550 8.668 1.00 0.00 N ATOM 1697 CA PRO B 15 -7.727 -3.182 8.381 1.00 0.00 C ATOM 1698 C PRO B 15 -8.549 -2.948 9.643 1.00 0.00 C ATOM 1699 O PRO B 15 -8.037 -3.024 10.760 1.00 0.00 O ATOM 1700 CB PRO B 15 -8.268 -4.389 7.610 1.00 0.00 C ATOM 1701 CG PRO B 15 -7.064 -5.036 7.019 1.00 0.00 C ATOM 1702 CD PRO B 15 -5.954 -4.814 8.008 1.00 0.00 C ATOM 0 HA PRO B 15 -7.786 -2.243 7.830 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -8.800 -5.073 8.270 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -8.971 -4.081 6.836 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -7.233 -6.100 6.853 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -6.819 -4.598 6.051 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -5.882 -5.634 8.722 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -4.985 -4.735 7.514 1.00 0.00 H new ATOM 1710 N GLY B 16 -9.837 -2.685 9.453 1.00 0.00 N ATOM 1711 CA GLY B 16 -10.721 -2.436 10.578 1.00 0.00 C ATOM 1712 C GLY B 16 -10.692 -0.990 11.030 1.00 0.00 C ATOM 1713 O GLY B 16 -11.732 -0.411 11.345 1.00 0.00 O ATOM 0 H GLY B 16 -10.286 -2.640 8.538 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.740 -2.707 10.302 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.435 -3.079 11.410 1.00 0.00 H new ATOM 1717 N VAL B 17 -9.501 -0.402 11.057 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.345 0.989 11.466 1.00 0.00 C ATOM 1719 C VAL B 17 -8.841 1.852 10.314 1.00 0.00 C ATOM 1720 O VAL B 17 -8.116 1.376 9.440 1.00 0.00 O ATOM 1721 CB VAL B 17 -8.379 1.122 12.660 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -8.832 0.242 13.813 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -6.957 0.775 12.245 1.00 0.00 C ATOM 0 H VAL B 17 -8.630 -0.867 10.801 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.332 1.339 11.769 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.391 2.159 12.995 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.138 0.349 14.647 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.830 0.544 14.131 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -8.853 -0.799 13.490 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.293 0.876 13.103 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -6.925 -0.251 11.880 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -6.633 1.452 11.454 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.227 3.123 10.322 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.806 4.057 9.284 1.00 0.00 C ATOM 1735 C LYS B 18 -7.348 4.458 9.485 1.00 0.00 C ATOM 1736 O LYS B 18 -7.048 5.396 10.224 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.695 5.303 9.297 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.145 5.023 8.939 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.816 6.247 8.334 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.324 6.206 8.520 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.727 6.611 9.896 1.00 0.00 N ATOM 0 H LYS B 18 -9.831 3.530 11.036 1.00 0.00 H new ATOM 0 HA LYS B 18 -8.904 3.562 8.318 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.656 5.756 10.288 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.292 6.034 8.596 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.193 4.194 8.233 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.688 4.713 9.832 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.416 7.149 8.797 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.581 6.304 7.271 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.797 6.867 7.794 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.687 5.198 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.763 6.569 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.297 5.965 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.403 7.582 10.081 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.445 3.737 8.830 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.018 4.010 8.946 1.00 0.00 C ATOM 1757 C TYR B 19 -4.675 5.380 8.368 1.00 0.00 C ATOM 1758 O TYR B 19 -4.882 5.635 7.182 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.213 2.922 8.229 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.049 2.381 9.037 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.086 2.357 10.427 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -1.919 1.880 8.404 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.023 1.864 11.160 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.854 1.382 9.130 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.912 1.375 10.508 1.00 0.00 C ATOM 1766 OH TYR B 19 0.146 0.879 11.234 1.00 0.00 O ATOM 0 H TYR B 19 -6.676 2.959 8.213 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.757 4.010 10.004 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.880 2.098 7.976 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.834 3.325 7.290 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.959 2.730 10.942 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.872 1.880 7.325 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.063 1.862 12.239 1.00 0.00 H new ATOM 0 HE2 TYR B 19 0.019 1.000 8.621 1.00 0.00 H new ATOM 0 HH TYR B 19 0.598 0.179 10.718 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.157 6.260 9.219 1.00 0.00 N ATOM 1777 CA GLY B 20 -3.791 7.594 8.779 1.00 0.00 C ATOM 1778 C GLY B 20 -4.923 8.589 8.937 1.00 0.00 C ATOM 1779 O GLY B 20 -5.041 9.532 8.154 1.00 0.00 O ATOM 0 H GLY B 20 -3.984 6.073 10.207 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.928 7.937 9.350 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.487 7.557 7.733 1.00 0.00 H new ATOM 1783 N ASN B 21 -5.754 8.382 9.954 1.00 0.00 N ATOM 1784 CA ASN B 21 -6.881 9.269 10.214 1.00 0.00 C ATOM 1785 C ASN B 21 -6.560 10.243 11.342 1.00 0.00 C ATOM 1786 O ASN B 21 -7.388 11.077 11.711 1.00 0.00 O ATOM 1787 CB ASN B 21 -8.125 8.452 10.570 1.00 0.00 C ATOM 1788 CG ASN B 21 -9.411 9.173 10.222 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -9.626 9.564 9.075 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -10.275 9.353 11.214 1.00 0.00 N ATOM 0 H ASN B 21 -5.667 7.607 10.611 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.076 9.843 9.308 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.093 7.498 10.043 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -8.115 8.227 11.637 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -11.159 9.832 11.040 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -10.055 9.012 12.150 1.00 0.00 H new ATOM 1797 N ILE B 22 -5.354 10.130 11.889 1.00 0.00 N ATOM 1798 CA ILE B 22 -4.923 11.000 12.977 1.00 0.00 C ATOM 1799 C ILE B 22 -3.626 11.721 12.620 1.00 0.00 C ATOM 1800 O ILE B 22 -3.393 12.822 13.162 1.00 0.00 O ATOM 1801 CB ILE B 22 -4.722 10.206 14.284 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -4.488 11.158 15.460 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -3.561 9.232 14.146 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -5.758 11.553 16.182 1.00 0.00 C ATOM 1805 OXT ILE B 22 -2.856 11.180 11.797 1.00 0.00 O ATOM 0 H ILE B 22 -4.658 9.444 11.596 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.712 11.736 13.130 1.00 0.00 H new ATOM 0 HB ILE B 22 -5.628 9.633 14.480 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -3.809 10.685 16.169 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -3.993 12.058 15.095 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -3.435 8.681 15.078 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -3.767 8.532 13.336 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -2.647 9.784 13.924 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -5.515 12.228 17.003 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -6.431 12.055 15.487 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -6.244 10.661 16.578 1.00 0.00 H new TER 1817 ILE B 22