USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HE2:sc= 0.422 K(o=-0.89,f=-8.1!) USER MOD Set 1.2: A 96 MET CE :methyl -131:sc= -1.31 (180deg=-2.61!) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.0319 K(o=1,f=-5.1!) USER MOD Set 2.2: A 86 TYR OH : rot 36:sc= 0.972 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 149:sc= 1.14 (180deg=-0.669) USER MOD Set 3.2: A 69 TYR OH : rot 30:sc= 0.351 USER MOD Set 4.1: A 9 HIS : no HE2:sc= -0.82 K(o=0.19,f=-9!) USER MOD Set 4.2: A 22 SER OG : rot -124:sc= 1.01 USER MOD Set 5.1: A 6 ASN : amide:sc= 0.568 K(o=1.3,f=-2.4) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.711 K(o=1.3,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -17:sc= 0.589 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.237 X(o=-0.24,f=-0.35) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 32 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.46) USER MOD Single : A 33 GLN : amide:sc= 1.32 K(o=1.3,f=-0.18) USER MOD Single : A 35 MET CE :methyl -142:sc= -0.634 (180deg=-2.46!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0949 (180deg=-0.394) USER MOD Single : A 43 SER OG : rot 68:sc= -0.17 USER MOD Single : A 46 SER OG : rot 101:sc= 1.28 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.285 X(o=-0.29,f=0.035) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.116 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0491) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.353 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc=-0.00154 (180deg=-0.163) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc=-0.00464 (180deg=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 0.727 (180deg=-0.49) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 1.31 (180deg=0.265) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -142:sc= 1.08 USER MOD Single : A 89 GLN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= 0.11 (180deg=-0.941!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 75:sc= 0.829 USER MOD Single : A 101 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.047) USER MOD Single : A 104 SER OG : rot 93:sc= 1.32 USER MOD Single : A 105 SER OG : rot 93:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.098 -12.109 -17.568 1.00 1.74 N ATOM 2 CA MET A 1 -9.331 -12.705 -16.225 1.00 1.02 C ATOM 3 C MET A 1 -9.318 -11.614 -15.154 1.00 0.87 C ATOM 4 O MET A 1 -10.277 -11.475 -14.388 1.00 1.29 O ATOM 5 CB MET A 1 -8.273 -13.764 -15.898 1.00 1.60 C ATOM 6 CG MET A 1 -8.746 -14.709 -14.788 1.00 2.33 C ATOM 7 SD MET A 1 -9.555 -16.182 -15.439 1.00 3.31 S ATOM 8 CE MET A 1 -8.540 -17.484 -14.715 1.00 4.33 C ATOM 0 H1 MET A 1 -9.109 -12.860 -18.288 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.848 -11.419 -17.776 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.174 -11.631 -17.580 1.00 1.74 H new ATOM 0 HA MET A 1 -10.308 -13.188 -16.238 1.00 1.02 H new ATOM 0 HB2 MET A 1 -8.045 -14.340 -16.795 1.00 1.60 H new ATOM 0 HB3 MET A 1 -7.349 -13.274 -15.590 1.00 1.60 H new ATOM 0 HG2 MET A 1 -7.892 -15.006 -14.179 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.436 -14.178 -14.132 1.00 2.33 H new ATOM 0 HE1 MET A 1 -8.919 -18.457 -15.028 1.00 4.33 H new ATOM 0 HE2 MET A 1 -7.509 -17.371 -15.051 1.00 4.33 H new ATOM 0 HE3 MET A 1 -8.578 -17.413 -13.628 1.00 4.33 H new ATOM 20 N GLU A 2 -8.222 -10.847 -15.100 1.00 0.51 N ATOM 21 CA GLU A 2 -8.060 -9.760 -14.122 1.00 0.37 C ATOM 22 C GLU A 2 -7.824 -8.439 -14.848 1.00 0.34 C ATOM 23 O GLU A 2 -7.174 -8.409 -15.895 1.00 0.48 O ATOM 24 CB GLU A 2 -6.868 -10.039 -13.199 1.00 0.53 C ATOM 25 CG GLU A 2 -6.980 -11.402 -12.504 1.00 0.96 C ATOM 26 CD GLU A 2 -5.772 -12.267 -12.834 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.633 -11.812 -12.614 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.956 -13.394 -13.330 1.00 2.16 O ATOM 0 H GLU A 2 -7.426 -10.960 -15.728 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.970 -9.699 -13.526 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.946 -10.003 -13.779 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.802 -9.254 -12.446 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.051 -11.262 -11.425 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.893 -11.905 -12.822 1.00 0.96 H new ATOM 35 N GLY A 3 -8.331 -7.348 -14.285 1.00 0.25 N ATOM 36 CA GLY A 3 -8.152 -6.030 -14.891 1.00 0.28 C ATOM 37 C GLY A 3 -9.022 -4.972 -14.217 1.00 0.22 C ATOM 38 O GLY A 3 -9.857 -5.286 -13.362 1.00 0.22 O ATOM 0 H GLY A 3 -8.866 -7.347 -13.416 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.104 -5.737 -14.821 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.398 -6.081 -15.952 1.00 0.28 H new ATOM 42 N PHE A 4 -8.830 -3.715 -14.624 1.00 0.24 N ATOM 43 CA PHE A 4 -9.597 -2.583 -14.089 1.00 0.21 C ATOM 44 C PHE A 4 -10.861 -2.370 -14.922 1.00 0.22 C ATOM 45 O PHE A 4 -10.856 -2.588 -16.134 1.00 0.27 O ATOM 46 CB PHE A 4 -8.751 -1.305 -14.116 1.00 0.23 C ATOM 47 CG PHE A 4 -7.826 -1.179 -12.932 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.337 -0.904 -11.674 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.462 -1.338 -13.104 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.486 -0.794 -10.591 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.611 -1.228 -12.021 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.134 -0.938 -10.755 1.00 0.41 C ATOM 0 H PHE A 4 -8.142 -3.452 -15.330 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.872 -2.808 -13.058 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.162 -1.287 -15.033 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.413 -0.440 -14.145 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.401 -0.776 -11.540 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.063 -1.548 -14.085 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.889 -0.593 -9.609 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.548 -1.365 -12.150 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.472 -0.828 -9.909 1.00 0.41 H new ATOM 62 N LEU A 5 -11.930 -1.941 -14.261 1.00 0.19 N ATOM 63 CA LEU A 5 -13.217 -1.693 -14.917 1.00 0.21 C ATOM 64 C LEU A 5 -13.990 -0.612 -14.162 1.00 0.20 C ATOM 65 O LEU A 5 -13.939 -0.539 -12.935 1.00 0.21 O ATOM 66 CB LEU A 5 -14.055 -2.986 -14.936 1.00 0.23 C ATOM 67 CG LEU A 5 -13.943 -3.739 -16.266 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.701 -5.064 -16.195 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.457 -2.886 -17.425 1.00 0.31 C ATOM 0 H LEU A 5 -11.934 -1.755 -13.258 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.029 -1.362 -15.938 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.730 -3.638 -14.125 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.100 -2.740 -14.748 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.889 -3.951 -16.447 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.611 -5.586 -17.148 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.280 -5.682 -15.402 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.753 -4.871 -15.985 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.366 -3.445 -18.356 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.503 -2.633 -17.255 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.869 -1.971 -17.492 1.00 0.31 H new ATOM 81 N ASN A 6 -14.746 0.194 -14.901 1.00 0.22 N ATOM 82 CA ASN A 6 -15.582 1.240 -14.312 1.00 0.23 C ATOM 83 C ASN A 6 -16.913 0.591 -13.945 1.00 0.22 C ATOM 84 O ASN A 6 -17.576 0.027 -14.812 1.00 0.26 O ATOM 85 CB ASN A 6 -15.770 2.399 -15.314 1.00 0.28 C ATOM 86 CG ASN A 6 -15.094 3.681 -14.818 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.059 3.640 -14.147 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.670 4.824 -15.158 1.00 1.24 N ATOM 0 H ASN A 6 -14.798 0.143 -15.918 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.119 1.667 -13.423 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.354 2.117 -16.281 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.834 2.582 -15.466 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.258 5.710 -14.864 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.525 4.819 -15.714 1.00 1.24 H new ATOM 95 N ARG A 7 -17.265 0.611 -12.656 1.00 0.23 N ATOM 96 CA ARG A 7 -18.491 -0.038 -12.168 1.00 0.24 C ATOM 97 C ARG A 7 -19.534 0.966 -11.668 1.00 0.25 C ATOM 98 O ARG A 7 -19.218 1.909 -10.928 1.00 0.32 O ATOM 99 CB ARG A 7 -18.136 -1.012 -11.030 1.00 0.28 C ATOM 100 CG ARG A 7 -19.260 -2.019 -10.763 1.00 0.34 C ATOM 101 CD ARG A 7 -19.341 -2.395 -9.278 1.00 0.54 C ATOM 102 NE ARG A 7 -20.441 -3.335 -9.060 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.760 -3.788 -7.850 1.00 1.16 C ATOM 104 NH1 ARG A 7 -21.399 -3.009 -6.992 1.00 1.71 N ATOM 105 NH2 ARG A 7 -20.396 -5.009 -7.492 1.00 1.46 N ATOM 0 H ARG A 7 -16.718 1.070 -11.928 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.931 -0.571 -13.011 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.222 -1.548 -11.284 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.932 -0.447 -10.120 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.212 -1.596 -11.084 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.093 -2.917 -11.358 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.400 -2.842 -8.955 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -19.492 -1.499 -8.675 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.982 -3.654 -9.864 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.649 -2.056 -7.257 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -21.641 -3.361 -6.066 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.874 -5.597 -8.142 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.637 -5.362 -6.566 1.00 1.46 H new ATOM 119 N LYS A 8 -20.784 0.699 -12.054 1.00 0.27 N ATOM 120 CA LYS A 8 -21.955 1.483 -11.661 1.00 0.29 C ATOM 121 C LYS A 8 -23.063 0.502 -11.287 1.00 0.29 C ATOM 122 O LYS A 8 -23.352 -0.430 -12.045 1.00 0.38 O ATOM 123 CB LYS A 8 -22.418 2.387 -12.812 1.00 0.36 C ATOM 124 CG LYS A 8 -23.700 3.171 -12.458 1.00 0.37 C ATOM 125 CD LYS A 8 -24.533 3.509 -13.695 1.00 0.50 C ATOM 126 CE LYS A 8 -25.979 3.841 -13.305 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.739 4.438 -14.441 1.00 1.02 N ATOM 0 H LYS A 8 -21.014 -0.087 -12.662 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.707 2.127 -10.817 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.623 3.089 -13.063 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.599 1.780 -13.699 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.303 2.583 -11.766 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.429 4.092 -11.942 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.089 4.356 -14.217 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.523 2.667 -14.387 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.482 2.934 -12.969 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.978 4.535 -12.464 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.743 4.176 -14.363 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.648 5.474 -14.413 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.357 4.081 -15.340 1.00 1.02 H new ATOM 141 N HIS A 9 -23.682 0.710 -10.127 1.00 0.43 N ATOM 142 CA HIS A 9 -24.766 -0.163 -9.650 1.00 0.52 C ATOM 143 C HIS A 9 -26.127 0.533 -9.795 1.00 0.58 C ATOM 144 O HIS A 9 -26.456 1.456 -9.050 1.00 0.73 O ATOM 145 CB HIS A 9 -24.516 -0.625 -8.190 1.00 0.68 C ATOM 146 CG HIS A 9 -24.308 0.467 -7.173 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.163 0.215 -5.835 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.209 1.814 -7.283 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.984 1.320 -5.158 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.007 2.328 -6.013 1.00 1.75 N ATOM 0 H HIS A 9 -23.454 1.477 -9.494 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.780 -1.057 -10.274 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.364 -1.232 -7.873 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.640 -1.273 -8.181 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.191 -0.716 -5.419 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.276 2.385 -8.198 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.843 1.395 -4.090 1.00 1.69 H new ATOM 158 N GLU A 10 -26.913 0.079 -10.771 1.00 0.60 N ATOM 159 CA GLU A 10 -28.245 0.637 -11.040 1.00 0.73 C ATOM 160 C GLU A 10 -29.302 -0.085 -10.198 1.00 0.83 C ATOM 161 O GLU A 10 -30.183 0.554 -9.619 1.00 1.00 O ATOM 162 CB GLU A 10 -28.577 0.503 -12.536 1.00 0.79 C ATOM 163 CG GLU A 10 -29.753 1.401 -12.950 1.00 1.28 C ATOM 164 CD GLU A 10 -29.270 2.803 -13.295 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.200 3.657 -12.387 1.00 1.52 O ATOM 166 OE2 GLU A 10 -28.947 3.051 -14.472 1.00 1.72 O ATOM 0 H GLU A 10 -26.649 -0.682 -11.397 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.246 1.693 -10.770 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.698 0.762 -13.126 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.818 -0.536 -12.762 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.263 0.966 -13.809 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.480 1.452 -12.140 1.00 1.28 H new ATOM 173 N TRP A 11 -29.214 -1.415 -10.138 1.00 0.82 N ATOM 174 CA TRP A 11 -30.163 -2.230 -9.377 1.00 0.96 C ATOM 175 C TRP A 11 -29.417 -3.222 -8.475 1.00 0.94 C ATOM 176 O TRP A 11 -28.765 -4.147 -8.960 1.00 0.84 O ATOM 177 CB TRP A 11 -31.099 -2.977 -10.344 1.00 1.08 C ATOM 178 CG TRP A 11 -32.351 -3.475 -9.680 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.374 -2.713 -9.198 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.713 -4.847 -9.428 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.317 -3.534 -8.658 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.955 -4.837 -8.784 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.106 -6.076 -9.679 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.592 -6.003 -8.397 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.740 -7.250 -9.296 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.972 -7.213 -8.662 1.00 1.53 C ATOM 0 H TRP A 11 -28.489 -1.954 -10.611 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.761 -1.577 -8.741 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.369 -2.313 -11.165 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.564 -3.821 -10.779 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.428 -1.635 -9.238 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.179 -3.213 -8.218 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.145 -6.115 -10.170 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.550 -5.970 -7.900 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.269 -8.201 -9.494 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.453 -8.136 -8.372 1.00 1.53 H new ATOM 197 N GLU A 12 -29.535 -3.020 -7.163 1.00 1.16 N ATOM 198 CA GLU A 12 -28.898 -3.891 -6.163 1.00 1.26 C ATOM 199 C GLU A 12 -29.575 -3.716 -4.795 1.00 1.56 C ATOM 200 O GLU A 12 -29.007 -4.073 -3.759 1.00 2.03 O ATOM 201 CB GLU A 12 -27.398 -3.574 -6.050 1.00 1.34 C ATOM 202 CG GLU A 12 -27.140 -2.128 -5.593 1.00 1.63 C ATOM 203 CD GLU A 12 -25.978 -2.088 -4.608 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.814 -2.182 -5.042 1.00 2.05 O ATOM 205 OE2 GLU A 12 -26.225 -1.946 -3.394 1.00 2.09 O ATOM 0 H GLU A 12 -30.072 -2.252 -6.760 1.00 1.16 H new ATOM 0 HA GLU A 12 -29.014 -4.926 -6.485 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.935 -4.264 -5.344 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.920 -3.738 -7.016 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.917 -1.500 -6.456 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -28.037 -1.721 -5.126 1.00 1.63 H new ATOM 212 N ALA A 13 -30.790 -3.160 -4.799 1.00 1.77 N ATOM 213 CA ALA A 13 -31.558 -2.918 -3.576 1.00 2.14 C ATOM 214 C ALA A 13 -32.857 -3.727 -3.599 1.00 2.15 C ATOM 215 O ALA A 13 -33.116 -4.491 -4.535 1.00 2.54 O ATOM 216 CB ALA A 13 -31.858 -1.418 -3.455 1.00 2.70 C ATOM 0 H ALA A 13 -31.268 -2.865 -5.650 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.975 -3.236 -2.711 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.430 -1.234 -2.546 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.921 -0.862 -3.414 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -32.436 -1.092 -4.320 1.00 2.70 H new ATOM 222 N HIS A 14 -33.664 -3.559 -2.558 1.00 2.38 N ATOM 223 CA HIS A 14 -34.940 -4.263 -2.425 1.00 2.81 C ATOM 224 C HIS A 14 -35.986 -3.694 -3.394 1.00 2.77 C ATOM 225 O HIS A 14 -36.759 -2.806 -3.033 1.00 3.31 O ATOM 226 CB HIS A 14 -35.442 -4.151 -0.976 1.00 3.51 C ATOM 227 CG HIS A 14 -34.699 -5.043 -0.017 1.00 3.99 C ATOM 228 ND1 HIS A 14 -34.771 -6.411 -0.060 1.00 4.73 N ATOM 229 CD2 HIS A 14 -33.863 -4.772 1.021 1.00 4.33 C ATOM 230 CE1 HIS A 14 -34.038 -6.955 0.880 1.00 5.34 C ATOM 231 NE2 HIS A 14 -33.464 -5.981 1.568 1.00 5.13 N ATOM 0 H HIS A 14 -33.455 -2.932 -1.781 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.786 -5.313 -2.675 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -35.349 -3.117 -0.646 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -36.503 -4.401 -0.946 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -33.564 -3.791 1.358 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -33.922 -8.013 1.062 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -32.836 -6.100 2.363 1.00 5.13 H new ATOM 239 N ASN A 15 -35.999 -4.230 -4.623 1.00 2.64 N ATOM 240 CA ASN A 15 -36.946 -3.826 -5.686 1.00 2.83 C ATOM 241 C ASN A 15 -36.588 -2.467 -6.309 1.00 2.48 C ATOM 242 O ASN A 15 -36.578 -2.327 -7.535 1.00 2.96 O ATOM 243 CB ASN A 15 -38.391 -3.790 -5.140 1.00 3.64 C ATOM 244 CG ASN A 15 -39.415 -3.838 -6.279 1.00 4.19 C ATOM 245 OD1 ASN A 15 -39.580 -4.868 -6.932 1.00 4.25 O ATOM 246 ND2 ASN A 15 -40.110 -2.733 -6.509 1.00 4.99 N ATOM 0 H ASN A 15 -35.351 -4.961 -4.915 1.00 2.64 H new ATOM 0 HA ASN A 15 -36.872 -4.576 -6.474 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -38.550 -4.634 -4.469 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -38.538 -2.883 -4.553 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -40.811 -2.716 -7.250 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -39.944 -1.899 -5.945 1.00 4.99 H new ATOM 253 N LYS A 16 -36.324 -1.473 -5.465 1.00 2.30 N ATOM 254 CA LYS A 16 -35.999 -0.108 -5.911 1.00 2.46 C ATOM 255 C LYS A 16 -34.612 -0.021 -6.565 1.00 2.10 C ATOM 256 O LYS A 16 -33.732 -0.848 -6.318 1.00 2.44 O ATOM 257 CB LYS A 16 -36.064 0.849 -4.716 1.00 3.26 C ATOM 258 CG LYS A 16 -37.456 0.856 -4.079 1.00 3.87 C ATOM 259 CD LYS A 16 -37.492 1.722 -2.814 1.00 4.83 C ATOM 260 CE LYS A 16 -38.135 0.975 -1.639 1.00 5.52 C ATOM 261 NZ LYS A 16 -38.421 1.895 -0.498 1.00 6.03 N ATOM 0 H LYS A 16 -36.328 -1.584 -4.451 1.00 2.30 H new ATOM 0 HA LYS A 16 -36.734 0.174 -6.665 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -35.324 0.555 -3.972 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -35.806 1.857 -5.041 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -38.184 1.231 -4.798 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -37.749 -0.164 -3.831 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -36.478 2.019 -2.546 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.050 2.637 -3.014 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -39.061 0.504 -1.969 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -37.471 0.177 -1.307 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -38.855 1.359 0.280 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -37.534 2.326 -0.168 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.074 2.642 -0.810 1.00 6.03 H new ATOM 275 N LYS A 17 -34.435 1.012 -7.392 1.00 1.88 N ATOM 276 CA LYS A 17 -33.171 1.269 -8.094 1.00 1.62 C ATOM 277 C LYS A 17 -32.319 2.263 -7.301 1.00 1.62 C ATOM 278 O LYS A 17 -32.841 3.076 -6.532 1.00 2.06 O ATOM 279 CB LYS A 17 -33.458 1.845 -9.489 1.00 1.84 C ATOM 280 CG LYS A 17 -34.233 0.860 -10.375 1.00 2.30 C ATOM 281 CD LYS A 17 -33.306 0.159 -11.371 1.00 2.75 C ATOM 282 CE LYS A 17 -34.056 -0.886 -12.206 1.00 3.27 C ATOM 283 NZ LYS A 17 -34.363 -0.387 -13.579 1.00 3.75 N ATOM 0 H LYS A 17 -35.164 1.696 -7.595 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.628 0.329 -8.191 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -34.029 2.768 -9.389 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.517 2.104 -9.974 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -34.727 0.116 -9.750 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -35.015 1.392 -10.916 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.857 0.899 -12.033 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.491 -0.323 -10.832 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -33.456 -1.793 -12.275 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -34.984 -1.155 -11.702 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -34.870 -1.123 -14.111 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -34.957 0.464 -13.514 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.476 -0.154 -14.070 1.00 3.75 H new ATOM 297 N ALA A 18 -31.006 2.209 -7.512 1.00 1.43 N ATOM 298 CA ALA A 18 -30.063 3.112 -6.846 1.00 1.61 C ATOM 299 C ALA A 18 -29.925 4.406 -7.651 1.00 1.86 C ATOM 300 O ALA A 18 -30.129 4.415 -8.873 1.00 2.10 O ATOM 301 CB ALA A 18 -28.699 2.430 -6.700 1.00 1.58 C ATOM 0 H ALA A 18 -30.565 1.543 -8.146 1.00 1.43 H new ATOM 0 HA ALA A 18 -30.441 3.354 -5.853 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -28.004 3.108 -6.204 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.808 1.523 -6.105 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.313 2.173 -7.687 1.00 1.58 H new ATOM 307 N SER A 19 -29.585 5.495 -6.965 1.00 2.24 N ATOM 308 CA SER A 19 -29.419 6.809 -7.596 1.00 2.71 C ATOM 309 C SER A 19 -28.550 7.713 -6.715 1.00 2.85 C ATOM 310 O SER A 19 -29.066 8.485 -5.903 1.00 3.33 O ATOM 311 CB SER A 19 -30.788 7.467 -7.831 1.00 3.28 C ATOM 312 OG SER A 19 -31.624 6.633 -8.626 1.00 3.62 O ATOM 0 H SER A 19 -29.417 5.495 -5.959 1.00 2.24 H new ATOM 0 HA SER A 19 -28.926 6.671 -8.558 1.00 2.71 H new ATOM 0 HB2 SER A 19 -31.270 7.664 -6.873 1.00 3.28 H new ATOM 0 HB3 SER A 19 -30.653 8.429 -8.325 1.00 3.28 H new ATOM 0 HG SER A 19 -31.077 5.955 -9.075 1.00 3.62 H new ATOM 318 N SER A 20 -27.235 7.610 -6.888 1.00 2.92 N ATOM 319 CA SER A 20 -26.269 8.410 -6.130 1.00 3.46 C ATOM 320 C SER A 20 -25.279 9.048 -7.107 1.00 3.36 C ATOM 321 O SER A 20 -25.239 10.270 -7.262 1.00 3.74 O ATOM 322 CB SER A 20 -25.544 7.511 -5.113 1.00 4.13 C ATOM 323 OG SER A 20 -24.797 8.286 -4.182 1.00 4.31 O ATOM 0 H SER A 20 -26.806 6.970 -7.557 1.00 2.92 H new ATOM 0 HA SER A 20 -26.778 9.202 -5.581 1.00 3.46 H new ATOM 0 HB2 SER A 20 -26.272 6.900 -4.580 1.00 4.13 H new ATOM 0 HB3 SER A 20 -24.877 6.827 -5.638 1.00 4.13 H new ATOM 0 HG SER A 20 -24.348 7.690 -3.546 1.00 4.31 H new ATOM 329 N ARG A 21 -24.514 8.195 -7.780 1.00 3.28 N ATOM 330 CA ARG A 21 -23.517 8.581 -8.787 1.00 3.37 C ATOM 331 C ARG A 21 -22.877 7.291 -9.281 1.00 2.30 C ATOM 332 O ARG A 21 -23.091 6.874 -10.419 1.00 2.78 O ATOM 333 CB ARG A 21 -22.444 9.536 -8.206 1.00 4.44 C ATOM 334 CG ARG A 21 -21.841 10.437 -9.292 1.00 5.18 C ATOM 335 CD ARG A 21 -22.582 11.777 -9.392 1.00 5.89 C ATOM 336 NE ARG A 21 -24.029 11.576 -9.295 1.00 6.25 N ATOM 337 CZ ARG A 21 -24.856 11.763 -10.320 1.00 6.92 C ATOM 338 NH1 ARG A 21 -24.530 11.321 -11.530 1.00 7.30 N ATOM 339 NH2 ARG A 21 -26.005 12.395 -10.132 1.00 7.43 N ATOM 0 H ARG A 21 -24.568 7.186 -7.640 1.00 3.28 H new ATOM 0 HA ARG A 21 -23.996 9.126 -9.600 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -22.890 10.154 -7.426 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -21.653 8.952 -7.736 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.789 10.618 -9.072 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -21.882 9.926 -10.254 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -22.248 12.443 -8.597 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -22.340 12.263 -10.337 1.00 5.89 H new ATOM 0 HE ARG A 21 -24.421 11.279 -8.401 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -23.644 10.837 -11.675 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -25.166 11.466 -12.314 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -26.253 12.737 -9.203 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -26.641 12.540 -10.916 1.00 7.43 H new ATOM 353 N SER A 22 -22.151 6.647 -8.363 1.00 1.32 N ATOM 354 CA SER A 22 -21.483 5.350 -8.558 1.00 0.74 C ATOM 355 C SER A 22 -20.886 5.128 -9.959 1.00 0.68 C ATOM 356 O SER A 22 -21.540 4.621 -10.861 1.00 1.69 O ATOM 357 CB SER A 22 -22.461 4.221 -8.228 1.00 1.62 C ATOM 358 OG SER A 22 -23.519 4.674 -7.378 1.00 1.86 O ATOM 0 H SER A 22 -22.005 7.026 -7.427 1.00 1.32 H new ATOM 0 HA SER A 22 -20.631 5.351 -7.879 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.881 3.821 -9.151 1.00 1.62 H new ATOM 0 HB3 SER A 22 -21.926 3.406 -7.741 1.00 1.62 H new ATOM 0 HG SER A 22 -23.552 4.117 -6.572 1.00 1.86 H new ATOM 364 N TRP A 23 -19.623 5.449 -10.088 1.00 0.69 N ATOM 365 CA TRP A 23 -18.864 5.246 -11.324 1.00 0.41 C ATOM 366 C TRP A 23 -17.395 5.221 -10.919 1.00 0.40 C ATOM 367 O TRP A 23 -16.640 6.166 -11.170 1.00 0.55 O ATOM 368 CB TRP A 23 -19.155 6.350 -12.370 1.00 0.43 C ATOM 369 CG TRP A 23 -20.147 5.933 -13.431 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.293 6.595 -13.780 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.080 4.765 -14.289 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.917 5.905 -14.782 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.212 4.790 -15.115 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.178 3.703 -14.435 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.462 3.803 -16.059 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.422 2.713 -15.381 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.552 2.763 -16.185 1.00 0.31 C ATOM 0 H TRP A 23 -19.074 5.865 -9.335 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.152 4.313 -11.809 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.535 7.234 -11.857 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.220 6.638 -12.852 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.647 7.514 -13.336 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.793 6.188 -15.221 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.295 3.653 -13.815 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.344 3.844 -16.681 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.724 1.896 -15.491 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.725 1.986 -16.915 1.00 0.31 H new ATOM 388 N HIS A 24 -17.020 4.139 -10.237 1.00 0.37 N ATOM 389 CA HIS A 24 -15.654 3.959 -9.717 1.00 0.45 C ATOM 390 C HIS A 24 -14.887 2.913 -10.527 1.00 0.36 C ATOM 391 O HIS A 24 -15.463 1.932 -11.005 1.00 0.34 O ATOM 392 CB HIS A 24 -15.696 3.557 -8.223 1.00 0.61 C ATOM 393 CG HIS A 24 -16.775 2.564 -7.876 1.00 1.18 C ATOM 394 ND1 HIS A 24 -17.956 2.908 -7.264 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.855 1.222 -8.053 1.00 1.66 C ATOM 396 CE1 HIS A 24 -18.715 1.856 -7.076 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.072 0.801 -7.547 1.00 2.74 N ATOM 0 H HIS A 24 -17.647 3.363 -10.027 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.130 4.910 -9.812 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -14.729 3.137 -7.945 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -15.838 4.455 -7.622 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -18.209 3.858 -6.992 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.103 0.594 -8.508 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -19.693 1.852 -6.617 1.00 2.98 H new ATOM 405 N ASN A 25 -13.579 3.133 -10.659 1.00 0.37 N ATOM 406 CA ASN A 25 -12.683 2.229 -11.391 1.00 0.35 C ATOM 407 C ASN A 25 -12.185 1.134 -10.442 1.00 0.34 C ATOM 408 O ASN A 25 -11.151 1.280 -9.783 1.00 0.55 O ATOM 409 CB ASN A 25 -11.505 3.035 -11.979 1.00 0.44 C ATOM 410 CG ASN A 25 -10.842 2.281 -13.132 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.760 1.713 -12.977 1.00 1.71 O ATOM 412 ND2 ASN A 25 -11.484 2.281 -14.292 1.00 1.49 N ATOM 0 H ASN A 25 -13.107 3.945 -10.261 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.217 1.756 -12.215 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.863 4.003 -12.331 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.770 3.232 -11.199 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -11.083 1.799 -15.097 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -12.378 2.763 -14.380 1.00 1.49 H new ATOM 419 N VAL A 26 -12.951 0.050 -10.368 1.00 0.22 N ATOM 420 CA VAL A 26 -12.639 -1.086 -9.498 1.00 0.21 C ATOM 421 C VAL A 26 -11.856 -2.156 -10.264 1.00 0.18 C ATOM 422 O VAL A 26 -11.782 -2.132 -11.494 1.00 0.23 O ATOM 423 CB VAL A 26 -13.954 -1.658 -8.928 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.697 -2.515 -9.961 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.705 -2.458 -7.650 1.00 0.31 C ATOM 0 H VAL A 26 -13.807 -0.069 -10.909 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.009 -0.752 -8.674 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.589 -0.807 -8.681 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.617 -2.899 -9.521 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.938 -1.907 -10.833 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.064 -3.349 -10.264 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.651 -2.847 -7.274 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.031 -3.288 -7.865 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.254 -1.811 -6.898 1.00 0.31 H new ATOM 435 N TYR A 27 -11.279 -3.101 -9.526 1.00 0.16 N ATOM 436 CA TYR A 27 -10.501 -4.198 -10.103 1.00 0.16 C ATOM 437 C TYR A 27 -11.308 -5.494 -9.991 1.00 0.19 C ATOM 438 O TYR A 27 -11.660 -5.917 -8.889 1.00 0.34 O ATOM 439 CB TYR A 27 -9.165 -4.314 -9.359 1.00 0.17 C ATOM 440 CG TYR A 27 -8.106 -5.083 -10.116 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.258 -4.423 -10.988 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.991 -6.452 -9.949 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.299 -5.131 -11.690 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.033 -7.159 -10.650 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.149 -6.480 -11.481 1.00 0.29 C ATOM 446 OH TYR A 27 -5.236 -7.205 -12.217 1.00 0.37 O ATOM 0 H TYR A 27 -11.337 -3.129 -8.508 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.294 -4.007 -11.156 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.791 -3.313 -9.147 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.336 -4.800 -8.399 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.345 -3.355 -11.121 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.652 -6.969 -9.269 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.668 -4.622 -12.403 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.971 -8.233 -10.553 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.086 -8.073 -11.788 1.00 0.37 H new ATOM 456 N CYS A 28 -11.612 -6.112 -11.131 1.00 0.16 N ATOM 457 CA CYS A 28 -12.397 -7.354 -11.166 1.00 0.19 C ATOM 458 C CYS A 28 -11.492 -8.563 -11.432 1.00 0.19 C ATOM 459 O CYS A 28 -10.542 -8.477 -12.212 1.00 0.23 O ATOM 460 CB CYS A 28 -13.470 -7.257 -12.252 1.00 0.23 C ATOM 461 SG CYS A 28 -14.575 -5.855 -12.004 1.00 0.34 S ATOM 0 H CYS A 28 -11.327 -5.774 -12.050 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.874 -7.490 -10.196 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.990 -7.169 -13.227 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.053 -8.178 -12.266 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.459 -5.826 -12.956 1.00 0.34 H new ATOM 467 N VAL A 29 -11.800 -9.684 -10.771 1.00 0.21 N ATOM 468 CA VAL A 29 -11.037 -10.935 -10.912 1.00 0.24 C ATOM 469 C VAL A 29 -12.000 -12.120 -11.016 1.00 0.26 C ATOM 470 O VAL A 29 -12.784 -12.366 -10.101 1.00 0.38 O ATOM 471 CB VAL A 29 -10.110 -11.129 -9.695 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.323 -12.440 -9.800 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.142 -9.953 -9.553 1.00 0.33 C ATOM 0 H VAL A 29 -12.584 -9.753 -10.123 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.432 -10.879 -11.817 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.742 -11.174 -8.808 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.679 -12.548 -8.928 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.018 -13.279 -9.844 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.712 -12.426 -10.703 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.499 -10.113 -8.688 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.529 -9.876 -10.451 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.707 -9.031 -9.419 1.00 0.33 H new ATOM 483 N ILE A 30 -11.930 -12.857 -12.124 1.00 0.28 N ATOM 484 CA ILE A 30 -12.784 -14.030 -12.344 1.00 0.32 C ATOM 485 C ILE A 30 -12.071 -15.280 -11.819 1.00 0.35 C ATOM 486 O ILE A 30 -11.011 -15.651 -12.327 1.00 0.44 O ATOM 487 CB ILE A 30 -13.101 -14.182 -13.841 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.703 -12.886 -14.400 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.053 -15.358 -14.085 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.060 -13.021 -15.882 1.00 0.57 C ATOM 0 H ILE A 30 -11.286 -12.662 -12.891 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.724 -13.901 -11.807 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.166 -14.386 -14.362 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.597 -12.625 -13.833 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.993 -12.069 -14.270 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.261 -15.443 -15.152 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.591 -16.280 -13.731 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.985 -15.189 -13.546 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.483 -12.083 -16.241 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.162 -13.256 -16.453 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.790 -13.821 -16.009 1.00 0.57 H new ATOM 502 N ASN A 31 -12.639 -15.911 -10.792 1.00 0.46 N ATOM 503 CA ASN A 31 -12.043 -17.107 -10.184 1.00 0.58 C ATOM 504 C ASN A 31 -13.137 -18.099 -9.771 1.00 0.71 C ATOM 505 O ASN A 31 -13.963 -17.803 -8.904 1.00 1.20 O ATOM 506 CB ASN A 31 -11.201 -16.691 -8.959 1.00 0.73 C ATOM 507 CG ASN A 31 -10.230 -17.795 -8.528 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.206 -18.887 -9.094 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.423 -17.501 -7.519 1.00 1.47 N ATOM 0 H ASN A 31 -13.514 -15.615 -10.360 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.398 -17.598 -10.913 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.640 -15.787 -9.195 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.864 -16.447 -8.129 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.751 -18.192 -7.185 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.474 -16.584 -7.076 1.00 1.47 H new ATOM 516 N ASN A 32 -13.124 -19.281 -10.397 1.00 0.85 N ATOM 517 CA ASN A 32 -14.085 -20.364 -10.121 1.00 1.00 C ATOM 518 C ASN A 32 -15.544 -19.907 -10.308 1.00 1.00 C ATOM 519 O ASN A 32 -16.393 -20.138 -9.441 1.00 1.97 O ATOM 520 CB ASN A 32 -13.863 -20.914 -8.695 1.00 1.24 C ATOM 521 CG ASN A 32 -14.432 -22.330 -8.559 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.221 -23.183 -9.420 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.161 -22.582 -7.481 1.00 2.52 N ATOM 0 H ASN A 32 -12.441 -19.519 -11.117 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.907 -21.159 -10.845 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.797 -20.923 -8.466 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.339 -20.255 -7.969 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.568 -23.508 -7.345 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.315 -21.850 -6.787 1.00 2.52 H new ATOM 530 N GLN A 33 -15.825 -19.254 -11.443 1.00 0.75 N ATOM 531 CA GLN A 33 -17.176 -18.750 -11.774 1.00 0.67 C ATOM 532 C GLN A 33 -17.653 -17.691 -10.766 1.00 0.56 C ATOM 533 O GLN A 33 -18.868 -17.424 -10.660 1.00 0.71 O ATOM 534 CB GLN A 33 -18.190 -19.904 -11.839 1.00 0.83 C ATOM 535 CG GLN A 33 -17.714 -21.028 -12.763 1.00 1.46 C ATOM 536 CD GLN A 33 -18.812 -22.076 -12.923 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.259 -22.673 -11.943 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.252 -22.300 -14.150 1.00 2.67 N ATOM 0 H GLN A 33 -15.127 -19.057 -12.161 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.110 -18.278 -12.754 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.353 -20.302 -10.837 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.149 -19.525 -12.192 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.446 -20.619 -13.737 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -16.816 -21.490 -12.353 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.856 -21.785 -14.936 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.988 -22.988 -14.310 1.00 2.67 H new ATOM 547 N GLU A 34 -16.693 -17.099 -10.030 1.00 0.53 N ATOM 548 CA GLU A 34 -16.981 -16.078 -9.029 1.00 0.49 C ATOM 549 C GLU A 34 -16.135 -14.844 -9.332 1.00 0.45 C ATOM 550 O GLU A 34 -14.910 -14.943 -9.442 1.00 0.64 O ATOM 551 CB GLU A 34 -16.662 -16.622 -7.621 1.00 0.61 C ATOM 552 CG GLU A 34 -17.844 -16.455 -6.652 1.00 1.25 C ATOM 553 CD GLU A 34 -18.390 -17.812 -6.224 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.592 -18.713 -5.896 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.625 -17.982 -6.218 1.00 1.79 O ATOM 0 H GLU A 34 -15.701 -17.321 -10.119 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.037 -15.809 -9.060 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.399 -17.677 -7.692 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.791 -16.103 -7.222 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.524 -15.894 -5.774 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.633 -15.875 -7.131 1.00 1.25 H new ATOM 562 N MET A 35 -16.777 -13.686 -9.454 1.00 0.36 N ATOM 563 CA MET A 35 -16.063 -12.444 -9.727 1.00 0.35 C ATOM 564 C MET A 35 -15.758 -11.749 -8.401 1.00 0.32 C ATOM 565 O MET A 35 -16.640 -11.588 -7.554 1.00 0.42 O ATOM 566 CB MET A 35 -16.878 -11.540 -10.667 1.00 0.41 C ATOM 567 CG MET A 35 -18.085 -10.907 -9.980 1.00 0.43 C ATOM 568 SD MET A 35 -19.104 -9.935 -11.108 1.00 0.60 S ATOM 569 CE MET A 35 -17.921 -8.725 -11.733 1.00 1.25 C ATOM 0 H MET A 35 -17.788 -13.582 -9.368 1.00 0.36 H new ATOM 0 HA MET A 35 -15.124 -12.663 -10.235 1.00 0.35 H new ATOM 0 HB2 MET A 35 -16.233 -10.752 -11.056 1.00 0.41 H new ATOM 0 HB3 MET A 35 -17.218 -12.125 -11.522 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.695 -11.692 -9.532 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.740 -10.268 -9.167 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.413 -7.759 -11.843 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.091 -8.632 -11.032 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.543 -9.052 -12.701 1.00 1.25 H new ATOM 579 N GLY A 36 -14.502 -11.370 -8.219 1.00 0.27 N ATOM 580 CA GLY A 36 -14.048 -10.714 -6.995 1.00 0.29 C ATOM 581 C GLY A 36 -13.789 -9.235 -7.242 1.00 0.25 C ATOM 582 O GLY A 36 -13.070 -8.871 -8.177 1.00 0.28 O ATOM 0 H GLY A 36 -13.767 -11.507 -8.913 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.799 -10.831 -6.214 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.137 -11.193 -6.636 1.00 0.29 H new ATOM 586 N PHE A 37 -14.380 -8.385 -6.401 1.00 0.24 N ATOM 587 CA PHE A 37 -14.223 -6.931 -6.509 1.00 0.25 C ATOM 588 C PHE A 37 -13.092 -6.460 -5.597 1.00 0.25 C ATOM 589 O PHE A 37 -13.263 -6.356 -4.379 1.00 0.40 O ATOM 590 CB PHE A 37 -15.538 -6.236 -6.136 1.00 0.30 C ATOM 591 CG PHE A 37 -16.610 -6.416 -7.194 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.649 -5.578 -8.300 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.561 -7.416 -7.055 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.633 -5.740 -9.261 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.544 -7.579 -8.019 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.563 -6.750 -9.138 1.00 0.33 C ATOM 0 H PHE A 37 -14.978 -8.681 -5.630 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.971 -6.672 -7.537 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.898 -6.633 -5.187 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.354 -5.172 -5.987 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.910 -4.798 -8.411 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.536 -8.068 -6.195 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.672 -5.073 -10.109 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.294 -8.348 -7.902 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.305 -6.898 -9.908 1.00 0.33 H new ATOM 606 N TYR A 38 -11.942 -6.183 -6.200 1.00 0.20 N ATOM 607 CA TYR A 38 -10.751 -5.723 -5.480 1.00 0.21 C ATOM 608 C TYR A 38 -10.464 -4.254 -5.801 1.00 0.21 C ATOM 609 O TYR A 38 -11.079 -3.665 -6.692 1.00 0.23 O ATOM 610 CB TYR A 38 -9.546 -6.590 -5.868 1.00 0.23 C ATOM 611 CG TYR A 38 -9.652 -8.004 -5.355 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.222 -8.306 -4.077 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.170 -9.002 -6.162 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.311 -9.602 -3.602 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.261 -10.298 -5.687 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.829 -10.593 -4.409 1.00 0.44 C ATOM 617 OH TYR A 38 -9.911 -11.881 -3.940 1.00 0.55 O ATOM 0 H TYR A 38 -11.804 -6.270 -7.207 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.931 -5.814 -4.409 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.453 -6.609 -6.954 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.636 -6.134 -5.478 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.815 -7.528 -3.448 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.503 -8.769 -7.163 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -8.976 -9.837 -2.603 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.669 -11.077 -6.314 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.300 -12.457 -4.631 1.00 0.55 H new ATOM 627 N LYS A 39 -9.519 -3.665 -5.069 1.00 0.25 N ATOM 628 CA LYS A 39 -9.140 -2.263 -5.267 1.00 0.29 C ATOM 629 C LYS A 39 -8.195 -2.122 -6.469 1.00 0.28 C ATOM 630 O LYS A 39 -8.325 -1.194 -7.267 1.00 0.33 O ATOM 631 CB LYS A 39 -8.477 -1.735 -3.992 1.00 0.36 C ATOM 632 CG LYS A 39 -8.528 -0.209 -3.917 1.00 0.70 C ATOM 633 CD LYS A 39 -8.453 0.286 -2.471 1.00 1.15 C ATOM 634 CE LYS A 39 -8.569 1.810 -2.401 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.478 2.416 -1.580 1.00 2.51 N ATOM 0 H LYS A 39 -8.999 -4.138 -4.330 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.034 -1.675 -5.476 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.976 -2.159 -3.120 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.439 -2.066 -3.958 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.702 0.212 -4.490 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.449 0.148 -4.377 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.252 -0.169 -1.886 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.511 -0.031 -2.024 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.536 2.223 -3.409 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -9.536 2.081 -1.977 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.593 3.449 -1.558 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.524 2.042 -0.611 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.556 2.179 -1.999 1.00 2.51 H new ATOM 649 N ASP A 40 -7.252 -3.055 -6.586 1.00 0.28 N ATOM 650 CA ASP A 40 -6.276 -3.068 -7.688 1.00 0.32 C ATOM 651 C ASP A 40 -5.644 -4.460 -7.820 1.00 0.33 C ATOM 652 O ASP A 40 -6.083 -5.421 -7.175 1.00 0.32 O ATOM 653 CB ASP A 40 -5.186 -1.987 -7.494 1.00 0.38 C ATOM 654 CG ASP A 40 -4.545 -2.052 -6.106 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.099 -3.147 -5.704 1.00 0.94 O ATOM 656 OD2 ASP A 40 -4.489 -1.013 -5.418 1.00 0.84 O ATOM 0 H ASP A 40 -7.138 -3.823 -5.925 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.807 -2.834 -8.611 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.415 -2.111 -8.254 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.625 -1.001 -7.643 1.00 0.38 H new ATOM 661 N ALA A 41 -4.614 -4.558 -8.664 1.00 0.40 N ATOM 662 CA ALA A 41 -3.905 -5.826 -8.909 1.00 0.45 C ATOM 663 C ALA A 41 -3.189 -6.332 -7.652 1.00 0.45 C ATOM 664 O ALA A 41 -3.070 -7.541 -7.444 1.00 0.47 O ATOM 665 CB ALA A 41 -2.892 -5.650 -10.044 1.00 0.55 C ATOM 0 H ALA A 41 -4.246 -3.769 -9.196 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.651 -6.569 -9.192 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.373 -6.593 -10.218 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.413 -5.350 -10.953 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.168 -4.882 -9.770 1.00 0.55 H new ATOM 671 N LYS A 42 -2.726 -5.408 -6.811 1.00 0.46 N ATOM 672 CA LYS A 42 -2.035 -5.760 -5.567 1.00 0.48 C ATOM 673 C LYS A 42 -3.037 -6.330 -4.560 1.00 0.43 C ATOM 674 O LYS A 42 -2.769 -7.337 -3.902 1.00 0.47 O ATOM 675 CB LYS A 42 -1.324 -4.525 -4.998 1.00 0.54 C ATOM 676 CG LYS A 42 -0.584 -3.754 -6.099 1.00 0.77 C ATOM 677 CD LYS A 42 0.779 -3.251 -5.617 1.00 1.12 C ATOM 678 CE LYS A 42 1.501 -2.439 -6.699 1.00 1.96 C ATOM 679 NZ LYS A 42 1.382 -3.078 -8.041 1.00 2.76 N ATOM 0 H LYS A 42 -2.817 -4.404 -6.968 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.284 -6.523 -5.771 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.053 -3.871 -4.519 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.617 -4.832 -4.227 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.448 -4.399 -6.967 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -1.191 -2.908 -6.422 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.645 -2.634 -4.728 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.398 -4.100 -5.326 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.084 -1.433 -6.737 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.554 -2.338 -6.436 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.066 -2.644 -8.694 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.579 -4.096 -7.959 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.418 -2.940 -8.407 1.00 2.76 H new ATOM 693 N SER A 43 -4.213 -5.699 -4.470 1.00 0.38 N ATOM 694 CA SER A 43 -5.284 -6.153 -3.571 1.00 0.38 C ATOM 695 C SER A 43 -5.773 -7.552 -3.975 1.00 0.39 C ATOM 696 O SER A 43 -6.089 -8.378 -3.120 1.00 0.45 O ATOM 697 CB SER A 43 -6.452 -5.165 -3.608 1.00 0.37 C ATOM 698 OG SER A 43 -6.028 -3.875 -3.196 1.00 1.04 O ATOM 0 H SER A 43 -4.450 -4.868 -5.011 1.00 0.38 H new ATOM 0 HA SER A 43 -4.886 -6.202 -2.558 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.861 -5.114 -4.617 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.253 -5.516 -2.957 1.00 0.37 H new ATOM 0 HG SER A 43 -5.417 -3.502 -3.865 1.00 1.04 H new ATOM 704 N ALA A 44 -5.818 -7.802 -5.288 1.00 0.37 N ATOM 705 CA ALA A 44 -6.256 -9.092 -5.839 1.00 0.43 C ATOM 706 C ALA A 44 -5.266 -10.217 -5.498 1.00 0.51 C ATOM 707 O ALA A 44 -5.680 -11.324 -5.151 1.00 0.59 O ATOM 708 CB ALA A 44 -6.410 -8.976 -7.358 1.00 0.43 C ATOM 0 H ALA A 44 -5.553 -7.119 -5.998 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.216 -9.345 -5.388 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.735 -9.934 -7.765 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.152 -8.212 -7.591 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.453 -8.700 -7.801 1.00 0.43 H new ATOM 714 N ALA A 45 -3.965 -9.928 -5.611 1.00 0.54 N ATOM 715 CA ALA A 45 -2.907 -10.911 -5.328 1.00 0.64 C ATOM 716 C ALA A 45 -2.808 -11.201 -3.827 1.00 0.68 C ATOM 717 O ALA A 45 -2.969 -12.344 -3.397 1.00 0.76 O ATOM 718 CB ALA A 45 -1.562 -10.394 -5.854 1.00 0.69 C ATOM 0 H ALA A 45 -3.615 -9.014 -5.899 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.161 -11.842 -5.835 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.783 -11.126 -5.642 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.628 -10.237 -6.931 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.318 -9.451 -5.364 1.00 0.69 H new ATOM 724 N SER A 46 -2.532 -10.158 -3.039 1.00 0.65 N ATOM 725 CA SER A 46 -2.388 -10.249 -1.601 1.00 0.73 C ATOM 726 C SER A 46 -3.659 -10.776 -0.912 1.00 0.74 C ATOM 727 O SER A 46 -3.577 -11.476 0.097 1.00 0.84 O ATOM 728 CB SER A 46 -2.046 -8.851 -1.091 1.00 0.75 C ATOM 729 OG SER A 46 -1.190 -8.159 -2.000 1.00 1.21 O ATOM 0 H SER A 46 -2.402 -9.213 -3.399 1.00 0.65 H new ATOM 0 HA SER A 46 -1.600 -10.964 -1.364 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.963 -8.280 -0.947 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.561 -8.926 -0.118 1.00 0.75 H new ATOM 0 HG SER A 46 -1.718 -7.525 -2.529 1.00 1.21 H new ATOM 735 N GLY A 47 -4.827 -10.437 -1.458 1.00 0.70 N ATOM 736 CA GLY A 47 -6.109 -10.877 -0.895 1.00 0.74 C ATOM 737 C GLY A 47 -6.663 -9.843 0.085 1.00 0.75 C ATOM 738 O GLY A 47 -7.120 -10.189 1.175 1.00 0.88 O ATOM 0 H GLY A 47 -4.914 -9.857 -2.293 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.826 -11.041 -1.699 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.978 -11.832 -0.386 1.00 0.74 H new ATOM 742 N ILE A 48 -6.628 -8.576 -0.321 1.00 0.67 N ATOM 743 CA ILE A 48 -7.131 -7.465 0.494 1.00 0.72 C ATOM 744 C ILE A 48 -8.490 -7.029 -0.060 1.00 0.75 C ATOM 745 O ILE A 48 -8.600 -6.692 -1.240 1.00 0.75 O ATOM 746 CB ILE A 48 -6.122 -6.302 0.472 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.784 -6.754 1.084 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.667 -5.084 1.225 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.636 -5.821 0.697 1.00 0.97 C ATOM 0 H ILE A 48 -6.251 -8.287 -1.224 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.254 -7.779 1.530 1.00 0.72 H new ATOM 0 HB ILE A 48 -5.959 -6.010 -0.566 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.874 -6.788 2.170 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.556 -7.767 0.752 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -5.934 -4.278 1.193 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.593 -4.751 0.756 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.863 -5.355 2.262 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.710 -6.176 1.150 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.528 -5.808 -0.388 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -3.851 -4.813 1.053 1.00 0.97 H new ATOM 761 N PRO A 49 -9.552 -7.052 0.772 1.00 0.84 N ATOM 762 CA PRO A 49 -10.914 -6.680 0.332 1.00 0.93 C ATOM 763 C PRO A 49 -11.085 -5.181 0.050 1.00 0.93 C ATOM 764 O PRO A 49 -10.486 -4.333 0.714 1.00 1.08 O ATOM 765 CB PRO A 49 -11.809 -7.128 1.487 1.00 1.07 C ATOM 766 CG PRO A 49 -10.925 -7.146 2.691 1.00 1.06 C ATOM 767 CD PRO A 49 -9.530 -7.457 2.196 1.00 0.92 C ATOM 0 HA PRO A 49 -11.159 -7.153 -0.619 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.646 -6.443 1.624 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.233 -8.114 1.296 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.949 -6.185 3.204 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.259 -7.898 3.406 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.776 -6.904 2.756 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.295 -8.516 2.305 1.00 0.92 H new ATOM 775 N TYR A 50 -11.925 -4.877 -0.939 1.00 0.87 N ATOM 776 CA TYR A 50 -12.230 -3.496 -1.343 1.00 0.91 C ATOM 777 C TYR A 50 -13.470 -2.992 -0.583 1.00 1.12 C ATOM 778 O TYR A 50 -13.551 -1.824 -0.202 1.00 1.91 O ATOM 779 CB TYR A 50 -12.469 -3.478 -2.861 1.00 0.92 C ATOM 780 CG TYR A 50 -12.813 -2.120 -3.435 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.840 -1.135 -3.498 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.097 -1.850 -3.885 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.146 0.112 -4.016 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.399 -0.599 -4.404 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.461 0.352 -4.501 1.00 1.17 C ATOM 786 OH TYR A 50 -13.721 1.619 -4.982 1.00 1.34 O ATOM 0 H TYR A 50 -12.418 -5.582 -1.488 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.398 -2.834 -1.101 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.574 -3.851 -3.360 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.277 -4.171 -3.095 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.841 -1.341 -3.142 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.860 -2.612 -3.832 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.398 0.890 -4.051 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.405 -0.389 -4.735 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.651 1.668 -5.288 1.00 1.34 H new ATOM 796 N HIS A 51 -14.416 -3.903 -0.353 1.00 1.28 N ATOM 797 CA HIS A 51 -15.660 -3.619 0.374 1.00 1.53 C ATOM 798 C HIS A 51 -16.114 -4.904 1.088 1.00 1.61 C ATOM 799 O HIS A 51 -15.407 -5.915 1.053 1.00 2.07 O ATOM 800 CB HIS A 51 -16.746 -3.106 -0.601 1.00 2.01 C ATOM 801 CG HIS A 51 -16.923 -1.616 -0.559 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.710 -0.985 0.364 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.411 -0.619 -1.323 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.692 0.314 0.191 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.904 0.580 -0.840 1.00 3.74 N ATOM 0 H HIS A 51 -14.342 -4.870 -0.668 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.492 -2.838 1.115 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.485 -3.406 -1.616 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.695 -3.585 -0.362 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.738 -0.740 -2.159 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.226 1.041 0.785 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.697 1.507 -1.213 1.00 3.74 H new ATOM 813 N SER A 52 -17.280 -4.864 1.738 1.00 1.60 N ATOM 814 CA SER A 52 -17.816 -6.028 2.468 1.00 1.96 C ATOM 815 C SER A 52 -18.080 -7.209 1.521 1.00 1.85 C ATOM 816 O SER A 52 -17.549 -8.306 1.719 1.00 2.45 O ATOM 817 CB SER A 52 -19.107 -5.635 3.195 1.00 2.44 C ATOM 818 OG SER A 52 -18.905 -4.470 3.987 1.00 2.65 O ATOM 0 H SER A 52 -17.877 -4.038 1.777 1.00 1.60 H new ATOM 0 HA SER A 52 -17.071 -6.345 3.198 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.899 -5.453 2.468 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.438 -6.458 3.828 1.00 2.44 H new ATOM 0 HG SER A 52 -19.741 -4.234 4.441 1.00 2.65 H new ATOM 824 N GLU A 53 -18.890 -6.973 0.487 1.00 1.45 N ATOM 825 CA GLU A 53 -19.217 -8.001 -0.504 1.00 1.37 C ATOM 826 C GLU A 53 -18.118 -8.034 -1.566 1.00 1.08 C ATOM 827 O GLU A 53 -18.105 -7.211 -2.482 1.00 1.24 O ATOM 828 CB GLU A 53 -20.579 -7.703 -1.152 1.00 1.73 C ATOM 829 CG GLU A 53 -21.741 -8.118 -0.246 1.00 2.39 C ATOM 830 CD GLU A 53 -21.906 -7.136 0.907 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.389 -6.011 0.671 1.00 3.23 O ATOM 832 OE2 GLU A 53 -21.549 -7.487 2.049 1.00 3.46 O ATOM 0 H GLU A 53 -19.335 -6.072 0.313 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.280 -8.973 -0.015 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.652 -6.638 -1.372 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.653 -8.231 -2.103 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.663 -8.162 -0.826 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.563 -9.119 0.146 1.00 2.39 H new ATOM 839 N VAL A 54 -17.182 -8.969 -1.419 1.00 0.84 N ATOM 840 CA VAL A 54 -16.051 -9.096 -2.346 1.00 0.66 C ATOM 841 C VAL A 54 -16.341 -10.126 -3.449 1.00 0.55 C ATOM 842 O VAL A 54 -16.222 -9.806 -4.632 1.00 0.49 O ATOM 843 CB VAL A 54 -14.748 -9.461 -1.587 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.584 -8.615 -2.107 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.898 -9.281 -0.069 1.00 1.34 C ATOM 0 H VAL A 54 -17.182 -9.655 -0.664 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.910 -8.126 -2.823 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.542 -10.515 -1.772 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.674 -8.878 -1.568 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.443 -8.804 -3.171 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.804 -7.559 -1.952 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.963 -9.548 0.423 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.141 -8.242 0.152 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.697 -9.926 0.297 1.00 1.34 H new ATOM 855 N PRO A 55 -16.714 -11.377 -3.088 1.00 0.62 N ATOM 856 CA PRO A 55 -16.997 -12.439 -4.065 1.00 0.59 C ATOM 857 C PRO A 55 -18.471 -12.475 -4.491 1.00 0.58 C ATOM 858 O PRO A 55 -19.366 -12.578 -3.648 1.00 0.83 O ATOM 859 CB PRO A 55 -16.617 -13.713 -3.310 1.00 0.76 C ATOM 860 CG PRO A 55 -16.758 -13.384 -1.850 1.00 0.87 C ATOM 861 CD PRO A 55 -16.887 -11.881 -1.716 1.00 0.83 C ATOM 0 HA PRO A 55 -16.448 -12.297 -4.996 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.269 -14.541 -3.588 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.597 -14.017 -3.545 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.634 -13.880 -1.431 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.892 -13.743 -1.294 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.858 -11.600 -1.309 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.130 -11.475 -1.045 1.00 0.83 H new ATOM 869 N VAL A 56 -18.707 -12.396 -5.799 1.00 0.41 N ATOM 870 CA VAL A 56 -20.062 -12.429 -6.363 1.00 0.43 C ATOM 871 C VAL A 56 -20.158 -13.562 -7.395 1.00 0.42 C ATOM 872 O VAL A 56 -19.278 -13.710 -8.247 1.00 0.43 O ATOM 873 CB VAL A 56 -20.383 -11.069 -7.002 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.737 -11.095 -7.711 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.362 -9.960 -5.944 1.00 0.63 C ATOM 0 H VAL A 56 -17.970 -12.308 -6.498 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.791 -12.619 -5.575 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.614 -10.862 -7.747 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.935 -10.118 -8.153 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.723 -11.852 -8.495 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.520 -11.333 -6.991 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.591 -9.004 -6.414 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.106 -10.175 -5.177 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.374 -9.912 -5.487 1.00 0.63 H new ATOM 885 N SER A 57 -21.223 -14.365 -7.307 1.00 0.47 N ATOM 886 CA SER A 57 -21.452 -15.495 -8.209 1.00 0.48 C ATOM 887 C SER A 57 -21.708 -15.015 -9.643 1.00 0.46 C ATOM 888 O SER A 57 -22.553 -14.148 -9.880 1.00 0.59 O ATOM 889 CB SER A 57 -22.647 -16.300 -7.688 1.00 0.61 C ATOM 890 OG SER A 57 -23.598 -15.451 -7.050 1.00 0.91 O ATOM 0 H SER A 57 -21.953 -14.248 -6.604 1.00 0.47 H new ATOM 0 HA SER A 57 -20.563 -16.125 -8.233 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.123 -16.827 -8.515 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.301 -17.057 -6.984 1.00 0.61 H new ATOM 0 HG SER A 57 -24.352 -15.988 -6.728 1.00 0.91 H new ATOM 896 N LEU A 58 -20.963 -15.586 -10.592 1.00 0.44 N ATOM 897 CA LEU A 58 -21.079 -15.233 -12.010 1.00 0.49 C ATOM 898 C LEU A 58 -21.447 -16.469 -12.840 1.00 0.60 C ATOM 899 O LEU A 58 -20.858 -16.723 -13.894 1.00 0.89 O ATOM 900 CB LEU A 58 -19.748 -14.627 -12.490 1.00 0.67 C ATOM 901 CG LEU A 58 -19.938 -13.679 -13.680 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.711 -12.426 -13.256 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.578 -13.307 -14.276 1.00 0.86 C ATOM 0 H LEU A 58 -20.264 -16.304 -10.401 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.872 -14.497 -12.139 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.280 -14.086 -11.668 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.066 -15.429 -12.772 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.523 -14.189 -14.445 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.835 -11.767 -14.115 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.691 -12.714 -12.876 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.158 -11.904 -12.475 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.723 -12.633 -15.121 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.971 -12.812 -13.517 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.070 -14.210 -14.615 1.00 0.86 H new ATOM 915 N LYS A 59 -22.438 -17.229 -12.363 1.00 0.70 N ATOM 916 CA LYS A 59 -22.908 -18.431 -13.059 1.00 0.90 C ATOM 917 C LYS A 59 -24.193 -18.102 -13.822 1.00 0.87 C ATOM 918 O LYS A 59 -25.205 -17.757 -13.216 1.00 0.95 O ATOM 919 CB LYS A 59 -23.158 -19.566 -12.047 1.00 1.13 C ATOM 920 CG LYS A 59 -22.769 -20.935 -12.626 1.00 1.41 C ATOM 921 CD LYS A 59 -23.798 -22.019 -12.285 1.00 1.78 C ATOM 922 CE LYS A 59 -24.073 -22.106 -10.781 1.00 2.18 C ATOM 923 NZ LYS A 59 -22.826 -22.314 -9.989 1.00 2.83 N ATOM 0 H LYS A 59 -22.932 -17.031 -11.493 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.147 -18.764 -13.765 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.585 -19.378 -11.139 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.210 -19.576 -11.763 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.672 -20.856 -13.709 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -21.793 -21.228 -12.239 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.730 -21.811 -12.811 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.438 -22.984 -12.643 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.563 -21.190 -10.450 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.765 -22.926 -10.587 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.073 -22.518 -9.000 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -22.293 -23.114 -10.385 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -22.242 -21.455 -10.029 1.00 2.83 H new ATOM 937 N GLU A 60 -24.141 -18.203 -15.153 1.00 0.89 N ATOM 938 CA GLU A 60 -25.293 -17.909 -16.032 1.00 0.93 C ATOM 939 C GLU A 60 -25.675 -16.422 -15.953 1.00 0.71 C ATOM 940 O GLU A 60 -26.851 -16.075 -15.829 1.00 0.82 O ATOM 941 CB GLU A 60 -26.504 -18.790 -15.674 1.00 1.20 C ATOM 942 CG GLU A 60 -26.115 -20.265 -15.535 1.00 1.43 C ATOM 943 CD GLU A 60 -27.350 -21.133 -15.327 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.311 -20.661 -14.681 1.00 2.33 O ATOM 945 OE2 GLU A 60 -27.371 -22.283 -15.812 1.00 2.04 O ATOM 0 H GLU A 60 -23.303 -18.490 -15.658 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.995 -18.138 -17.055 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.944 -18.441 -14.740 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.268 -18.687 -16.444 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.582 -20.591 -16.428 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.433 -20.388 -14.694 1.00 1.43 H new ATOM 952 N ALA A 61 -24.669 -15.549 -16.026 1.00 0.51 N ATOM 953 CA ALA A 61 -24.877 -14.103 -15.963 1.00 0.35 C ATOM 954 C ALA A 61 -25.179 -13.542 -17.352 1.00 0.35 C ATOM 955 O ALA A 61 -24.381 -13.697 -18.280 1.00 0.43 O ATOM 956 CB ALA A 61 -23.626 -13.425 -15.396 1.00 0.31 C ATOM 0 H ALA A 61 -23.692 -15.823 -16.130 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.728 -13.903 -15.312 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.785 -12.348 -15.351 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.429 -13.805 -14.394 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.773 -13.639 -16.040 1.00 0.31 H new ATOM 962 N ILE A 62 -26.322 -12.873 -17.482 1.00 0.34 N ATOM 963 CA ILE A 62 -26.731 -12.260 -18.749 1.00 0.37 C ATOM 964 C ILE A 62 -25.920 -10.978 -18.973 1.00 0.31 C ATOM 965 O ILE A 62 -25.650 -10.238 -18.023 1.00 0.31 O ATOM 966 CB ILE A 62 -28.238 -11.955 -18.710 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.050 -13.255 -18.654 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.672 -11.118 -19.911 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.915 -14.066 -19.946 1.00 1.27 C ATOM 0 H ILE A 62 -26.988 -12.740 -16.721 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.540 -12.945 -19.575 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.431 -11.376 -17.807 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.714 -13.857 -17.810 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -30.100 -13.020 -18.480 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.742 -10.922 -19.850 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.129 -10.173 -19.911 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.454 -11.661 -20.831 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.505 -14.979 -19.866 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -29.276 -13.474 -20.787 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.868 -14.324 -20.106 1.00 1.27 H new ATOM 981 N CYS A 63 -25.518 -10.726 -20.216 1.00 0.34 N ATOM 982 CA CYS A 63 -24.715 -9.541 -20.547 1.00 0.33 C ATOM 983 C CYS A 63 -25.255 -8.852 -21.804 1.00 0.34 C ATOM 984 O CYS A 63 -25.464 -9.492 -22.836 1.00 0.52 O ATOM 985 CB CYS A 63 -23.251 -9.956 -20.744 1.00 0.37 C ATOM 986 SG CYS A 63 -22.094 -8.626 -20.384 1.00 0.53 S ATOM 0 H CYS A 63 -25.733 -11.324 -21.014 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.778 -8.828 -19.725 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.030 -10.808 -20.101 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.107 -10.288 -21.772 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.917 -9.126 -20.152 1.00 0.53 H new ATOM 992 N GLU A 64 -25.469 -7.539 -21.697 1.00 0.26 N ATOM 993 CA GLU A 64 -25.976 -6.717 -22.805 1.00 0.29 C ATOM 994 C GLU A 64 -24.949 -5.638 -23.160 1.00 0.24 C ATOM 995 O GLU A 64 -24.517 -4.876 -22.293 1.00 0.36 O ATOM 996 CB GLU A 64 -27.301 -6.059 -22.408 1.00 0.33 C ATOM 997 CG GLU A 64 -28.337 -7.097 -21.971 1.00 0.81 C ATOM 998 CD GLU A 64 -29.684 -6.429 -21.745 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.770 -5.517 -20.895 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.665 -6.820 -22.406 1.00 1.83 O ATOM 0 H GLU A 64 -25.297 -7.013 -20.841 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.143 -7.355 -23.672 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.128 -5.353 -21.596 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.691 -5.487 -23.250 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.430 -7.872 -22.732 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.008 -7.588 -21.055 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.554 -5.581 -24.430 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.565 -4.602 -24.903 1.00 0.32 C ATOM 1009 C VAL A 65 -24.229 -3.242 -25.171 1.00 0.31 C ATOM 1010 O VAL A 65 -25.192 -3.148 -25.939 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.885 -5.112 -26.192 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.842 -4.111 -26.705 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.229 -6.476 -25.968 1.00 0.39 C ATOM 0 H VAL A 65 -24.904 -6.204 -25.158 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.813 -4.476 -24.125 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.664 -5.219 -26.946 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.381 -4.499 -27.613 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.327 -3.159 -26.922 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.076 -3.962 -25.944 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -21.758 -6.810 -26.893 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.474 -6.393 -25.186 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -22.987 -7.199 -25.665 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.679 -2.195 -24.557 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.157 -0.820 -24.727 1.00 0.31 C ATOM 1025 C ALA A 66 -23.166 -0.079 -25.628 1.00 0.34 C ATOM 1026 O ALA A 66 -22.021 0.168 -25.231 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.274 -0.121 -23.364 1.00 0.36 C ATOM 0 H ALA A 66 -22.884 -2.276 -23.923 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.147 -0.821 -25.184 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.630 0.899 -23.508 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.978 -0.666 -22.735 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.297 -0.100 -22.881 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.595 0.249 -26.850 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.738 0.942 -27.828 1.00 0.71 C ATOM 1035 C LEU A 67 -22.347 2.333 -27.315 1.00 0.89 C ATOM 1036 O LEU A 67 -21.181 2.585 -27.006 1.00 1.22 O ATOM 1037 CB LEU A 67 -23.466 1.047 -29.186 1.00 0.76 C ATOM 1038 CG LEU A 67 -22.554 0.670 -30.359 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.300 1.543 -30.386 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -22.173 -0.810 -30.300 1.00 1.38 C ATOM 0 H LEU A 67 -24.535 0.046 -27.191 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.824 0.364 -27.964 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -24.338 0.393 -29.181 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.831 2.065 -29.324 1.00 0.76 H new ATOM 0 HG LEU A 67 -23.110 0.846 -31.280 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.672 1.252 -31.229 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -21.587 2.589 -30.491 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.745 1.411 -29.457 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -21.526 -1.053 -31.143 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -21.646 -1.013 -29.368 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -23.075 -1.420 -30.348 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.334 3.222 -27.213 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.124 4.588 -26.724 1.00 1.14 C ATOM 1054 C ASP A 68 -24.082 4.838 -25.568 1.00 0.87 C ATOM 1055 O ASP A 68 -25.169 5.390 -25.750 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.352 5.610 -27.859 1.00 1.59 C ATOM 1057 CG ASP A 68 -22.849 7.011 -27.483 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -22.423 7.197 -26.322 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -22.867 7.925 -28.335 1.00 2.62 O ATOM 0 H ASP A 68 -24.301 3.018 -27.466 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.097 4.706 -26.379 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.840 5.271 -28.760 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.415 5.658 -28.095 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.675 4.422 -24.370 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.491 4.597 -23.158 1.00 0.69 C ATOM 1066 C TYR A 69 -24.356 6.038 -22.636 1.00 0.97 C ATOM 1067 O TYR A 69 -24.184 6.271 -21.439 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.071 3.568 -22.085 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.863 3.671 -20.797 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.233 3.446 -20.799 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.223 3.985 -19.609 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.954 3.538 -19.622 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.949 4.078 -18.432 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.309 3.869 -18.445 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.042 3.941 -17.280 1.00 0.97 O ATOM 0 H TYR A 69 -22.781 3.958 -24.207 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.540 4.423 -23.399 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.187 2.564 -22.493 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.012 3.701 -21.862 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.737 3.199 -21.722 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.157 4.158 -19.600 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.018 3.352 -19.623 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.448 4.314 -17.505 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.795 3.316 -17.328 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.437 7.003 -23.563 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.336 8.440 -23.259 1.00 1.81 C ATOM 1087 C LYS A 70 -22.985 8.793 -22.617 1.00 1.82 C ATOM 1088 O LYS A 70 -22.914 9.660 -21.747 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.502 8.887 -22.355 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.862 8.645 -23.019 1.00 2.98 C ATOM 1091 CD LYS A 70 -27.901 8.172 -21.998 1.00 3.79 C ATOM 1092 CE LYS A 70 -29.323 8.231 -22.567 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.401 7.570 -23.903 1.00 4.84 N ATOM 0 H LYS A 70 -24.576 6.808 -24.554 1.00 1.40 H new ATOM 0 HA LYS A 70 -24.400 8.980 -24.203 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -25.457 8.346 -21.410 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.395 9.946 -22.121 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.207 9.564 -23.493 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.757 7.899 -23.807 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.673 7.151 -21.693 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -27.841 8.792 -21.104 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -30.013 7.745 -21.878 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.639 9.270 -22.654 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.398 7.414 -24.155 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -28.954 8.179 -24.618 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.905 6.656 -23.868 1.00 4.84 H new ATOM 1107 N LYS A 71 -21.918 8.128 -23.065 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.564 8.372 -22.551 1.00 2.22 C ATOM 1109 C LYS A 71 -19.549 8.158 -23.680 1.00 2.19 C ATOM 1110 O LYS A 71 -19.660 8.768 -24.741 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.268 7.447 -21.355 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.203 7.729 -20.176 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.626 7.191 -18.861 1.00 4.44 C ATOM 1114 CE LYS A 71 -21.255 7.879 -17.643 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.790 9.291 -17.508 1.00 5.62 N ATOM 0 H LYS A 71 -21.964 7.410 -23.788 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.487 9.401 -22.199 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.375 6.407 -21.664 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.233 7.581 -21.039 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.368 8.803 -20.090 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.174 7.271 -20.363 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.797 6.116 -18.801 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -19.547 7.343 -18.848 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -22.341 7.860 -17.734 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -21.002 7.324 -16.740 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -21.007 9.638 -16.552 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -19.763 9.335 -17.667 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -21.275 9.885 -18.210 1.00 5.62 H new ATOM 1129 N LYS A 72 -18.568 7.284 -23.452 1.00 2.22 N ATOM 1130 CA LYS A 72 -17.541 6.974 -24.449 1.00 2.54 C ATOM 1131 C LYS A 72 -16.952 5.595 -24.149 1.00 1.92 C ATOM 1132 O LYS A 72 -16.802 5.222 -22.981 1.00 2.45 O ATOM 1133 CB LYS A 72 -16.441 8.058 -24.446 1.00 3.71 C ATOM 1134 CG LYS A 72 -16.368 8.787 -25.797 1.00 4.59 C ATOM 1135 CD LYS A 72 -16.180 10.300 -25.629 1.00 5.67 C ATOM 1136 CE LYS A 72 -17.492 11.004 -25.256 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.536 10.842 -26.309 1.00 7.03 N ATOM 0 H LYS A 72 -18.462 6.773 -22.576 1.00 2.22 H new ATOM 0 HA LYS A 72 -17.989 6.961 -25.443 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -16.640 8.778 -23.653 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -15.477 7.600 -24.226 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -15.542 8.383 -26.382 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -17.281 8.596 -26.361 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -15.435 10.489 -24.857 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -15.793 10.722 -26.556 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -17.863 10.602 -24.313 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -17.301 12.065 -25.096 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -19.078 11.725 -26.399 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -18.081 10.621 -27.218 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -19.178 10.067 -26.045 1.00 7.03 H new ATOM 1151 N LYS A 73 -16.650 4.840 -25.210 1.00 1.52 N ATOM 1152 CA LYS A 73 -16.108 3.478 -25.118 1.00 1.35 C ATOM 1153 C LYS A 73 -17.230 2.500 -24.764 1.00 1.05 C ATOM 1154 O LYS A 73 -18.200 2.851 -24.088 1.00 1.79 O ATOM 1155 CB LYS A 73 -14.938 3.358 -24.122 1.00 1.94 C ATOM 1156 CG LYS A 73 -13.867 4.444 -24.325 1.00 2.32 C ATOM 1157 CD LYS A 73 -13.490 4.633 -25.804 1.00 2.93 C ATOM 1158 CE LYS A 73 -12.682 3.445 -26.349 1.00 3.52 C ATOM 1159 NZ LYS A 73 -11.226 3.567 -26.046 1.00 3.96 N ATOM 0 H LYS A 73 -16.776 5.161 -26.170 1.00 1.52 H new ATOM 0 HA LYS A 73 -15.696 3.226 -26.095 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -15.325 3.422 -23.105 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.477 2.376 -24.227 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -14.232 5.389 -23.923 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -12.975 4.180 -23.757 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -14.397 4.757 -26.396 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.909 5.548 -25.916 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -13.065 2.520 -25.919 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -12.822 3.377 -27.428 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -10.689 2.922 -26.659 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -10.917 4.545 -26.217 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.057 3.320 -25.050 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.104 1.282 -25.268 1.00 0.67 N ATOM 1174 CA HIS A 74 -18.112 0.233 -25.064 1.00 0.38 C ATOM 1175 C HIS A 74 -18.336 -0.092 -23.573 1.00 0.30 C ATOM 1176 O HIS A 74 -17.393 -0.408 -22.828 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.707 -1.048 -25.812 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.934 -0.977 -27.296 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.995 -0.517 -28.178 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -18.994 -1.330 -28.070 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -17.433 -0.577 -29.413 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -18.661 -1.072 -29.387 1.00 1.53 N ATOM 0 H HIS A 74 -16.306 0.986 -25.829 1.00 0.67 H new ATOM 0 HA HIS A 74 -19.051 0.618 -25.462 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.653 -1.250 -25.624 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -18.270 -1.889 -25.407 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -16.073 -0.172 -27.910 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -19.930 -1.739 -27.719 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.888 -0.276 -30.295 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.608 -0.041 -23.174 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.050 -0.353 -21.812 1.00 0.23 C ATOM 1192 C VAL A 75 -20.986 -1.556 -21.900 1.00 0.22 C ATOM 1193 O VAL A 75 -21.821 -1.611 -22.795 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.799 0.855 -21.214 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.437 0.517 -19.859 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.869 2.058 -21.078 1.00 0.31 C ATOM 0 H VAL A 75 -20.372 0.222 -23.796 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.197 -0.576 -21.171 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.603 1.110 -21.905 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.955 1.394 -19.472 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.149 -0.298 -19.985 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.660 0.215 -19.157 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.420 2.898 -20.654 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.037 1.802 -20.423 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.486 2.334 -22.060 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.863 -2.511 -20.985 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.736 -3.693 -20.995 1.00 0.23 C ATOM 1208 C PHE A 76 -22.495 -3.790 -19.679 1.00 0.22 C ATOM 1209 O PHE A 76 -21.955 -3.504 -18.608 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.942 -4.976 -21.283 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.836 -5.279 -20.295 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.559 -4.787 -20.511 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.093 -6.068 -19.184 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.541 -5.085 -19.620 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.075 -6.363 -18.292 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.799 -5.872 -18.511 1.00 0.29 C ATOM 0 H PHE A 76 -20.176 -2.497 -20.231 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.459 -3.581 -21.803 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.634 -5.818 -21.300 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.508 -4.901 -22.280 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.357 -4.171 -21.375 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.088 -6.453 -19.014 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.545 -4.703 -19.791 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.277 -6.976 -17.426 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.005 -6.103 -17.816 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.757 -4.183 -19.776 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.632 -4.317 -18.617 1.00 0.28 C ATOM 1228 C LYS A 77 -24.687 -5.780 -18.185 1.00 0.31 C ATOM 1229 O LYS A 77 -25.159 -6.640 -18.931 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.040 -3.806 -18.953 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.022 -2.712 -20.031 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.272 -1.832 -19.961 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.538 -2.619 -20.310 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.646 -1.711 -20.710 1.00 1.95 N ATOM 0 H LYS A 77 -24.205 -4.419 -20.661 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.236 -3.718 -17.797 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.654 -4.639 -19.294 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.507 -3.415 -18.049 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.133 -2.093 -19.907 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -25.955 -3.173 -21.017 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.368 -1.415 -18.959 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.165 -0.992 -20.647 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.324 -3.315 -21.121 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.846 -3.216 -19.451 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.490 -2.274 -20.940 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.865 -1.064 -19.926 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.359 -1.160 -21.544 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.196 -6.042 -16.985 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.161 -7.383 -16.417 1.00 0.24 C ATOM 1250 C LEU A 78 -25.380 -7.606 -15.531 1.00 0.29 C ATOM 1251 O LEU A 78 -25.552 -6.926 -14.516 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.869 -7.565 -15.604 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.951 -8.608 -16.232 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.727 -8.844 -15.343 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.696 -9.925 -16.482 1.00 0.30 C ATOM 0 H LEU A 78 -23.807 -5.326 -16.372 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.179 -8.117 -17.223 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.344 -6.612 -15.536 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.118 -7.865 -14.586 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.616 -8.226 -17.196 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.081 -9.591 -15.804 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.177 -7.910 -15.226 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.051 -9.199 -14.365 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.015 -10.649 -16.930 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.070 -10.316 -15.536 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.533 -9.747 -17.158 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.212 -8.570 -15.917 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.418 -8.918 -15.175 1.00 0.40 C ATOM 1269 C ARG A 79 -27.232 -10.284 -14.520 1.00 0.45 C ATOM 1270 O ARG A 79 -27.388 -11.327 -15.162 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.629 -8.918 -16.114 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.010 -7.493 -16.519 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.455 -7.414 -17.030 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.077 -6.147 -16.624 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.396 -6.005 -16.529 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.162 -6.155 -17.600 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.949 -5.723 -15.354 1.00 2.99 N ATOM 0 H ARG A 79 -26.067 -9.133 -16.755 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.597 -8.178 -14.395 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.403 -9.505 -17.004 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.475 -9.398 -15.622 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.890 -6.827 -15.664 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -28.330 -7.141 -17.295 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.468 -7.500 -18.117 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.032 -8.251 -16.637 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.478 -5.350 -16.408 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.740 -6.380 -18.501 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.173 -6.045 -17.523 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.362 -5.616 -14.527 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.960 -5.614 -15.279 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.868 -10.259 -13.241 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.618 -11.463 -12.457 1.00 0.68 C ATOM 1293 C LEU A 80 -27.893 -12.279 -12.252 1.00 0.84 C ATOM 1294 O LEU A 80 -28.992 -11.736 -12.136 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.008 -11.071 -11.111 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.598 -10.524 -11.305 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.626 -9.054 -11.676 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -23.746 -10.750 -10.060 1.00 1.06 C ATOM 0 H LEU A 80 -26.737 -9.394 -12.716 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.919 -12.094 -13.006 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.632 -10.320 -10.626 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.981 -11.938 -10.451 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.143 -11.071 -12.131 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.606 -8.692 -11.808 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -25.180 -8.924 -12.606 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -25.112 -8.487 -10.882 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -22.746 -10.350 -10.226 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -24.203 -10.243 -9.210 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -23.680 -11.818 -9.853 1.00 1.06 H new ATOM 1310 N SER A 81 -27.712 -13.593 -12.217 1.00 1.01 N ATOM 1311 CA SER A 81 -28.810 -14.556 -12.044 1.00 1.23 C ATOM 1312 C SER A 81 -29.461 -14.446 -10.659 1.00 1.40 C ATOM 1313 O SER A 81 -30.652 -14.718 -10.507 1.00 1.92 O ATOM 1314 CB SER A 81 -28.287 -15.986 -12.264 1.00 1.52 C ATOM 1315 OG SER A 81 -26.964 -16.133 -11.745 1.00 2.18 O ATOM 0 H SER A 81 -26.795 -14.031 -12.308 1.00 1.01 H new ATOM 0 HA SER A 81 -29.574 -14.322 -12.785 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.953 -16.699 -11.779 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.292 -16.219 -13.329 1.00 1.52 H new ATOM 0 HG SER A 81 -26.439 -16.705 -12.344 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.669 -14.057 -9.652 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.154 -13.916 -8.268 1.00 1.76 C ATOM 1323 C ASP A 82 -30.267 -12.865 -8.191 1.00 1.31 C ATOM 1324 O ASP A 82 -31.429 -13.190 -7.969 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.993 -13.509 -7.338 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.253 -14.733 -6.805 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -26.888 -15.614 -7.608 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.022 -14.809 -5.582 1.00 3.98 O ATOM 0 H ASP A 82 -27.681 -13.832 -9.769 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.555 -14.877 -7.946 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.297 -12.869 -7.880 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.381 -12.924 -6.504 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.890 -11.607 -8.373 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.832 -10.487 -8.326 1.00 1.53 C ATOM 1335 C GLY A 83 -30.070 -9.183 -8.141 1.00 1.31 C ATOM 1336 O GLY A 83 -30.324 -8.430 -7.177 1.00 1.88 O ATOM 0 H GLY A 83 -28.926 -11.330 -8.557 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.415 -10.451 -9.246 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.537 -10.627 -7.507 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.130 -8.932 -9.072 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.293 -7.735 -9.057 1.00 0.71 C ATOM 1342 C ASN A 84 -27.940 -7.381 -10.496 1.00 0.62 C ATOM 1343 O ASN A 84 -27.894 -8.268 -11.358 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.004 -8.008 -8.250 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.061 -7.362 -6.864 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.602 -6.238 -6.675 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.598 -8.075 -5.888 1.00 1.32 N ATOM 0 H ASN A 84 -28.936 -9.559 -9.853 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.827 -6.908 -8.589 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.860 -9.083 -8.145 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.143 -7.623 -8.797 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.641 -7.695 -4.942 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.970 -9.005 -6.081 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.701 -6.099 -10.767 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.358 -5.644 -12.112 1.00 0.55 C ATOM 1356 C GLU A 85 -26.412 -4.436 -12.022 1.00 0.47 C ATOM 1357 O GLU A 85 -26.674 -3.476 -11.282 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.667 -5.330 -12.891 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.709 -3.915 -13.467 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.996 -3.716 -14.257 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.038 -3.405 -13.641 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.967 -3.857 -15.497 1.00 1.43 O ATOM 0 H GLU A 85 -27.739 -5.355 -10.070 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.828 -6.422 -12.662 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.778 -6.048 -13.704 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.519 -5.468 -12.225 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.649 -3.183 -12.662 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.846 -3.750 -14.112 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.307 -4.493 -12.773 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.301 -3.420 -12.786 1.00 0.31 C ATOM 1371 C TYR A 86 -23.834 -3.131 -14.216 1.00 0.29 C ATOM 1372 O TYR A 86 -23.787 -4.032 -15.055 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.067 -3.811 -11.947 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.357 -4.620 -10.697 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.741 -3.981 -9.530 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.208 -5.999 -10.710 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.973 -4.716 -8.380 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.448 -6.733 -9.560 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.827 -6.086 -8.401 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.054 -6.811 -7.255 1.00 0.77 O ATOM 0 H TYR A 86 -25.084 -5.277 -13.386 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.771 -2.533 -12.361 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.386 -4.382 -12.578 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.544 -2.900 -11.656 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.860 -2.908 -9.517 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.905 -6.501 -11.617 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.268 -4.217 -7.469 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.339 -7.807 -9.570 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.791 -6.406 -6.752 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.435 -1.881 -14.466 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.905 -1.470 -15.772 1.00 0.23 C ATOM 1392 C LEU A 87 -21.382 -1.422 -15.674 1.00 0.22 C ATOM 1393 O LEU A 87 -20.841 -0.888 -14.698 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.433 -0.087 -16.187 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.957 0.005 -16.131 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.438 1.246 -16.880 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.614 -1.246 -16.711 1.00 0.38 C ATOM 0 H LEU A 87 -23.469 -1.130 -13.777 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.228 -2.188 -16.526 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.003 0.672 -15.533 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.097 0.137 -17.199 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.249 0.082 -15.084 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.526 1.301 -16.833 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.010 2.137 -16.421 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.122 1.187 -17.922 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.698 -1.147 -16.655 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.314 -1.365 -17.752 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.300 -2.120 -16.140 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.699 -1.985 -16.668 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.236 -2.021 -16.691 1.00 0.19 C ATOM 1411 C PHE A 88 -18.696 -1.318 -17.930 1.00 0.20 C ATOM 1412 O PHE A 88 -18.915 -1.767 -19.057 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.750 -3.471 -16.670 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.819 -4.094 -15.296 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.841 -3.822 -14.352 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.866 -4.938 -14.978 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.911 -4.400 -13.096 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.939 -5.515 -13.724 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.932 -5.227 -12.772 1.00 0.22 C ATOM 0 H PHE A 88 -21.139 -2.427 -17.475 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.867 -1.500 -15.807 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.352 -4.061 -17.361 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.722 -3.510 -17.030 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.024 -3.159 -14.596 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.630 -5.148 -15.712 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.143 -4.189 -12.367 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.754 -6.177 -13.474 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.978 -5.667 -11.787 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.978 -0.222 -17.704 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.374 0.567 -18.780 1.00 0.26 C ATOM 1431 C GLN A 89 -15.912 0.163 -18.956 1.00 0.22 C ATOM 1432 O GLN A 89 -15.106 0.322 -18.034 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.460 2.065 -18.448 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.996 2.942 -19.626 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.743 3.736 -19.249 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.790 4.600 -18.374 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.626 3.447 -19.901 1.00 1.63 N ATOM 0 H GLN A 89 -17.797 0.147 -16.770 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.916 0.377 -19.706 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.487 2.321 -18.188 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.847 2.279 -17.573 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.788 2.315 -20.493 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.794 3.627 -19.912 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.628 2.724 -20.620 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.764 3.948 -19.684 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.565 -0.332 -20.143 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.185 -0.726 -20.439 1.00 0.24 C ATOM 1448 C ALA A 90 -13.449 0.444 -21.086 1.00 0.27 C ATOM 1449 O ALA A 90 -14.075 1.318 -21.696 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.166 -1.935 -21.372 1.00 0.29 C ATOM 0 H ALA A 90 -16.217 -0.470 -20.915 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.686 -0.998 -19.509 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.134 -2.216 -21.583 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.679 -2.770 -20.896 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.671 -1.683 -22.304 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.123 0.456 -20.970 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.304 1.520 -21.565 1.00 0.44 C ATOM 1458 C LYS A 91 -10.979 1.173 -23.017 1.00 0.49 C ATOM 1459 O LYS A 91 -10.957 2.046 -23.882 1.00 0.68 O ATOM 1460 CB LYS A 91 -10.013 1.748 -20.759 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.423 0.447 -20.202 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.960 0.136 -18.801 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.910 -0.575 -17.951 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.542 -1.899 -18.528 1.00 2.29 N ATOM 0 H LYS A 91 -11.590 -0.256 -20.471 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.875 2.448 -21.540 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.274 2.234 -21.396 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.221 2.430 -19.934 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.661 -0.378 -20.874 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.336 0.526 -20.166 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.262 1.062 -18.311 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.850 -0.488 -18.880 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.020 0.049 -17.874 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -9.292 -0.712 -16.939 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.579 -2.152 -18.229 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.210 -2.622 -18.192 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.580 -1.848 -19.566 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.747 -0.115 -23.276 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.443 -0.601 -24.625 1.00 0.66 C ATOM 1480 C ASP A 92 -11.621 -1.420 -25.153 1.00 0.59 C ATOM 1481 O ASP A 92 -12.228 -2.201 -24.412 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.175 -1.474 -24.610 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.462 -1.439 -25.958 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.067 -1.858 -26.968 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.292 -1.012 -26.006 1.00 2.01 O ATOM 0 H ASP A 92 -10.764 -0.846 -22.564 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.271 0.257 -25.275 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.499 -1.124 -23.830 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.441 -2.502 -24.364 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.922 -1.264 -26.439 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.012 -2.011 -27.088 1.00 0.63 C ATOM 1492 C ASP A 93 -12.669 -3.507 -27.117 1.00 0.49 C ATOM 1493 O ASP A 93 -13.549 -4.367 -26.999 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.242 -1.500 -28.522 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.857 -0.097 -28.530 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.570 0.267 -27.570 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.643 0.643 -29.514 1.00 2.13 O ATOM 0 H ASP A 93 -11.427 -0.625 -27.061 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.927 -1.859 -26.516 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.294 -1.485 -29.060 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.899 -2.189 -29.053 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.367 -3.809 -27.231 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.877 -5.194 -27.237 1.00 0.41 C ATOM 1504 C GLU A 94 -11.089 -5.826 -25.861 1.00 0.36 C ATOM 1505 O GLU A 94 -11.451 -6.998 -25.752 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.389 -5.225 -27.603 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.175 -4.941 -29.095 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.123 -6.240 -29.889 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.931 -7.148 -29.616 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.267 -6.360 -30.789 1.00 2.43 O ATOM 0 H GLU A 94 -10.632 -3.108 -27.321 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.435 -5.763 -27.981 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.851 -4.486 -27.009 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.971 -6.200 -27.353 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.982 -4.312 -29.470 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.247 -4.386 -29.235 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.884 -5.016 -24.816 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.063 -5.443 -23.425 1.00 0.29 C ATOM 1519 C GLU A 95 -12.523 -5.836 -23.175 1.00 0.24 C ATOM 1520 O GLU A 95 -12.802 -6.866 -22.562 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.660 -4.304 -22.485 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.325 -4.816 -21.088 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.478 -3.703 -20.060 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.665 -2.534 -20.453 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.399 -3.993 -18.854 1.00 1.30 O ATOM 0 H GLU A 95 -10.589 -4.044 -24.912 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.431 -6.310 -23.234 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.797 -3.780 -22.897 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.472 -3.580 -22.422 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.981 -5.648 -20.832 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.304 -5.198 -21.070 1.00 0.42 H new ATOM 1532 N MET A 96 -13.447 -5.007 -23.678 1.00 0.24 N ATOM 1533 CA MET A 96 -14.892 -5.247 -23.544 1.00 0.22 C ATOM 1534 C MET A 96 -15.260 -6.614 -24.128 1.00 0.22 C ATOM 1535 O MET A 96 -15.958 -7.406 -23.489 1.00 0.23 O ATOM 1536 CB MET A 96 -15.669 -4.137 -24.263 1.00 0.26 C ATOM 1537 CG MET A 96 -17.187 -4.377 -24.235 1.00 0.39 C ATOM 1538 SD MET A 96 -17.812 -5.220 -25.708 1.00 0.94 S ATOM 1539 CE MET A 96 -17.050 -4.284 -27.049 1.00 0.77 C ATOM 0 H MET A 96 -13.216 -4.154 -24.188 1.00 0.24 H new ATOM 0 HA MET A 96 -15.157 -5.240 -22.487 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.446 -3.178 -23.795 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.332 -4.072 -25.298 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.437 -4.968 -23.354 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.696 -3.419 -24.131 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.809 -4.018 -27.784 1.00 0.77 H new ATOM 0 HE2 MET A 96 -16.599 -3.376 -26.648 1.00 0.77 H new ATOM 0 HE3 MET A 96 -16.281 -4.892 -27.526 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.768 -6.887 -25.340 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.024 -8.165 -26.021 1.00 0.28 C ATOM 1551 C ASN A 97 -14.509 -9.342 -25.169 1.00 0.26 C ATOM 1552 O ASN A 97 -15.196 -10.355 -25.020 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.349 -8.158 -27.404 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.827 -9.335 -28.262 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.108 -10.319 -28.436 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.038 -9.235 -28.799 1.00 1.24 N ATOM 0 H ASN A 97 -14.188 -6.239 -25.873 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.099 -8.290 -26.154 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.569 -7.220 -27.914 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.267 -8.209 -27.283 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.403 -9.990 -29.379 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.603 -8.403 -28.631 1.00 1.24 H new ATOM 1563 N THR A 98 -13.305 -9.192 -24.601 1.00 0.25 N ATOM 1564 CA THR A 98 -12.695 -10.230 -23.753 1.00 0.27 C ATOM 1565 C THR A 98 -13.505 -10.442 -22.460 1.00 0.23 C ATOM 1566 O THR A 98 -13.769 -11.580 -22.066 1.00 0.27 O ATOM 1567 CB THR A 98 -11.249 -9.839 -23.407 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.583 -9.341 -24.561 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.466 -11.024 -22.835 1.00 0.39 C ATOM 0 H THR A 98 -12.730 -8.357 -24.713 1.00 0.25 H new ATOM 0 HA THR A 98 -12.696 -11.167 -24.310 1.00 0.27 H new ATOM 0 HB THR A 98 -11.294 -9.060 -22.646 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.906 -8.438 -24.761 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.449 -10.710 -22.602 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.953 -11.377 -21.926 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.438 -11.830 -23.569 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.894 -9.339 -21.806 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.672 -9.390 -20.555 1.00 0.20 C ATOM 1579 C TRP A 99 -15.994 -10.140 -20.763 1.00 0.21 C ATOM 1580 O TRP A 99 -16.313 -11.069 -20.020 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.962 -7.961 -20.046 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.847 -7.370 -19.227 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.145 -6.230 -19.502 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.314 -7.883 -17.986 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.223 -6.031 -18.514 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.294 -7.014 -17.580 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.598 -8.992 -17.188 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.570 -7.221 -16.419 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.876 -9.207 -16.022 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.869 -8.329 -15.642 1.00 0.29 C ATOM 0 H TRP A 99 -13.682 -8.393 -22.123 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.080 -9.924 -19.812 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.155 -7.313 -20.901 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.872 -7.977 -19.446 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.295 -5.591 -20.360 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.569 -5.249 -18.482 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.378 -9.681 -17.477 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.790 -6.535 -16.125 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.099 -10.065 -15.405 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.314 -8.511 -14.733 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.760 -9.731 -21.777 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.052 -10.359 -22.087 1.00 0.24 C ATOM 1603 C ILE A 100 -17.876 -11.840 -22.454 1.00 0.28 C ATOM 1604 O ILE A 100 -18.675 -12.683 -22.041 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.738 -9.594 -23.226 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.075 -8.171 -22.775 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.009 -10.310 -23.694 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.660 -7.347 -23.917 1.00 0.29 C ATOM 0 H ILE A 100 -16.509 -8.965 -22.401 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.682 -10.315 -21.199 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.046 -9.552 -24.067 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.787 -8.208 -21.950 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.175 -7.685 -22.398 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.470 -9.742 -24.502 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.754 -11.307 -24.052 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.708 -10.391 -22.862 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.888 -6.342 -23.561 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.937 -7.289 -24.731 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.574 -7.820 -24.276 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.826 -12.159 -23.215 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.549 -13.545 -23.618 1.00 0.35 C ATOM 1622 C GLN A 101 -16.207 -14.407 -22.395 1.00 0.36 C ATOM 1623 O GLN A 101 -16.689 -15.536 -22.270 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.398 -13.587 -24.636 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.880 -13.214 -26.043 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.614 -14.386 -26.696 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.838 -14.380 -26.800 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.868 -15.387 -27.134 1.00 1.76 N ATOM 0 H GLN A 101 -16.152 -11.478 -23.566 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.446 -13.951 -24.086 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.611 -12.900 -24.326 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -14.961 -14.586 -24.652 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.542 -12.350 -25.988 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.029 -12.924 -26.659 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.854 -15.352 -27.028 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -16.307 -16.194 -27.578 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.384 -13.864 -21.494 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.975 -14.565 -20.269 1.00 0.37 C ATOM 1639 C ALA A 102 -16.164 -14.761 -19.319 1.00 0.38 C ATOM 1640 O ALA A 102 -16.259 -15.780 -18.633 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.874 -13.768 -19.562 1.00 0.38 C ATOM 0 H ALA A 102 -14.983 -12.931 -21.590 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.597 -15.548 -20.548 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.573 -14.290 -18.654 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.015 -13.668 -20.225 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.250 -12.778 -19.303 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.063 -13.775 -19.284 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.252 -13.816 -18.423 1.00 0.38 C ATOM 1649 C ILE A 103 -19.284 -14.804 -18.981 1.00 0.47 C ATOM 1650 O ILE A 103 -19.777 -15.677 -18.264 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.853 -12.399 -18.310 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.937 -11.492 -17.471 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.264 -12.426 -17.713 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.106 -10.016 -17.839 1.00 0.35 C ATOM 0 H ILE A 103 -16.990 -12.928 -19.848 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.966 -14.158 -17.429 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.928 -11.994 -19.319 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.159 -11.630 -16.413 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.898 -11.787 -17.620 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.652 -11.409 -17.650 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.917 -13.025 -18.348 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.229 -12.863 -16.715 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.442 -9.409 -17.224 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.858 -9.873 -18.891 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.139 -9.714 -17.665 1.00 0.35 H new ATOM 1666 N SER A 104 -19.611 -14.657 -20.267 1.00 0.53 N ATOM 1667 CA SER A 104 -20.594 -15.522 -20.939 1.00 0.66 C ATOM 1668 C SER A 104 -20.143 -16.990 -20.964 1.00 0.72 C ATOM 1669 O SER A 104 -20.962 -17.896 -20.807 1.00 0.89 O ATOM 1670 CB SER A 104 -20.823 -15.018 -22.367 1.00 0.81 C ATOM 1671 OG SER A 104 -21.124 -13.626 -22.365 1.00 1.05 O ATOM 0 H SER A 104 -19.207 -13.941 -20.872 1.00 0.53 H new ATOM 0 HA SER A 104 -21.525 -15.477 -20.375 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.934 -15.203 -22.970 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.641 -15.572 -22.827 1.00 0.81 H new ATOM 0 HG SER A 104 -20.299 -13.113 -22.490 1.00 1.05 H new ATOM 1677 N SER A 105 -18.843 -17.220 -21.163 1.00 0.80 N ATOM 1678 CA SER A 105 -18.289 -18.583 -21.216 1.00 1.13 C ATOM 1679 C SER A 105 -17.867 -19.082 -19.822 1.00 1.23 C ATOM 1680 O SER A 105 -17.079 -20.020 -19.714 1.00 1.61 O ATOM 1681 CB SER A 105 -17.088 -18.617 -22.173 1.00 1.48 C ATOM 1682 OG SER A 105 -17.371 -17.894 -23.368 1.00 1.63 O ATOM 0 H SER A 105 -18.151 -16.482 -21.291 1.00 0.80 H new ATOM 0 HA SER A 105 -19.070 -19.249 -21.582 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.214 -18.189 -21.682 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.842 -19.650 -22.418 1.00 1.48 H new ATOM 0 HG SER A 105 -17.060 -16.970 -23.272 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.395 -18.462 -18.760 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.069 -18.861 -17.385 1.00 1.59 C ATOM 1690 C ALA A 106 -18.802 -20.152 -17.011 1.00 2.40 C ATOM 1691 O ALA A 106 -18.259 -20.940 -16.213 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.449 -17.746 -16.410 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.921 -20.382 -17.516 1.00 3.05 O ATOM 0 H ALA A 106 -19.049 -17.682 -18.826 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.995 -19.039 -17.323 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.203 -18.052 -15.393 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.896 -16.840 -16.660 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.519 -17.550 -16.481 1.00 1.90 H new TER 1699 ALA A 106