USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=36 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 84 ASN : amide:sc= -0.451 K(o=0.63,f=-2.7!) USER MOD Set 1.2: A 86 TYR OH : rot -12:sc= 1.08 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -115:sc= 1.19 (180deg=0.441) USER MOD Set 2.2: A 69 TYR OH : rot 30:sc=-0.00874 USER MOD Set 3.1: A 14 HIS : no HE2:sc= -0.96 K(o=-0.11,f=-6.3!) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 136:sc= 0.847 (180deg=-0.00152) USER MOD Set 4.1: A 6 ASN : amide:sc= 0.217 K(o=0.27,f=-0.47) USER MOD Set 4.2: A 89 GLN : amide:sc= 0.0546 X(o=0.27,f=-0.023) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.118 (180deg=-0.456) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.26 (180deg=1.01) USER MOD Single : A 9 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-9.9!) USER MOD Single : A 15 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0136 (180deg=-0.177) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 91:sc= 0.0163 USER MOD Single : A 22 SER OG : rot 73:sc= 0.117 USER MOD Single : A 24 HIS : no HE2:sc= 0.212 K(o=0.21,f=-5.3!) USER MOD Single : A 25 ASN : amide:sc=-0.00277 K(o=-0.0028,f=-2.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -65:sc= 0.869 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.7) USER MOD Single : A 33 GLN : amide:sc= 0.772 X(o=0.77,f=0.37) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.136 (180deg=-2.72!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.022 (180deg=-0.181) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.1) USER MOD Single : A 43 SER OG : rot 83:sc= 1.1 USER MOD Single : A 46 SER OG : rot 83:sc= 0.541 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.768 K(o=0.77,f=-2.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0624) USER MOD Single : A 63 CYS SG : rot -2:sc= -0.0961 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0436) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc=-0.00391 (180deg=-0.161) USER MOD Single : A 74 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= 0.0509 (180deg=-0.778) USER MOD Single : A 81 SER OG : rot 107:sc= 1.33 USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= 0.574 (180deg=-2.89!) USER MOD Single : A 96 MET CE :methyl -106:sc= -0.319 (180deg=-3.11!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 101 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.7!) USER MOD Single : A 104 SER OG : rot 75:sc= 1.22 USER MOD Single : A 105 SER OG : rot 80:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.681 -13.666 -16.268 1.00 1.74 N ATOM 2 CA MET A 1 -9.118 -12.322 -16.713 1.00 1.02 C ATOM 3 C MET A 1 -9.148 -11.378 -15.515 1.00 0.87 C ATOM 4 O MET A 1 -10.094 -11.394 -14.719 1.00 1.29 O ATOM 5 CB MET A 1 -10.496 -12.373 -17.391 1.00 1.60 C ATOM 6 CG MET A 1 -10.364 -12.436 -18.915 1.00 2.33 C ATOM 7 SD MET A 1 -9.654 -10.929 -19.609 1.00 3.31 S ATOM 8 CE MET A 1 -10.965 -9.739 -19.281 1.00 4.33 C ATOM 0 H1 MET A 1 -8.562 -14.284 -17.096 1.00 1.74 H new ATOM 0 H2 MET A 1 -7.776 -13.587 -15.762 1.00 1.74 H new ATOM 0 H3 MET A 1 -9.398 -14.072 -15.634 1.00 1.74 H new ATOM 0 HA MET A 1 -8.406 -11.954 -17.451 1.00 1.02 H new ATOM 0 HB2 MET A 1 -11.047 -13.244 -17.035 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.075 -11.493 -17.110 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.740 -13.287 -19.188 1.00 2.33 H new ATOM 0 HG3 MET A 1 -11.346 -12.607 -19.355 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.818 -8.855 -19.902 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.931 -10.188 -19.513 1.00 4.33 H new ATOM 0 HE3 MET A 1 -10.941 -9.452 -18.230 1.00 4.33 H new ATOM 20 N GLU A 2 -8.100 -10.569 -15.393 1.00 0.51 N ATOM 21 CA GLU A 2 -7.955 -9.601 -14.303 1.00 0.37 C ATOM 22 C GLU A 2 -7.604 -8.234 -14.888 1.00 0.34 C ATOM 23 O GLU A 2 -6.741 -8.134 -15.769 1.00 0.48 O ATOM 24 CB GLU A 2 -6.853 -10.061 -13.337 1.00 0.53 C ATOM 25 CG GLU A 2 -7.185 -11.420 -12.703 1.00 0.96 C ATOM 26 CD GLU A 2 -6.415 -12.546 -13.380 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.223 -12.733 -13.065 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.997 -13.246 -14.234 1.00 2.16 O ATOM 0 H GLU A 2 -7.320 -10.564 -16.051 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.893 -9.529 -13.752 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.906 -10.131 -13.872 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.722 -9.316 -12.553 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.943 -11.398 -11.641 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.256 -11.609 -12.782 1.00 0.96 H new ATOM 35 N GLY A 3 -8.269 -7.186 -14.409 1.00 0.25 N ATOM 36 CA GLY A 3 -8.025 -5.829 -14.897 1.00 0.28 C ATOM 37 C GLY A 3 -9.003 -4.835 -14.278 1.00 0.22 C ATOM 38 O GLY A 3 -9.912 -5.213 -13.531 1.00 0.22 O ATOM 0 H GLY A 3 -8.982 -7.249 -13.682 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.003 -5.533 -14.660 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.119 -5.808 -15.983 1.00 0.28 H new ATOM 42 N PHE A 4 -8.808 -3.556 -14.598 1.00 0.24 N ATOM 43 CA PHE A 4 -9.661 -2.480 -14.086 1.00 0.21 C ATOM 44 C PHE A 4 -10.918 -2.323 -14.940 1.00 0.22 C ATOM 45 O PHE A 4 -10.874 -2.422 -16.169 1.00 0.27 O ATOM 46 CB PHE A 4 -8.895 -1.158 -14.078 1.00 0.23 C ATOM 47 CG PHE A 4 -7.985 -1.006 -12.884 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.527 -0.738 -11.641 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.611 -1.132 -13.028 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.702 -0.589 -10.544 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.786 -0.984 -11.928 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.330 -0.713 -10.686 1.00 0.41 C ATOM 0 H PHE A 4 -8.061 -3.237 -15.214 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.954 -2.743 -13.070 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.303 -1.083 -14.990 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.607 -0.333 -14.092 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.597 -0.645 -11.528 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.186 -1.345 -13.998 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.127 -0.376 -9.574 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.716 -1.080 -12.039 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.685 -0.598 -9.827 1.00 0.41 H new ATOM 62 N LEU A 5 -12.022 -2.044 -14.267 1.00 0.19 N ATOM 63 CA LEU A 5 -13.321 -1.835 -14.901 1.00 0.21 C ATOM 64 C LEU A 5 -14.098 -0.797 -14.095 1.00 0.20 C ATOM 65 O LEU A 5 -14.048 -0.798 -12.862 1.00 0.21 O ATOM 66 CB LEU A 5 -14.131 -3.146 -14.920 1.00 0.23 C ATOM 67 CG LEU A 5 -13.935 -3.971 -16.195 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.723 -5.274 -16.091 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.371 -3.191 -17.435 1.00 0.31 C ATOM 0 H LEU A 5 -12.046 -1.954 -13.251 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.165 -1.497 -15.925 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.847 -3.751 -14.059 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.189 -2.911 -14.809 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.873 -4.194 -16.297 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.581 -5.859 -17.000 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.369 -5.846 -15.233 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.782 -5.050 -15.965 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.219 -3.805 -18.323 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.426 -2.932 -17.349 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.779 -2.280 -17.518 1.00 0.31 H new ATOM 81 N ASN A 6 -14.857 0.054 -14.774 1.00 0.22 N ATOM 82 CA ASN A 6 -15.683 1.052 -14.080 1.00 0.23 C ATOM 83 C ASN A 6 -17.000 0.380 -13.737 1.00 0.22 C ATOM 84 O ASN A 6 -17.653 -0.151 -14.620 1.00 0.26 O ATOM 85 CB ASN A 6 -15.922 2.296 -14.943 1.00 0.28 C ATOM 86 CG ASN A 6 -14.599 2.961 -15.336 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.954 2.569 -16.312 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.200 3.978 -14.583 1.00 1.24 N ATOM 0 H ASN A 6 -14.923 0.079 -15.792 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.171 1.396 -13.182 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.473 2.018 -15.841 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.541 3.007 -14.396 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.332 4.466 -14.803 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.762 4.272 -13.784 1.00 1.24 H new ATOM 95 N ARG A 7 -17.360 0.358 -12.456 1.00 0.23 N ATOM 96 CA ARG A 7 -18.592 -0.301 -12.009 1.00 0.24 C ATOM 97 C ARG A 7 -19.622 0.726 -11.543 1.00 0.25 C ATOM 98 O ARG A 7 -19.308 1.648 -10.792 1.00 0.32 O ATOM 99 CB ARG A 7 -18.274 -1.282 -10.868 1.00 0.28 C ATOM 100 CG ARG A 7 -19.495 -2.129 -10.483 1.00 0.34 C ATOM 101 CD ARG A 7 -19.133 -3.225 -9.474 1.00 0.54 C ATOM 102 NE ARG A 7 -19.174 -2.702 -8.103 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.429 -3.490 -7.053 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.714 -4.589 -6.862 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.400 -3.183 -6.205 1.00 1.71 N ATOM 0 H ARG A 7 -16.818 0.788 -11.706 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.014 -0.850 -12.851 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.458 -1.938 -11.171 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.929 -0.725 -9.997 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.265 -1.485 -10.059 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.918 -2.585 -11.378 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.828 -4.059 -9.571 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.137 -3.612 -9.691 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.003 -1.709 -7.947 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.970 -4.833 -7.515 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.908 -5.191 -6.061 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.958 -2.342 -6.351 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.590 -3.788 -5.406 1.00 1.71 H new ATOM 119 N LYS A 8 -20.854 0.537 -11.992 1.00 0.27 N ATOM 120 CA LYS A 8 -21.972 1.401 -11.634 1.00 0.29 C ATOM 121 C LYS A 8 -23.193 0.523 -11.419 1.00 0.29 C ATOM 122 O LYS A 8 -23.691 -0.102 -12.357 1.00 0.38 O ATOM 123 CB LYS A 8 -22.219 2.423 -12.747 1.00 0.36 C ATOM 124 CG LYS A 8 -23.492 3.250 -12.519 1.00 0.37 C ATOM 125 CD LYS A 8 -24.526 2.980 -13.616 1.00 0.50 C ATOM 126 CE LYS A 8 -25.961 3.151 -13.102 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.888 3.614 -14.177 1.00 1.02 N ATOM 0 H LYS A 8 -21.109 -0.225 -12.620 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.754 1.954 -10.720 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.362 3.093 -12.816 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.294 1.903 -13.702 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.918 3.008 -11.545 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.243 4.311 -12.503 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.356 3.660 -14.451 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.395 1.967 -13.997 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.317 2.203 -12.699 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.969 3.869 -12.282 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.241 4.564 -13.945 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.380 3.645 -15.084 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.690 2.956 -14.252 1.00 1.02 H new ATOM 141 N HIS A 9 -23.665 0.461 -10.178 1.00 0.43 N ATOM 142 CA HIS A 9 -24.826 -0.359 -9.837 1.00 0.52 C ATOM 143 C HIS A 9 -26.131 0.360 -10.198 1.00 0.58 C ATOM 144 O HIS A 9 -26.307 1.545 -9.906 1.00 0.73 O ATOM 145 CB HIS A 9 -24.798 -0.769 -8.341 1.00 0.68 C ATOM 146 CG HIS A 9 -24.799 0.364 -7.343 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.989 0.172 -5.996 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.625 1.706 -7.477 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.947 1.309 -5.343 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.724 2.275 -6.218 1.00 1.75 N ATOM 0 H HIS A 9 -23.262 0.968 -9.390 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.780 -1.273 -10.429 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.663 -1.402 -8.142 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.911 -1.378 -8.168 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.143 -0.737 -5.560 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.442 2.234 -8.401 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.073 1.434 -4.278 1.00 1.69 H new ATOM 158 N GLU A 10 -27.033 -0.376 -10.844 1.00 0.60 N ATOM 159 CA GLU A 10 -28.344 0.139 -11.265 1.00 0.73 C ATOM 160 C GLU A 10 -29.397 -0.292 -10.243 1.00 0.83 C ATOM 161 O GLU A 10 -30.175 0.522 -9.741 1.00 1.00 O ATOM 162 CB GLU A 10 -28.686 -0.412 -12.660 1.00 0.79 C ATOM 163 CG GLU A 10 -29.992 0.176 -13.213 1.00 1.28 C ATOM 164 CD GLU A 10 -29.721 1.426 -14.038 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.077 2.359 -13.521 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.157 1.481 -15.204 1.00 1.72 O ATOM 0 H GLU A 10 -26.879 -1.353 -11.094 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.323 1.228 -11.318 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.870 -0.189 -13.347 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.771 -1.497 -12.609 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.498 -0.568 -13.829 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.664 0.418 -12.389 1.00 1.28 H new ATOM 173 N TRP A 11 -29.387 -1.583 -9.935 1.00 0.82 N ATOM 174 CA TRP A 11 -30.294 -2.190 -8.973 1.00 0.96 C ATOM 175 C TRP A 11 -29.492 -3.184 -8.137 1.00 0.94 C ATOM 176 O TRP A 11 -29.018 -4.205 -8.647 1.00 0.84 O ATOM 177 CB TRP A 11 -31.448 -2.870 -9.723 1.00 1.08 C ATOM 178 CG TRP A 11 -32.397 -3.655 -8.857 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.395 -3.165 -8.063 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.440 -5.086 -8.726 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.032 -4.218 -7.464 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.478 -5.399 -7.847 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.696 -6.127 -9.273 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.787 -6.707 -7.511 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.997 -7.436 -8.943 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.035 -7.727 -8.070 1.00 1.53 C ATOM 0 H TRP A 11 -28.737 -2.247 -10.355 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.732 -1.444 -8.309 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.014 -2.106 -10.256 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.028 -3.539 -10.475 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.640 -2.122 -7.930 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.816 -4.129 -6.818 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.885 -5.913 -9.954 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.595 -6.926 -6.829 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.417 -8.241 -9.370 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.258 -8.755 -7.825 1.00 1.53 H new ATOM 197 N GLU A 12 -29.325 -2.848 -6.866 1.00 1.16 N ATOM 198 CA GLU A 12 -28.563 -3.660 -5.919 1.00 1.26 C ATOM 199 C GLU A 12 -29.319 -3.732 -4.587 1.00 1.56 C ATOM 200 O GLU A 12 -28.791 -3.369 -3.533 1.00 2.03 O ATOM 201 CB GLU A 12 -27.171 -3.035 -5.726 1.00 1.34 C ATOM 202 CG GLU A 12 -26.181 -4.029 -5.120 1.00 1.63 C ATOM 203 CD GLU A 12 -24.804 -3.389 -4.990 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.728 -2.181 -4.684 1.00 2.09 O ATOM 205 OE2 GLU A 12 -23.790 -4.089 -5.178 1.00 2.05 O ATOM 0 H GLU A 12 -29.716 -1.999 -6.457 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.442 -4.673 -6.303 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.793 -2.686 -6.687 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.251 -2.162 -5.079 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.533 -4.353 -4.141 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -26.119 -4.919 -5.746 1.00 1.63 H new ATOM 212 N ALA A 13 -30.563 -4.199 -4.651 1.00 1.77 N ATOM 213 CA ALA A 13 -31.421 -4.328 -3.470 1.00 2.14 C ATOM 214 C ALA A 13 -32.631 -5.205 -3.804 1.00 2.15 C ATOM 215 O ALA A 13 -32.681 -5.821 -4.870 1.00 2.54 O ATOM 216 CB ALA A 13 -31.882 -2.938 -3.016 1.00 2.70 C ATOM 0 H ALA A 13 -31.007 -4.499 -5.519 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.860 -4.797 -2.662 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.520 -3.035 -2.138 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -31.013 -2.330 -2.767 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -32.442 -2.460 -3.820 1.00 2.70 H new ATOM 222 N HIS A 14 -33.605 -5.263 -2.893 1.00 2.38 N ATOM 223 CA HIS A 14 -34.822 -6.068 -3.093 1.00 2.81 C ATOM 224 C HIS A 14 -35.703 -5.472 -4.209 1.00 2.77 C ATOM 225 O HIS A 14 -36.178 -6.189 -5.090 1.00 3.31 O ATOM 226 CB HIS A 14 -35.607 -6.199 -1.768 1.00 3.51 C ATOM 227 CG HIS A 14 -36.289 -4.936 -1.300 1.00 3.99 C ATOM 228 ND1 HIS A 14 -37.616 -4.882 -0.955 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.836 -3.665 -1.137 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.965 -3.668 -0.603 1.00 5.34 C ATOM 231 NE2 HIS A 14 -36.898 -2.892 -0.703 1.00 5.13 N ATOM 0 H HIS A 14 -33.578 -4.762 -2.005 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.524 -7.067 -3.410 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -36.360 -6.978 -1.886 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -34.922 -6.533 -0.989 1.00 3.51 H new ATOM 0 HD1 HIS A 14 -38.249 -5.682 -0.970 1.00 4.73 H new ATOM 0 HD2 HIS A 14 -34.828 -3.320 -1.314 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -38.950 -3.356 -0.287 1.00 5.34 H new ATOM 239 N ASN A 15 -35.909 -4.155 -4.162 1.00 2.64 N ATOM 240 CA ASN A 15 -36.721 -3.446 -5.156 1.00 2.83 C ATOM 241 C ASN A 15 -36.497 -1.940 -5.002 1.00 2.48 C ATOM 242 O ASN A 15 -37.442 -1.169 -4.848 1.00 2.96 O ATOM 243 CB ASN A 15 -38.215 -3.806 -4.987 1.00 3.64 C ATOM 244 CG ASN A 15 -39.061 -3.248 -6.143 1.00 4.19 C ATOM 245 OD1 ASN A 15 -39.979 -2.456 -5.922 1.00 4.25 O ATOM 246 ND2 ASN A 15 -38.771 -3.666 -7.368 1.00 4.99 N ATOM 0 H ASN A 15 -35.520 -3.551 -3.438 1.00 2.64 H new ATOM 0 HA ASN A 15 -36.420 -3.748 -6.159 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -38.327 -4.889 -4.942 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -38.582 -3.408 -4.041 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -39.315 -3.331 -8.163 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -38.004 -4.322 -7.515 1.00 4.99 H new ATOM 253 N LYS A 16 -35.232 -1.535 -5.048 1.00 2.30 N ATOM 254 CA LYS A 16 -34.847 -0.126 -4.923 1.00 2.46 C ATOM 255 C LYS A 16 -33.703 0.172 -5.894 1.00 2.10 C ATOM 256 O LYS A 16 -32.759 -0.617 -6.006 1.00 2.44 O ATOM 257 CB LYS A 16 -34.399 0.183 -3.486 1.00 3.26 C ATOM 258 CG LYS A 16 -35.569 0.162 -2.501 1.00 3.87 C ATOM 259 CD LYS A 16 -35.097 0.482 -1.078 1.00 4.83 C ATOM 260 CE LYS A 16 -36.229 1.057 -0.220 1.00 5.52 C ATOM 261 NZ LYS A 16 -37.337 0.077 -0.044 1.00 6.03 N ATOM 0 H LYS A 16 -34.443 -2.170 -5.173 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.707 0.500 -5.161 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -33.651 -0.546 -3.175 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -33.920 1.162 -3.459 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -36.322 0.887 -2.810 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.045 -0.818 -2.518 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -34.711 -0.424 -0.611 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -34.274 1.195 -1.120 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -35.837 1.343 0.756 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -36.615 1.963 -0.686 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -37.645 0.076 0.949 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -38.136 0.343 -0.654 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -37.004 -0.873 -0.304 1.00 6.03 H new ATOM 275 N LYS A 17 -33.784 1.308 -6.589 1.00 1.88 N ATOM 276 CA LYS A 17 -32.746 1.708 -7.546 1.00 1.62 C ATOM 277 C LYS A 17 -31.525 2.258 -6.800 1.00 1.62 C ATOM 278 O LYS A 17 -31.626 2.698 -5.653 1.00 2.06 O ATOM 279 CB LYS A 17 -33.295 2.754 -8.531 1.00 1.84 C ATOM 280 CG LYS A 17 -32.713 2.573 -9.935 1.00 2.30 C ATOM 281 CD LYS A 17 -33.727 2.952 -11.016 1.00 2.75 C ATOM 282 CE LYS A 17 -34.077 4.439 -10.975 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.894 5.294 -11.263 1.00 3.75 N ATOM 0 H LYS A 17 -34.557 1.969 -6.508 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.440 0.831 -8.116 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -34.381 2.677 -8.575 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -33.061 3.754 -8.167 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -31.819 3.188 -10.041 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -32.405 1.536 -10.071 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -33.322 2.701 -11.997 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -34.634 2.362 -10.885 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -34.862 4.648 -11.702 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -34.477 4.691 -9.993 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.206 6.269 -11.444 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -32.250 5.282 -10.446 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -32.397 4.929 -12.101 1.00 3.75 H new ATOM 297 N ALA A 18 -30.372 2.213 -7.457 1.00 1.43 N ATOM 298 CA ALA A 18 -29.108 2.683 -6.878 1.00 1.61 C ATOM 299 C ALA A 18 -28.847 4.153 -7.227 1.00 1.86 C ATOM 300 O ALA A 18 -29.502 4.725 -8.104 1.00 2.10 O ATOM 301 CB ALA A 18 -27.965 1.807 -7.388 1.00 1.58 C ATOM 0 H ALA A 18 -30.281 1.851 -8.406 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.173 2.609 -5.792 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.024 2.152 -6.961 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.140 0.772 -7.093 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.915 1.871 -8.475 1.00 1.58 H new ATOM 307 N SER A 19 -27.882 4.753 -6.529 1.00 2.24 N ATOM 308 CA SER A 19 -27.510 6.164 -6.746 1.00 2.71 C ATOM 309 C SER A 19 -26.265 6.575 -5.927 1.00 2.85 C ATOM 310 O SER A 19 -25.556 7.511 -6.305 1.00 3.33 O ATOM 311 CB SER A 19 -28.698 7.092 -6.401 1.00 3.28 C ATOM 312 OG SER A 19 -29.523 6.538 -5.373 1.00 3.62 O ATOM 0 H SER A 19 -27.338 4.286 -5.804 1.00 2.24 H new ATOM 0 HA SER A 19 -27.258 6.270 -7.801 1.00 2.71 H new ATOM 0 HB2 SER A 19 -28.320 8.063 -6.080 1.00 3.28 H new ATOM 0 HB3 SER A 19 -29.297 7.263 -7.295 1.00 3.28 H new ATOM 0 HG SER A 19 -30.262 7.152 -5.180 1.00 3.62 H new ATOM 318 N SER A 20 -26.017 5.903 -4.797 1.00 2.92 N ATOM 319 CA SER A 20 -24.886 6.219 -3.910 1.00 3.46 C ATOM 320 C SER A 20 -23.515 6.009 -4.580 1.00 3.36 C ATOM 321 O SER A 20 -22.652 6.888 -4.518 1.00 3.74 O ATOM 322 CB SER A 20 -24.974 5.365 -2.635 1.00 4.13 C ATOM 323 OG SER A 20 -26.330 5.167 -2.242 1.00 4.31 O ATOM 0 H SER A 20 -26.592 5.126 -4.470 1.00 2.92 H new ATOM 0 HA SER A 20 -24.961 7.279 -3.667 1.00 3.46 H new ATOM 0 HB2 SER A 20 -24.497 4.400 -2.807 1.00 4.13 H new ATOM 0 HB3 SER A 20 -24.426 5.852 -1.829 1.00 4.13 H new ATOM 0 HG SER A 20 -26.674 4.348 -2.656 1.00 4.31 H new ATOM 329 N ARG A 21 -23.305 4.841 -5.196 1.00 3.28 N ATOM 330 CA ARG A 21 -22.024 4.518 -5.843 1.00 3.37 C ATOM 331 C ARG A 21 -22.181 4.455 -7.362 1.00 2.30 C ATOM 332 O ARG A 21 -22.183 3.374 -7.959 1.00 2.78 O ATOM 333 CB ARG A 21 -21.486 3.183 -5.301 1.00 4.44 C ATOM 334 CG ARG A 21 -21.457 3.162 -3.768 1.00 5.18 C ATOM 335 CD ARG A 21 -20.086 2.735 -3.232 1.00 5.89 C ATOM 336 NE ARG A 21 -19.059 3.749 -3.526 1.00 6.25 N ATOM 337 CZ ARG A 21 -19.047 4.935 -2.918 1.00 6.92 C ATOM 338 NH1 ARG A 21 -19.724 5.953 -3.437 1.00 7.43 N ATOM 339 NH2 ARG A 21 -18.358 5.089 -1.799 1.00 7.30 N ATOM 0 H ARG A 21 -24.005 4.102 -5.261 1.00 3.28 H new ATOM 0 HA ARG A 21 -21.309 5.308 -5.612 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -22.109 2.366 -5.664 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -20.481 3.013 -5.686 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -21.705 4.152 -3.386 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -22.221 2.478 -3.399 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -20.147 2.577 -2.155 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -19.799 1.783 -3.678 1.00 5.89 H new ATOM 0 HE ARG A 21 -18.337 3.538 -4.214 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -20.253 5.827 -4.300 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -19.715 6.861 -2.972 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -17.840 4.303 -1.407 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -18.345 5.994 -1.329 1.00 7.30 H new ATOM 353 N SER A 22 -22.311 5.622 -7.985 1.00 1.32 N ATOM 354 CA SER A 22 -22.468 5.719 -9.435 1.00 0.74 C ATOM 355 C SER A 22 -21.107 5.892 -10.123 1.00 0.68 C ATOM 356 O SER A 22 -20.487 6.955 -10.034 1.00 1.69 O ATOM 357 CB SER A 22 -23.393 6.894 -9.788 1.00 1.62 C ATOM 358 OG SER A 22 -24.486 6.973 -8.878 1.00 1.86 O ATOM 0 H SER A 22 -22.311 6.522 -7.505 1.00 1.32 H new ATOM 0 HA SER A 22 -22.916 4.792 -9.794 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.828 7.826 -9.766 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.769 6.773 -10.804 1.00 1.62 H new ATOM 0 HG SER A 22 -24.168 7.308 -8.014 1.00 1.86 H new ATOM 364 N TRP A 23 -20.671 4.839 -10.817 1.00 0.69 N ATOM 365 CA TRP A 23 -19.407 4.815 -11.574 1.00 0.41 C ATOM 366 C TRP A 23 -18.162 4.954 -10.681 1.00 0.40 C ATOM 367 O TRP A 23 -17.745 6.060 -10.332 1.00 0.55 O ATOM 368 CB TRP A 23 -19.415 5.891 -12.685 1.00 0.43 C ATOM 369 CG TRP A 23 -20.313 5.518 -13.840 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.425 6.183 -14.285 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.173 4.360 -14.683 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.958 5.490 -15.343 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.222 4.373 -15.608 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.258 3.317 -14.730 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.370 3.373 -16.563 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.390 2.321 -15.672 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.441 2.343 -16.584 1.00 0.31 C ATOM 0 H TRP A 23 -21.190 3.963 -10.873 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.341 3.830 -12.036 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.744 6.841 -12.265 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.399 6.039 -13.051 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.817 7.100 -13.872 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.791 5.772 -15.860 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.440 3.287 -14.026 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.186 3.398 -17.270 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.671 1.515 -15.703 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.534 1.552 -17.314 1.00 0.31 H new ATOM 388 N HIS A 24 -17.558 3.809 -10.358 1.00 0.37 N ATOM 389 CA HIS A 24 -16.333 3.740 -9.548 1.00 0.45 C ATOM 390 C HIS A 24 -15.357 2.759 -10.205 1.00 0.36 C ATOM 391 O HIS A 24 -15.740 1.647 -10.580 1.00 0.34 O ATOM 392 CB HIS A 24 -16.624 3.315 -8.088 1.00 0.61 C ATOM 393 CG HIS A 24 -17.650 2.226 -7.934 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.995 2.467 -7.839 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.527 0.879 -7.844 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.666 1.346 -7.702 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.797 0.346 -7.700 1.00 2.74 N ATOM 0 H HIS A 24 -17.905 2.896 -10.651 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.892 4.736 -9.506 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.692 2.983 -7.630 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.959 4.190 -7.531 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.419 3.394 -7.870 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.603 0.321 -7.878 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.738 1.255 -7.608 1.00 2.98 H new ATOM 405 N ASN A 25 -14.098 3.177 -10.345 1.00 0.37 N ATOM 406 CA ASN A 25 -13.053 2.344 -10.957 1.00 0.35 C ATOM 407 C ASN A 25 -12.642 1.241 -9.977 1.00 0.34 C ATOM 408 O ASN A 25 -12.023 1.515 -8.945 1.00 0.55 O ATOM 409 CB ASN A 25 -11.843 3.222 -11.329 1.00 0.44 C ATOM 410 CG ASN A 25 -10.797 2.432 -12.131 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.108 1.417 -12.755 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.559 2.906 -12.127 1.00 1.49 N ATOM 0 H ASN A 25 -13.772 4.095 -10.041 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.435 1.879 -11.866 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.180 4.078 -11.913 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.385 3.616 -10.421 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.828 2.427 -12.653 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.338 3.750 -11.598 1.00 1.49 H new ATOM 419 N VAL A 26 -13.010 0.003 -10.296 1.00 0.22 N ATOM 420 CA VAL A 26 -12.708 -1.151 -9.450 1.00 0.21 C ATOM 421 C VAL A 26 -11.917 -2.196 -10.236 1.00 0.18 C ATOM 422 O VAL A 26 -11.944 -2.220 -11.468 1.00 0.23 O ATOM 423 CB VAL A 26 -14.029 -1.735 -8.908 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.716 -2.644 -9.931 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.806 -2.493 -7.604 1.00 0.31 C ATOM 0 H VAL A 26 -13.525 -0.229 -11.145 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.089 -0.841 -8.608 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.687 -0.888 -8.713 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.642 -3.033 -9.508 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.941 -2.073 -10.832 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.055 -3.473 -10.182 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.756 -2.892 -7.248 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.109 -3.313 -7.775 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.394 -1.816 -6.856 1.00 0.31 H new ATOM 435 N TYR A 27 -11.221 -3.066 -9.514 1.00 0.16 N ATOM 436 CA TYR A 27 -10.419 -4.133 -10.120 1.00 0.16 C ATOM 437 C TYR A 27 -11.190 -5.450 -10.045 1.00 0.19 C ATOM 438 O TYR A 27 -11.442 -5.971 -8.957 1.00 0.34 O ATOM 439 CB TYR A 27 -9.075 -4.241 -9.391 1.00 0.17 C ATOM 440 CG TYR A 27 -8.025 -4.986 -10.182 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.903 -6.358 -10.047 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.184 -4.304 -11.047 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.945 -7.044 -10.769 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.223 -4.992 -11.767 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.097 -6.338 -11.633 1.00 0.29 C ATOM 446 OH TYR A 27 -5.152 -7.049 -12.340 1.00 0.37 O ATOM 0 H TYR A 27 -11.194 -3.056 -8.494 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.224 -3.905 -11.168 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.709 -3.239 -9.168 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.227 -4.745 -8.436 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.558 -6.894 -9.376 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.279 -3.234 -11.159 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.851 -8.115 -10.668 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.570 -4.456 -12.439 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.633 -6.435 -12.901 1.00 0.37 H new ATOM 456 N CYS A 28 -11.581 -5.974 -11.206 1.00 0.16 N ATOM 457 CA CYS A 28 -12.347 -7.223 -11.293 1.00 0.19 C ATOM 458 C CYS A 28 -11.432 -8.411 -11.609 1.00 0.19 C ATOM 459 O CYS A 28 -10.498 -8.297 -12.407 1.00 0.23 O ATOM 460 CB CYS A 28 -13.429 -7.084 -12.373 1.00 0.23 C ATOM 461 SG CYS A 28 -14.550 -5.711 -12.047 1.00 0.34 S ATOM 0 H CYS A 28 -11.378 -5.549 -12.111 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.817 -7.412 -10.328 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.954 -6.939 -13.343 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.001 -8.010 -12.433 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.220 -5.947 -10.958 1.00 0.34 H new ATOM 467 N VAL A 29 -11.717 -9.546 -10.972 1.00 0.21 N ATOM 468 CA VAL A 29 -10.948 -10.784 -11.154 1.00 0.24 C ATOM 469 C VAL A 29 -11.911 -11.963 -11.286 1.00 0.26 C ATOM 470 O VAL A 29 -12.625 -12.285 -10.338 1.00 0.38 O ATOM 471 CB VAL A 29 -10.014 -11.008 -9.948 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.318 -12.378 -10.031 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.984 -9.882 -9.844 1.00 0.33 C ATOM 0 H VAL A 29 -12.490 -9.637 -10.312 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.344 -10.702 -12.058 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.625 -10.998 -9.045 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.666 -12.508 -9.167 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.069 -13.168 -10.040 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.725 -12.430 -10.944 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.335 -10.060 -8.986 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.383 -9.853 -10.753 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.498 -8.929 -9.718 1.00 0.33 H new ATOM 483 N ILE A 30 -11.919 -12.615 -12.450 1.00 0.28 N ATOM 484 CA ILE A 30 -12.792 -13.774 -12.689 1.00 0.32 C ATOM 485 C ILE A 30 -12.082 -15.051 -12.232 1.00 0.35 C ATOM 486 O ILE A 30 -10.927 -15.289 -12.589 1.00 0.44 O ATOM 487 CB ILE A 30 -13.167 -13.883 -14.179 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.761 -12.563 -14.681 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.160 -15.026 -14.405 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.155 -12.638 -16.156 1.00 0.57 C ATOM 0 H ILE A 30 -11.332 -12.363 -13.245 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.711 -13.642 -12.118 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.259 -14.096 -14.743 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.637 -12.309 -14.084 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.036 -11.762 -14.540 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.412 -15.085 -15.464 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.711 -15.966 -14.085 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.065 -14.841 -13.827 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.572 -11.681 -16.470 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.274 -12.865 -16.757 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.900 -13.421 -16.294 1.00 0.57 H new ATOM 502 N ASN A 31 -12.777 -15.865 -11.440 1.00 0.46 N ATOM 503 CA ASN A 31 -12.223 -17.116 -10.926 1.00 0.58 C ATOM 504 C ASN A 31 -13.322 -18.178 -10.887 1.00 0.71 C ATOM 505 O ASN A 31 -14.156 -18.196 -9.979 1.00 1.20 O ATOM 506 CB ASN A 31 -11.631 -16.886 -9.521 1.00 0.73 C ATOM 507 CG ASN A 31 -10.701 -18.033 -9.118 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.092 -18.931 -8.374 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.468 -18.002 -9.603 1.00 1.47 N ATOM 0 H ASN A 31 -13.733 -15.678 -11.138 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.424 -17.463 -11.581 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.081 -15.945 -9.505 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.438 -16.796 -8.794 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.806 -18.740 -9.362 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.181 -17.240 -10.217 1.00 1.47 H new ATOM 516 N ASN A 32 -13.322 -19.058 -11.889 1.00 0.85 N ATOM 517 CA ASN A 32 -14.310 -20.142 -12.003 1.00 1.00 C ATOM 518 C ASN A 32 -15.723 -19.571 -12.231 1.00 1.00 C ATOM 519 O ASN A 32 -15.952 -18.861 -13.212 1.00 1.97 O ATOM 520 CB ASN A 32 -14.243 -21.044 -10.751 1.00 1.24 C ATOM 521 CG ASN A 32 -14.792 -22.448 -11.036 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.641 -22.637 -11.908 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.309 -23.431 -10.295 1.00 2.52 N ATOM 0 H ASN A 32 -12.639 -19.043 -12.646 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.073 -20.756 -12.872 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.210 -21.119 -10.411 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.813 -20.587 -9.942 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.639 -24.386 -10.436 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.606 -23.235 -9.582 1.00 2.52 H new ATOM 530 N GLN A 33 -16.662 -19.877 -11.333 1.00 0.75 N ATOM 531 CA GLN A 33 -18.046 -19.398 -11.449 1.00 0.67 C ATOM 532 C GLN A 33 -18.284 -18.185 -10.537 1.00 0.56 C ATOM 533 O GLN A 33 -19.446 -17.875 -10.196 1.00 0.71 O ATOM 534 CB GLN A 33 -19.013 -20.539 -11.087 1.00 0.83 C ATOM 535 CG GLN A 33 -20.396 -20.362 -11.730 1.00 1.46 C ATOM 536 CD GLN A 33 -20.320 -20.516 -13.248 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.834 -21.526 -13.751 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.809 -19.523 -13.980 1.00 2.67 N ATOM 0 H GLN A 33 -16.490 -20.458 -10.512 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.226 -19.083 -12.477 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.585 -21.489 -11.408 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.123 -20.588 -10.004 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -21.088 -21.098 -11.321 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.793 -19.378 -11.481 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -21.204 -18.700 -13.525 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.789 -19.582 -14.998 1.00 2.67 H new ATOM 547 N GLU A 34 -17.184 -17.504 -10.147 1.00 0.53 N ATOM 548 CA GLU A 34 -17.255 -16.327 -9.277 1.00 0.49 C ATOM 549 C GLU A 34 -16.289 -15.248 -9.762 1.00 0.45 C ATOM 550 O GLU A 34 -15.359 -15.522 -10.525 1.00 0.64 O ATOM 551 CB GLU A 34 -16.895 -16.715 -7.836 1.00 0.61 C ATOM 552 CG GLU A 34 -18.021 -17.500 -7.155 1.00 1.25 C ATOM 553 CD GLU A 34 -17.449 -18.367 -6.047 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.963 -17.818 -5.039 1.00 1.79 O ATOM 555 OE2 GLU A 34 -17.505 -19.606 -6.170 1.00 1.89 O ATOM 0 H GLU A 34 -16.236 -17.757 -10.427 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.273 -15.938 -9.307 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.985 -17.315 -7.839 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.681 -15.814 -7.261 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.760 -16.811 -6.745 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.536 -18.122 -7.887 1.00 1.25 H new ATOM 562 N MET A 35 -16.507 -14.023 -9.293 1.00 0.36 N ATOM 563 CA MET A 35 -15.660 -12.884 -9.632 1.00 0.35 C ATOM 564 C MET A 35 -15.407 -12.061 -8.367 1.00 0.32 C ATOM 565 O MET A 35 -16.314 -11.872 -7.549 1.00 0.42 O ATOM 566 CB MET A 35 -16.306 -12.026 -10.733 1.00 0.41 C ATOM 567 CG MET A 35 -17.575 -11.313 -10.256 1.00 0.43 C ATOM 568 SD MET A 35 -18.395 -10.408 -11.585 1.00 0.60 S ATOM 569 CE MET A 35 -17.170 -9.144 -11.969 1.00 1.25 C ATOM 0 H MET A 35 -17.278 -13.792 -8.666 1.00 0.36 H new ATOM 0 HA MET A 35 -14.708 -13.243 -10.023 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.586 -11.285 -11.080 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.548 -12.659 -11.586 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.266 -12.046 -9.839 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.320 -10.622 -9.453 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.675 -8.235 -12.297 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.578 -8.929 -11.080 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.515 -9.502 -12.763 1.00 1.25 H new ATOM 579 N GLY A 36 -14.173 -11.598 -8.202 1.00 0.27 N ATOM 580 CA GLY A 36 -13.774 -10.813 -7.031 1.00 0.29 C ATOM 581 C GLY A 36 -13.607 -9.335 -7.377 1.00 0.25 C ATOM 582 O GLY A 36 -12.996 -8.993 -8.394 1.00 0.28 O ATOM 0 H GLY A 36 -13.420 -11.754 -8.872 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.523 -10.922 -6.247 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.837 -11.202 -6.633 1.00 0.29 H new ATOM 586 N PHE A 37 -14.137 -8.466 -6.512 1.00 0.24 N ATOM 587 CA PHE A 37 -14.046 -7.010 -6.685 1.00 0.25 C ATOM 588 C PHE A 37 -13.002 -6.455 -5.714 1.00 0.25 C ATOM 589 O PHE A 37 -13.256 -6.351 -4.512 1.00 0.40 O ATOM 590 CB PHE A 37 -15.408 -6.354 -6.423 1.00 0.30 C ATOM 591 CG PHE A 37 -16.406 -6.611 -7.525 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.254 -5.996 -8.758 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.479 -7.461 -7.310 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.169 -6.232 -9.769 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.393 -7.697 -8.322 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.238 -7.082 -9.550 1.00 0.33 C ATOM 0 H PHE A 37 -14.641 -8.750 -5.672 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.749 -6.787 -7.710 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.810 -6.728 -5.481 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.271 -5.279 -6.307 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.420 -5.332 -8.930 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.602 -7.941 -6.350 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.048 -5.752 -10.729 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.227 -8.362 -8.152 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.952 -7.265 -10.339 1.00 0.33 H new ATOM 606 N TYR A 38 -11.829 -6.121 -6.245 1.00 0.20 N ATOM 607 CA TYR A 38 -10.716 -5.594 -5.446 1.00 0.21 C ATOM 608 C TYR A 38 -10.400 -4.146 -5.830 1.00 0.21 C ATOM 609 O TYR A 38 -11.009 -3.578 -6.738 1.00 0.23 O ATOM 610 CB TYR A 38 -9.480 -6.478 -5.656 1.00 0.23 C ATOM 611 CG TYR A 38 -9.703 -7.910 -5.217 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.708 -8.240 -3.871 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.901 -8.895 -6.168 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.910 -9.553 -3.481 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.104 -10.206 -5.778 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.115 -10.518 -4.396 1.00 0.44 C ATOM 617 OH TYR A 38 -10.305 -11.837 -4.050 1.00 0.55 O ATOM 0 H TYR A 38 -11.619 -6.206 -7.239 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.003 -5.606 -4.394 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.204 -6.465 -6.710 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.640 -6.059 -5.101 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.554 -7.473 -3.126 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -9.897 -8.639 -7.217 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.903 -9.805 -2.431 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.252 -10.981 -6.516 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.437 -12.372 -4.860 1.00 0.55 H new ATOM 627 N LYS A 39 -9.436 -3.552 -5.123 1.00 0.25 N ATOM 628 CA LYS A 39 -9.017 -2.165 -5.366 1.00 0.29 C ATOM 629 C LYS A 39 -8.048 -2.085 -6.552 1.00 0.28 C ATOM 630 O LYS A 39 -8.120 -1.154 -7.354 1.00 0.33 O ATOM 631 CB LYS A 39 -8.360 -1.593 -4.103 1.00 0.36 C ATOM 632 CG LYS A 39 -8.558 -0.077 -4.015 1.00 0.70 C ATOM 633 CD LYS A 39 -8.291 0.439 -2.601 1.00 1.15 C ATOM 634 CE LYS A 39 -8.653 1.922 -2.465 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.970 2.753 -3.498 1.00 2.51 N ATOM 0 H LYS A 39 -8.925 -4.013 -4.370 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.899 -1.574 -5.611 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.786 -2.070 -3.220 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.295 -1.824 -4.107 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.889 0.420 -4.718 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.576 0.176 -4.310 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.869 -0.145 -1.885 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.239 0.296 -2.353 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -9.732 2.043 -2.556 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.375 2.275 -1.472 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.100 3.760 -3.275 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.954 2.529 -3.508 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.378 2.550 -4.433 1.00 2.51 H new ATOM 649 N ASP A 40 -7.145 -3.061 -6.646 1.00 0.28 N ATOM 650 CA ASP A 40 -6.145 -3.127 -7.719 1.00 0.32 C ATOM 651 C ASP A 40 -5.531 -4.531 -7.774 1.00 0.33 C ATOM 652 O ASP A 40 -5.955 -5.435 -7.042 1.00 0.32 O ATOM 653 CB ASP A 40 -5.047 -2.054 -7.507 1.00 0.38 C ATOM 654 CG ASP A 40 -4.029 -2.462 -6.435 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.443 -2.917 -5.348 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.813 -2.338 -6.686 1.00 0.94 O ATOM 0 H ASP A 40 -7.084 -3.831 -5.980 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.635 -2.923 -8.671 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.528 -1.879 -8.449 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.514 -1.112 -7.220 1.00 0.38 H new ATOM 661 N ALA A 41 -4.524 -4.698 -8.632 1.00 0.40 N ATOM 662 CA ALA A 41 -3.821 -5.979 -8.791 1.00 0.45 C ATOM 663 C ALA A 41 -3.175 -6.426 -7.470 1.00 0.45 C ATOM 664 O ALA A 41 -3.166 -7.617 -7.150 1.00 0.47 O ATOM 665 CB ALA A 41 -2.747 -5.854 -9.877 1.00 0.55 C ATOM 0 H ALA A 41 -4.171 -3.955 -9.235 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.552 -6.732 -9.086 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.230 -6.807 -9.989 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.216 -5.582 -10.823 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.030 -5.084 -9.593 1.00 0.55 H new ATOM 671 N LYS A 42 -2.651 -5.467 -6.697 1.00 0.46 N ATOM 672 CA LYS A 42 -2.020 -5.767 -5.404 1.00 0.48 C ATOM 673 C LYS A 42 -3.070 -6.246 -4.397 1.00 0.43 C ATOM 674 O LYS A 42 -2.871 -7.256 -3.721 1.00 0.47 O ATOM 675 CB LYS A 42 -1.286 -4.531 -4.865 1.00 0.54 C ATOM 676 CG LYS A 42 -0.233 -4.032 -5.858 1.00 0.77 C ATOM 677 CD LYS A 42 0.749 -3.051 -5.205 1.00 1.12 C ATOM 678 CE LYS A 42 0.029 -1.941 -4.424 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.868 -1.133 -5.299 1.00 2.76 N ATOM 0 H LYS A 42 -2.651 -4.477 -6.943 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.291 -6.564 -5.551 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.005 -3.737 -4.665 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.808 -4.774 -3.916 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.317 -4.882 -6.261 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.728 -3.545 -6.698 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.410 -3.596 -4.532 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.377 -2.602 -5.975 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.555 -2.385 -3.618 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.767 -1.287 -3.960 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.106 -0.240 -4.822 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.384 -0.928 -6.197 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.740 -1.667 -5.490 1.00 2.76 H new ATOM 693 N SER A 43 -4.197 -5.531 -4.314 1.00 0.38 N ATOM 694 CA SER A 43 -5.289 -5.896 -3.403 1.00 0.38 C ATOM 695 C SER A 43 -5.883 -7.266 -3.775 1.00 0.39 C ATOM 696 O SER A 43 -6.300 -8.026 -2.900 1.00 0.45 O ATOM 697 CB SER A 43 -6.378 -4.819 -3.437 1.00 0.37 C ATOM 698 OG SER A 43 -5.815 -3.530 -3.231 1.00 1.04 O ATOM 0 H SER A 43 -4.378 -4.694 -4.868 1.00 0.38 H new ATOM 0 HA SER A 43 -4.886 -5.966 -2.393 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.894 -4.847 -4.396 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.123 -5.023 -2.668 1.00 0.37 H new ATOM 0 HG SER A 43 -5.467 -3.185 -4.080 1.00 1.04 H new ATOM 704 N ALA A 44 -5.908 -7.570 -5.076 1.00 0.37 N ATOM 705 CA ALA A 44 -6.434 -8.840 -5.583 1.00 0.43 C ATOM 706 C ALA A 44 -5.479 -9.994 -5.267 1.00 0.51 C ATOM 707 O ALA A 44 -5.903 -11.050 -4.802 1.00 0.59 O ATOM 708 CB ALA A 44 -6.655 -8.742 -7.096 1.00 0.43 C ATOM 0 H ALA A 44 -5.565 -6.944 -5.805 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.385 -9.041 -5.090 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.046 -9.689 -7.469 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.368 -7.946 -7.309 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.708 -8.522 -7.589 1.00 0.43 H new ATOM 714 N ALA A 45 -4.187 -9.780 -5.530 1.00 0.54 N ATOM 715 CA ALA A 45 -3.150 -10.792 -5.286 1.00 0.64 C ATOM 716 C ALA A 45 -3.006 -11.084 -3.787 1.00 0.68 C ATOM 717 O ALA A 45 -3.026 -12.242 -3.366 1.00 0.76 O ATOM 718 CB ALA A 45 -1.814 -10.314 -5.858 1.00 0.69 C ATOM 0 H ALA A 45 -3.829 -8.906 -5.916 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.448 -11.715 -5.784 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.049 -11.068 -5.674 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.914 -10.153 -6.931 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.525 -9.380 -5.376 1.00 0.69 H new ATOM 724 N SER A 46 -2.868 -10.023 -2.987 1.00 0.65 N ATOM 725 CA SER A 46 -2.726 -10.150 -1.528 1.00 0.73 C ATOM 726 C SER A 46 -4.034 -10.650 -0.886 1.00 0.74 C ATOM 727 O SER A 46 -4.004 -11.420 0.075 1.00 0.84 O ATOM 728 CB SER A 46 -2.320 -8.798 -0.926 1.00 0.75 C ATOM 729 OG SER A 46 -1.180 -8.272 -1.602 1.00 1.21 O ATOM 0 H SER A 46 -2.851 -9.061 -3.324 1.00 0.65 H new ATOM 0 HA SER A 46 -1.948 -10.884 -1.319 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.150 -8.096 -1.001 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.098 -8.917 0.134 1.00 0.75 H new ATOM 0 HG SER A 46 -1.466 -7.818 -2.422 1.00 1.21 H new ATOM 735 N GLY A 47 -5.173 -10.215 -1.436 1.00 0.70 N ATOM 736 CA GLY A 47 -6.495 -10.619 -0.943 1.00 0.74 C ATOM 737 C GLY A 47 -7.014 -9.652 0.120 1.00 0.75 C ATOM 738 O GLY A 47 -7.294 -10.050 1.253 1.00 0.88 O ATOM 0 H GLY A 47 -5.205 -9.577 -2.231 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.198 -10.659 -1.775 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.438 -11.624 -0.525 1.00 0.74 H new ATOM 742 N ILE A 48 -7.146 -8.382 -0.262 1.00 0.67 N ATOM 743 CA ILE A 48 -7.640 -7.327 0.632 1.00 0.72 C ATOM 744 C ILE A 48 -9.092 -6.996 0.267 1.00 0.75 C ATOM 745 O ILE A 48 -9.400 -6.729 -0.895 1.00 0.75 O ATOM 746 CB ILE A 48 -6.753 -6.076 0.512 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.277 -6.447 0.716 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.170 -5.002 1.524 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.371 -5.225 0.578 1.00 0.97 C ATOM 0 H ILE A 48 -6.914 -8.052 -1.199 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.602 -7.674 1.665 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.883 -5.668 -0.490 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.145 -6.890 1.703 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.986 -7.202 -0.014 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.525 -4.130 1.415 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.205 -4.713 1.342 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.076 -5.399 2.535 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.333 -5.523 0.728 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.485 -4.798 -0.418 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.647 -4.481 1.326 1.00 0.97 H new ATOM 761 N PRO A 49 -10.015 -7.031 1.253 1.00 0.84 N ATOM 762 CA PRO A 49 -11.444 -6.753 1.018 1.00 0.93 C ATOM 763 C PRO A 49 -11.736 -5.268 0.751 1.00 0.93 C ATOM 764 O PRO A 49 -11.788 -4.455 1.675 1.00 1.08 O ATOM 765 CB PRO A 49 -12.127 -7.237 2.298 1.00 1.07 C ATOM 766 CG PRO A 49 -11.076 -7.165 3.359 1.00 1.06 C ATOM 767 CD PRO A 49 -9.747 -7.362 2.669 1.00 0.92 C ATOM 0 HA PRO A 49 -11.806 -7.256 0.121 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.982 -6.609 2.549 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.501 -8.254 2.183 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.108 -6.203 3.870 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.237 -7.933 4.115 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.980 -6.712 3.091 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.391 -8.387 2.777 1.00 0.92 H new ATOM 775 N TYR A 50 -11.939 -4.935 -0.526 1.00 0.87 N ATOM 776 CA TYR A 50 -12.246 -3.561 -0.949 1.00 0.91 C ATOM 777 C TYR A 50 -13.729 -3.245 -0.695 1.00 1.12 C ATOM 778 O TYR A 50 -14.100 -2.091 -0.459 1.00 1.91 O ATOM 779 CB TYR A 50 -11.911 -3.396 -2.444 1.00 0.92 C ATOM 780 CG TYR A 50 -12.485 -2.137 -3.057 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.843 -0.921 -2.873 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.644 -2.194 -3.815 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.357 0.230 -3.443 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.157 -1.039 -4.382 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.556 0.160 -4.165 1.00 1.17 C ATOM 786 OH TYR A 50 -14.019 1.312 -4.763 1.00 1.34 O ATOM 0 H TYR A 50 -11.896 -5.604 -1.295 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.642 -2.863 -0.369 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.828 -3.389 -2.567 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.288 -4.261 -2.990 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.940 -0.873 -2.283 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.147 -3.138 -3.963 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.840 1.172 -3.333 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.041 -1.092 -5.001 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.858 1.123 -5.232 1.00 1.34 H new ATOM 796 N HIS A 51 -14.563 -4.283 -0.743 1.00 1.28 N ATOM 797 CA HIS A 51 -16.009 -4.162 -0.523 1.00 1.53 C ATOM 798 C HIS A 51 -16.442 -5.133 0.580 1.00 1.61 C ATOM 799 O HIS A 51 -15.681 -6.021 0.974 1.00 2.07 O ATOM 800 CB HIS A 51 -16.761 -4.482 -1.835 1.00 2.01 C ATOM 801 CG HIS A 51 -17.567 -3.335 -2.366 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.907 -3.423 -2.645 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.226 -2.061 -2.685 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.366 -2.288 -3.108 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.363 -1.425 -3.147 1.00 3.74 N ATOM 0 H HIS A 51 -14.256 -5.236 -0.936 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.247 -3.144 -0.216 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.038 -4.787 -2.592 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.423 -5.331 -1.666 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.471 -4.262 -2.510 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -16.243 -1.623 -2.594 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.385 -2.090 -3.406 1.00 3.87 H new ATOM 813 N SER A 52 -17.677 -4.973 1.048 1.00 1.60 N ATOM 814 CA SER A 52 -18.246 -5.844 2.087 1.00 1.96 C ATOM 815 C SER A 52 -18.462 -7.253 1.512 1.00 1.85 C ATOM 816 O SER A 52 -18.205 -8.255 2.178 1.00 2.45 O ATOM 817 CB SER A 52 -19.566 -5.255 2.601 1.00 2.44 C ATOM 818 OG SER A 52 -19.465 -3.839 2.741 1.00 2.65 O ATOM 0 H SER A 52 -18.312 -4.243 0.724 1.00 1.60 H new ATOM 0 HA SER A 52 -17.554 -5.911 2.927 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.373 -5.501 1.911 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.821 -5.703 3.561 1.00 2.44 H new ATOM 0 HG SER A 52 -20.317 -3.481 3.068 1.00 2.65 H new ATOM 824 N GLU A 53 -18.890 -7.296 0.247 1.00 1.45 N ATOM 825 CA GLU A 53 -19.108 -8.538 -0.497 1.00 1.37 C ATOM 826 C GLU A 53 -18.064 -8.577 -1.617 1.00 1.08 C ATOM 827 O GLU A 53 -18.224 -7.915 -2.647 1.00 1.24 O ATOM 828 CB GLU A 53 -20.539 -8.606 -1.085 1.00 1.73 C ATOM 829 CG GLU A 53 -21.391 -7.363 -0.769 1.00 2.39 C ATOM 830 CD GLU A 53 -20.955 -6.171 -1.618 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.348 -6.097 -2.798 1.00 3.46 O ATOM 832 OE2 GLU A 53 -20.219 -5.304 -1.101 1.00 3.23 O ATOM 0 H GLU A 53 -19.097 -6.457 -0.295 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.005 -9.396 0.167 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.474 -8.727 -2.166 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.042 -9.491 -0.695 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.443 -7.581 -0.955 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.299 -7.114 0.288 1.00 2.39 H new ATOM 839 N VAL A 54 -16.976 -9.314 -1.391 1.00 0.84 N ATOM 840 CA VAL A 54 -15.876 -9.398 -2.364 1.00 0.66 C ATOM 841 C VAL A 54 -16.132 -10.459 -3.448 1.00 0.55 C ATOM 842 O VAL A 54 -15.973 -10.162 -4.631 1.00 0.49 O ATOM 843 CB VAL A 54 -14.532 -9.665 -1.649 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.353 -9.343 -2.572 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.429 -8.840 -0.365 1.00 1.34 C ATOM 0 H VAL A 54 -16.829 -9.863 -0.544 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.822 -8.432 -2.867 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.495 -10.723 -1.390 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.417 -9.538 -2.048 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.407 -9.968 -3.463 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.394 -8.293 -2.862 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.475 -9.043 0.122 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.494 -7.779 -0.608 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.244 -9.109 0.307 1.00 1.34 H new ATOM 855 N PRO A 55 -16.519 -11.706 -3.084 1.00 0.62 N ATOM 856 CA PRO A 55 -16.765 -12.771 -4.063 1.00 0.59 C ATOM 857 C PRO A 55 -18.219 -12.814 -4.535 1.00 0.58 C ATOM 858 O PRO A 55 -19.111 -13.225 -3.790 1.00 0.83 O ATOM 859 CB PRO A 55 -16.397 -14.040 -3.294 1.00 0.76 C ATOM 860 CG PRO A 55 -16.585 -13.709 -1.838 1.00 0.87 C ATOM 861 CD PRO A 55 -16.747 -12.204 -1.716 1.00 0.83 C ATOM 0 HA PRO A 55 -16.189 -12.630 -4.978 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.033 -14.874 -3.590 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.368 -14.336 -3.498 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.462 -14.220 -1.441 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.728 -14.048 -1.256 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.741 -11.938 -1.355 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.029 -11.781 -1.013 1.00 0.83 H new ATOM 869 N VAL A 56 -18.445 -12.401 -5.781 1.00 0.41 N ATOM 870 CA VAL A 56 -19.784 -12.403 -6.385 1.00 0.43 C ATOM 871 C VAL A 56 -19.904 -13.590 -7.344 1.00 0.42 C ATOM 872 O VAL A 56 -18.999 -13.847 -8.144 1.00 0.43 O ATOM 873 CB VAL A 56 -20.034 -11.073 -7.111 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.399 -11.074 -7.809 1.00 0.62 C ATOM 875 CG2 VAL A 56 -19.940 -9.908 -6.120 1.00 0.63 C ATOM 0 H VAL A 56 -17.712 -12.056 -6.401 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.541 -12.507 -5.608 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.267 -10.950 -7.876 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.550 -10.120 -8.315 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.433 -11.882 -8.540 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.186 -11.220 -7.069 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.119 -8.969 -6.644 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.688 -10.035 -5.337 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -18.946 -9.890 -5.673 1.00 0.63 H new ATOM 885 N SER A 57 -21.002 -14.328 -7.224 1.00 0.47 N ATOM 886 CA SER A 57 -21.253 -15.518 -8.024 1.00 0.48 C ATOM 887 C SER A 57 -21.816 -15.180 -9.412 1.00 0.46 C ATOM 888 O SER A 57 -22.809 -14.458 -9.532 1.00 0.59 O ATOM 889 CB SER A 57 -22.248 -16.412 -7.272 1.00 0.61 C ATOM 890 OG SER A 57 -22.310 -16.089 -5.882 1.00 0.91 O ATOM 0 H SER A 57 -21.748 -14.114 -6.563 1.00 0.47 H new ATOM 0 HA SER A 57 -20.303 -16.031 -8.177 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.238 -16.304 -7.714 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.958 -17.456 -7.389 1.00 0.61 H new ATOM 0 HG SER A 57 -22.955 -16.678 -5.438 1.00 0.91 H new ATOM 896 N LEU A 58 -21.211 -15.761 -10.453 1.00 0.44 N ATOM 897 CA LEU A 58 -21.679 -15.588 -11.834 1.00 0.49 C ATOM 898 C LEU A 58 -22.753 -16.647 -12.095 1.00 0.60 C ATOM 899 O LEU A 58 -22.592 -17.526 -12.943 1.00 0.89 O ATOM 900 CB LEU A 58 -20.517 -15.747 -12.832 1.00 0.67 C ATOM 901 CG LEU A 58 -19.620 -14.509 -12.871 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.372 -14.771 -13.727 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.392 -13.300 -13.404 1.00 0.60 C ATOM 0 H LEU A 58 -20.390 -16.360 -10.365 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.087 -14.586 -11.968 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.921 -16.618 -12.558 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.918 -15.935 -13.828 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.298 -14.289 -11.853 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.747 -13.878 -13.742 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.808 -15.602 -13.303 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.674 -15.019 -14.744 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.736 -12.430 -13.424 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.746 -13.511 -14.413 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.244 -13.098 -12.755 1.00 0.60 H new ATOM 915 N LYS A 59 -23.828 -16.562 -11.314 1.00 0.70 N ATOM 916 CA LYS A 59 -24.954 -17.501 -11.378 1.00 0.90 C ATOM 917 C LYS A 59 -25.922 -17.092 -12.485 1.00 0.87 C ATOM 918 O LYS A 59 -26.782 -16.229 -12.279 1.00 0.95 O ATOM 919 CB LYS A 59 -25.669 -17.518 -10.018 1.00 1.13 C ATOM 920 CG LYS A 59 -26.711 -18.639 -9.921 1.00 1.41 C ATOM 921 CD LYS A 59 -26.154 -19.853 -9.170 1.00 1.78 C ATOM 922 CE LYS A 59 -27.039 -21.087 -9.364 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.430 -20.839 -8.886 1.00 2.83 N ATOM 0 H LYS A 59 -23.946 -15.833 -10.611 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.584 -18.501 -11.605 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.932 -17.641 -9.224 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.157 -16.557 -9.855 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -27.600 -18.269 -9.410 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -27.020 -18.939 -10.922 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.145 -20.068 -9.522 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.078 -19.622 -8.108 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.058 -21.361 -10.419 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.612 -21.932 -8.823 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -28.972 -21.726 -8.920 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.403 -20.487 -7.908 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.886 -20.131 -9.496 1.00 2.83 H new ATOM 937 N GLU A 60 -25.765 -17.711 -13.660 1.00 0.89 N ATOM 938 CA GLU A 60 -26.604 -17.429 -14.834 1.00 0.93 C ATOM 939 C GLU A 60 -26.589 -15.925 -15.141 1.00 0.71 C ATOM 940 O GLU A 60 -27.633 -15.274 -15.199 1.00 0.82 O ATOM 941 CB GLU A 60 -28.037 -17.943 -14.600 1.00 1.20 C ATOM 942 CG GLU A 60 -28.028 -19.433 -14.232 1.00 1.43 C ATOM 943 CD GLU A 60 -29.437 -20.012 -14.253 1.00 1.80 C ATOM 944 OE1 GLU A 60 -30.236 -19.674 -13.357 1.00 2.33 O ATOM 945 OE2 GLU A 60 -29.744 -20.818 -15.157 1.00 2.04 O ATOM 0 H GLU A 60 -25.053 -18.422 -13.826 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.200 -17.953 -15.700 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.508 -17.369 -13.802 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.635 -17.789 -15.498 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.396 -19.980 -14.932 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.593 -19.563 -13.241 1.00 1.43 H new ATOM 952 N ALA A 61 -25.382 -15.382 -15.304 1.00 0.51 N ATOM 953 CA ALA A 61 -25.182 -13.959 -15.569 1.00 0.35 C ATOM 954 C ALA A 61 -25.524 -13.604 -17.016 1.00 0.35 C ATOM 955 O ALA A 61 -25.023 -14.227 -17.956 1.00 0.43 O ATOM 956 CB ALA A 61 -23.729 -13.573 -15.270 1.00 0.31 C ATOM 0 H ALA A 61 -24.515 -15.918 -15.256 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.853 -13.399 -14.917 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.586 -12.511 -15.470 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.506 -13.779 -14.223 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -23.060 -14.154 -15.905 1.00 0.31 H new ATOM 962 N ILE A 62 -26.356 -12.578 -17.178 1.00 0.34 N ATOM 963 CA ILE A 62 -26.757 -12.083 -18.493 1.00 0.37 C ATOM 964 C ILE A 62 -25.887 -10.870 -18.820 1.00 0.31 C ATOM 965 O ILE A 62 -25.698 -9.992 -17.975 1.00 0.31 O ATOM 966 CB ILE A 62 -28.244 -11.686 -18.500 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.133 -12.856 -18.040 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.664 -11.191 -19.893 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.155 -13.985 -19.067 1.00 1.27 C ATOM 0 H ILE A 62 -26.772 -12.066 -16.400 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.623 -12.865 -19.240 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.380 -10.869 -17.792 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.768 -13.238 -17.087 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -30.148 -12.497 -17.871 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.718 -10.915 -19.878 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.065 -10.322 -20.166 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.507 -11.984 -20.624 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.793 -14.792 -18.707 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -29.545 -13.609 -20.013 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -28.143 -14.361 -19.216 1.00 1.27 H new ATOM 981 N CYS A 63 -25.353 -10.828 -20.033 1.00 0.34 N ATOM 982 CA CYS A 63 -24.491 -9.727 -20.464 1.00 0.33 C ATOM 983 C CYS A 63 -24.974 -9.176 -21.805 1.00 0.34 C ATOM 984 O CYS A 63 -25.205 -9.934 -22.749 1.00 0.52 O ATOM 985 CB CYS A 63 -23.035 -10.215 -20.556 1.00 0.37 C ATOM 986 SG CYS A 63 -21.847 -8.968 -20.031 1.00 0.53 S ATOM 0 H CYS A 63 -25.501 -11.546 -20.742 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.538 -8.920 -19.733 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.916 -11.106 -19.940 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.819 -10.507 -21.584 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.476 -7.873 -19.721 1.00 0.53 H new ATOM 992 N GLU A 64 -25.124 -7.852 -21.876 1.00 0.26 N ATOM 993 CA GLU A 64 -25.579 -7.171 -23.092 1.00 0.29 C ATOM 994 C GLU A 64 -24.615 -6.036 -23.430 1.00 0.24 C ATOM 995 O GLU A 64 -23.958 -5.484 -22.546 1.00 0.36 O ATOM 996 CB GLU A 64 -26.994 -6.610 -22.891 1.00 0.33 C ATOM 997 CG GLU A 64 -27.981 -7.687 -22.421 1.00 0.81 C ATOM 998 CD GLU A 64 -29.263 -7.038 -21.920 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.279 -6.557 -20.771 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.255 -6.999 -22.677 1.00 1.83 O ATOM 0 H GLU A 64 -24.935 -7.223 -21.096 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.601 -7.887 -23.913 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.963 -5.803 -22.159 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.348 -6.178 -23.827 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.206 -8.368 -23.242 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.531 -8.282 -21.627 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.530 -5.690 -24.707 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.639 -4.623 -25.169 1.00 0.32 C ATOM 1009 C VAL A 65 -24.355 -3.263 -25.131 1.00 0.31 C ATOM 1010 O VAL A 65 -25.514 -3.144 -25.536 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.154 -4.929 -26.596 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.921 -4.090 -26.941 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.841 -6.420 -26.758 1.00 0.39 C ATOM 0 H VAL A 65 -25.070 -6.134 -25.450 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.778 -4.574 -24.502 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.957 -4.668 -27.286 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.595 -4.322 -27.955 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.171 -3.031 -26.874 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.118 -4.318 -26.240 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.500 -6.612 -27.775 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.060 -6.707 -26.053 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.740 -7.004 -26.561 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.641 -2.244 -24.657 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.150 -0.871 -24.569 1.00 0.31 C ATOM 1025 C ALA A 66 -22.985 0.067 -24.858 1.00 0.34 C ATOM 1026 O ALA A 66 -22.614 0.892 -24.024 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.727 -0.608 -23.170 1.00 0.36 C ATOM 0 H ALA A 66 -22.684 -2.346 -24.319 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.952 -0.709 -25.289 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.102 0.414 -23.117 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.543 -1.304 -22.976 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.946 -0.747 -22.422 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.382 -0.106 -26.044 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.207 0.665 -26.484 1.00 0.71 C ATOM 1035 C LEU A 67 -21.343 2.157 -26.175 1.00 0.89 C ATOM 1036 O LEU A 67 -20.560 2.708 -25.391 1.00 1.22 O ATOM 1037 CB LEU A 67 -20.974 0.444 -27.995 1.00 0.76 C ATOM 1038 CG LEU A 67 -19.558 -0.059 -28.286 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.419 -1.523 -27.877 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.222 0.118 -29.768 1.00 1.39 C ATOM 0 H LEU A 67 -22.698 -0.790 -26.731 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.344 0.303 -25.924 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.700 -0.276 -28.373 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.144 1.379 -28.529 1.00 0.76 H new ATOM 0 HG LEU A 67 -18.853 0.531 -27.700 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.407 -1.866 -28.090 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.619 -1.623 -26.810 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.132 -2.127 -28.438 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.212 -0.245 -29.958 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -19.930 -0.449 -30.372 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -19.284 1.174 -30.032 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.338 2.790 -26.793 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.603 4.224 -26.614 1.00 1.14 C ATOM 1054 C ASP A 68 -23.618 4.461 -25.488 1.00 0.87 C ATOM 1055 O ASP A 68 -24.713 4.981 -25.718 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.108 4.822 -27.945 1.00 1.59 C ATOM 1057 CG ASP A 68 -22.836 6.327 -28.025 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.482 7.103 -27.288 1.00 2.62 O ATOM 1059 OD2 ASP A 68 -21.983 6.739 -28.843 1.00 3.07 O ATOM 0 H ASP A 68 -22.985 2.328 -27.432 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.677 4.722 -26.327 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.620 4.318 -28.779 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.178 4.639 -28.044 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.241 4.095 -24.259 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.116 4.300 -23.093 1.00 0.69 C ATOM 1066 C TYR A 69 -24.002 5.746 -22.600 1.00 0.97 C ATOM 1067 O TYR A 69 -24.888 6.256 -21.909 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.772 3.312 -21.966 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.620 3.506 -20.727 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.977 3.233 -20.760 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.035 3.953 -19.555 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.747 3.409 -19.623 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.805 4.129 -18.419 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.178 3.867 -18.474 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.928 4.033 -17.331 1.00 0.97 O ATOM 0 H TYR A 69 -22.345 3.659 -24.043 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.146 4.113 -23.396 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -23.901 2.293 -22.332 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.721 3.424 -21.701 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.435 2.883 -21.673 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.976 4.165 -19.527 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.803 3.182 -19.648 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.350 4.465 -17.499 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.662 3.383 -17.324 1.00 0.97 H new ATOM 1085 N LYS A 70 -22.915 6.393 -22.990 1.00 1.40 N ATOM 1086 CA LYS A 70 -22.636 7.787 -22.643 1.00 1.81 C ATOM 1087 C LYS A 70 -22.147 8.519 -23.894 1.00 1.82 C ATOM 1088 O LYS A 70 -22.944 9.118 -24.619 1.00 2.53 O ATOM 1089 CB LYS A 70 -21.588 7.862 -21.523 1.00 2.43 C ATOM 1090 CG LYS A 70 -22.086 7.193 -20.238 1.00 2.98 C ATOM 1091 CD LYS A 70 -21.442 7.807 -18.990 1.00 3.79 C ATOM 1092 CE LYS A 70 -22.252 9.001 -18.467 1.00 4.45 C ATOM 1093 NZ LYS A 70 -21.527 9.742 -17.396 1.00 4.84 N ATOM 0 H LYS A 70 -22.189 5.964 -23.564 1.00 1.40 H new ATOM 0 HA LYS A 70 -23.546 8.264 -22.278 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -20.668 7.379 -21.852 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -21.346 8.905 -21.320 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -23.170 7.291 -20.174 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -21.864 6.126 -20.274 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -21.364 7.050 -18.210 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -20.427 8.129 -19.224 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -22.472 9.679 -19.292 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -23.208 8.649 -18.080 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -22.109 10.540 -17.071 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -21.339 9.103 -16.597 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -20.626 10.101 -17.771 1.00 4.84 H new ATOM 1107 N LYS A 71 -20.840 8.448 -24.152 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.231 9.083 -25.324 1.00 2.22 C ATOM 1109 C LYS A 71 -18.967 8.327 -25.710 1.00 2.19 C ATOM 1110 O LYS A 71 -18.911 7.660 -26.746 1.00 2.78 O ATOM 1111 CB LYS A 71 -19.896 10.557 -25.042 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.155 11.424 -24.939 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.855 12.901 -25.219 1.00 4.44 C ATOM 1114 CE LYS A 71 -21.004 13.754 -23.959 1.00 5.27 C ATOM 1115 NZ LYS A 71 -19.955 13.430 -22.946 1.00 5.62 N ATOM 0 H LYS A 71 -20.176 7.951 -23.558 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.945 9.051 -26.147 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.330 10.629 -24.113 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.256 10.941 -25.836 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.902 11.065 -25.646 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.585 11.323 -23.942 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -19.842 13.000 -25.608 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -21.530 13.270 -25.991 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -20.940 14.809 -24.224 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -21.991 13.593 -23.525 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -20.088 14.028 -22.105 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -20.032 12.429 -22.675 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -19.014 13.607 -23.352 1.00 5.62 H new ATOM 1129 N LYS A 72 -17.965 8.429 -24.847 1.00 2.22 N ATOM 1130 CA LYS A 72 -16.677 7.755 -25.043 1.00 2.54 C ATOM 1131 C LYS A 72 -16.604 6.505 -24.162 1.00 1.92 C ATOM 1132 O LYS A 72 -17.287 6.418 -23.138 1.00 2.45 O ATOM 1133 CB LYS A 72 -15.513 8.700 -24.713 1.00 3.71 C ATOM 1134 CG LYS A 72 -15.404 9.834 -25.740 1.00 4.59 C ATOM 1135 CD LYS A 72 -14.190 10.727 -25.472 1.00 5.67 C ATOM 1136 CE LYS A 72 -13.854 11.608 -26.685 1.00 6.56 C ATOM 1137 NZ LYS A 72 -13.219 10.823 -27.782 1.00 7.03 N ATOM 0 H LYS A 72 -18.017 8.980 -23.990 1.00 2.22 H new ATOM 0 HA LYS A 72 -16.595 7.462 -26.090 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -15.655 9.121 -23.718 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -14.580 8.137 -24.691 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -15.331 9.411 -26.742 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -16.312 10.437 -25.714 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -14.387 11.359 -24.606 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -13.329 10.106 -25.224 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -14.765 12.079 -27.055 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -13.183 12.410 -26.377 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -12.870 11.472 -28.516 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -12.424 10.273 -27.400 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -13.920 10.176 -28.197 1.00 7.03 H new ATOM 1151 N LYS A 73 -15.775 5.547 -24.587 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.565 4.266 -23.894 1.00 1.35 C ATOM 1153 C LYS A 73 -16.742 3.322 -24.126 1.00 1.05 C ATOM 1154 O LYS A 73 -17.911 3.716 -24.051 1.00 1.79 O ATOM 1155 CB LYS A 73 -15.312 4.447 -22.392 1.00 1.94 C ATOM 1156 CG LYS A 73 -14.079 5.313 -22.129 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.783 4.532 -22.378 1.00 2.93 C ATOM 1158 CE LYS A 73 -11.542 5.396 -22.143 1.00 3.52 C ATOM 1159 NZ LYS A 73 -11.485 5.913 -20.747 1.00 3.96 N ATOM 0 H LYS A 73 -15.219 5.639 -25.438 1.00 1.52 H new ATOM 0 HA LYS A 73 -14.666 3.822 -24.322 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -16.185 4.906 -21.928 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -15.178 3.471 -21.925 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -14.106 6.192 -22.773 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -14.097 5.672 -21.100 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -12.750 3.663 -21.720 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.776 4.157 -23.402 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -10.647 4.810 -22.351 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -11.544 6.233 -22.841 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -10.545 6.318 -20.565 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -12.209 6.648 -20.619 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.661 5.134 -20.081 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.420 2.070 -24.432 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.421 1.038 -24.708 1.00 0.38 C ATOM 1175 C HIS A 74 -17.950 0.446 -23.402 1.00 0.30 C ATOM 1176 O HIS A 74 -17.201 -0.176 -22.639 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.803 -0.063 -25.589 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.260 0.451 -26.898 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.202 1.785 -27.226 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.745 -0.192 -27.974 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.682 1.956 -28.415 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.388 0.765 -28.908 1.00 1.53 N ATOM 0 H HIS A 74 -15.458 1.739 -24.497 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.258 1.488 -25.241 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.999 -0.551 -25.037 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.558 -0.823 -25.791 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -15.633 -1.261 -28.083 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.521 2.904 -28.907 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.970 0.583 -29.820 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.242 0.653 -23.144 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.886 0.148 -21.924 1.00 0.23 C ATOM 1192 C VAL A 75 -20.655 -1.146 -22.230 1.00 0.22 C ATOM 1193 O VAL A 75 -21.042 -1.396 -23.369 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.833 1.234 -21.359 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.745 0.692 -20.251 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.026 2.419 -20.832 1.00 0.31 C ATOM 0 H VAL A 75 -19.867 1.168 -23.764 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.127 -0.081 -21.176 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.471 1.561 -22.180 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.390 1.492 -19.887 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.358 -0.117 -20.648 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.135 0.316 -19.430 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.705 3.175 -20.438 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.359 2.081 -20.039 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.437 2.848 -21.643 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.886 -1.960 -21.204 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.638 -3.208 -21.352 1.00 0.23 C ATOM 1208 C PHE A 76 -22.463 -3.457 -20.088 1.00 0.22 C ATOM 1209 O PHE A 76 -22.055 -3.102 -18.978 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.714 -4.401 -21.678 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.768 -4.824 -20.570 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.512 -4.252 -20.473 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.145 -5.817 -19.676 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.634 -4.664 -19.481 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.269 -6.227 -18.679 1.00 0.29 C ATOM 1216 CZ PHE A 76 -18.010 -5.650 -18.585 1.00 0.29 C ATOM 0 H PHE A 76 -20.562 -1.778 -20.254 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.316 -3.109 -22.200 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.336 -5.255 -21.945 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.123 -4.149 -22.558 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.214 -3.483 -21.171 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.121 -6.272 -19.756 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.655 -4.214 -19.408 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.567 -6.993 -17.978 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.325 -5.970 -17.814 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.634 -4.055 -20.269 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.553 -4.352 -19.170 1.00 0.28 C ATOM 1228 C LYS A 77 -24.280 -5.757 -18.642 1.00 0.31 C ATOM 1229 O LYS A 77 -24.176 -6.706 -19.419 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.006 -4.226 -19.670 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.047 -4.707 -18.639 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.948 -3.568 -18.142 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.766 -2.914 -19.268 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.205 -3.902 -20.302 1.00 1.95 N ATOM 0 H LYS A 77 -23.977 -4.350 -21.183 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.402 -3.642 -18.357 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.208 -3.185 -19.922 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.119 -4.804 -20.587 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.664 -5.486 -19.086 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.532 -5.156 -17.790 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.629 -3.955 -17.384 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.332 -2.809 -17.660 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.642 -2.426 -18.841 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.168 -2.136 -19.743 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.087 -3.573 -20.744 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.467 -3.994 -21.029 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.366 -4.826 -19.853 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.182 -5.879 -17.323 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.940 -7.160 -16.660 1.00 0.24 C ATOM 1250 C LEU A 78 -24.999 -7.343 -15.576 1.00 0.29 C ATOM 1251 O LEU A 78 -24.970 -6.679 -14.536 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.528 -7.188 -16.066 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.181 -8.544 -15.455 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.717 -9.697 -16.307 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.672 -8.681 -15.256 1.00 0.86 C ATOM 0 H LEU A 78 -24.268 -5.092 -16.680 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.009 -7.979 -17.376 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.804 -6.947 -16.845 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.443 -6.415 -15.302 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.665 -8.597 -14.480 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.452 -10.647 -15.842 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.802 -9.620 -16.382 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.280 -9.646 -17.304 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.449 -9.655 -14.820 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.168 -8.591 -16.218 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.320 -7.895 -14.588 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.948 -8.228 -15.850 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.059 -8.507 -14.945 1.00 0.40 C ATOM 1269 C ARG A 79 -26.920 -9.899 -14.338 1.00 0.45 C ATOM 1270 O ARG A 79 -26.960 -10.906 -15.051 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.379 -8.382 -15.729 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.598 -8.808 -14.902 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.177 -10.135 -15.408 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.572 -10.272 -15.000 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.395 -11.116 -15.609 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.438 -12.387 -15.223 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.139 -10.689 -16.620 1.00 2.99 N ATOM 0 H ARG A 79 -25.970 -8.776 -16.710 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.054 -7.789 -14.125 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.508 -7.350 -16.054 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.323 -8.995 -16.629 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.313 -8.909 -13.855 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.363 -8.033 -14.951 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.104 -10.180 -16.495 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.593 -10.967 -15.014 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.923 -9.705 -14.228 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.840 -12.709 -14.462 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.069 -13.040 -15.688 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -33.076 -9.718 -16.925 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.774 -11.332 -17.093 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.791 -9.947 -13.015 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.677 -11.209 -12.282 1.00 0.68 C ATOM 1293 C LEU A 80 -28.077 -11.675 -11.883 1.00 0.84 C ATOM 1294 O LEU A 80 -28.840 -10.921 -11.269 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.801 -11.038 -11.031 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.493 -10.296 -11.330 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.633 -10.193 -10.070 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.711 -10.988 -12.448 1.00 1.26 C ATOM 0 H LEU A 80 -26.762 -9.118 -12.421 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.205 -11.954 -12.922 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.360 -10.492 -10.271 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.572 -12.019 -10.614 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.748 -9.290 -11.664 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.709 -9.663 -10.302 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.180 -9.649 -9.300 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.396 -11.194 -9.708 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.788 -10.440 -12.639 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.472 -12.008 -12.147 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.315 -11.009 -13.355 1.00 1.26 H new ATOM 1310 N SER A 81 -28.423 -12.908 -12.246 1.00 1.01 N ATOM 1311 CA SER A 81 -29.751 -13.475 -11.951 1.00 1.23 C ATOM 1312 C SER A 81 -29.928 -13.828 -10.463 1.00 1.40 C ATOM 1313 O SER A 81 -31.001 -14.284 -10.058 1.00 1.92 O ATOM 1314 CB SER A 81 -29.991 -14.711 -12.821 1.00 1.52 C ATOM 1315 OG SER A 81 -29.885 -14.370 -14.201 1.00 2.18 O ATOM 0 H SER A 81 -27.802 -13.543 -12.748 1.00 1.01 H new ATOM 0 HA SER A 81 -30.490 -12.709 -12.184 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.265 -15.485 -12.574 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.979 -15.123 -12.616 1.00 1.52 H new ATOM 0 HG SER A 81 -29.047 -14.726 -14.563 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.895 -13.596 -9.645 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.973 -13.868 -8.200 1.00 1.76 C ATOM 1323 C ASP A 82 -29.656 -12.688 -7.477 1.00 1.31 C ATOM 1324 O ASP A 82 -30.161 -12.839 -6.363 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.567 -14.176 -7.618 1.00 2.76 C ATOM 1326 CG ASP A 82 -26.773 -12.913 -7.276 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -26.645 -12.030 -8.143 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -26.276 -12.809 -6.133 1.00 3.77 O ATOM 0 H ASP A 82 -27.998 -13.222 -9.954 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.583 -14.756 -8.037 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.677 -14.784 -6.720 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.003 -14.769 -8.338 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.674 -11.523 -8.138 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.295 -10.309 -7.604 1.00 1.53 C ATOM 1335 C GLY A 83 -29.332 -9.128 -7.672 1.00 1.31 C ATOM 1336 O GLY A 83 -29.006 -8.530 -6.622 1.00 1.88 O ATOM 0 H GLY A 83 -29.257 -11.398 -9.060 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.198 -10.079 -8.169 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.599 -10.476 -6.571 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.874 -8.789 -8.901 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.941 -7.668 -9.082 1.00 0.71 C ATOM 1342 C ASN A 84 -27.919 -7.192 -10.538 1.00 0.62 C ATOM 1343 O ASN A 84 -28.099 -7.984 -11.468 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.521 -8.092 -8.655 1.00 0.84 C ATOM 1345 CG ASN A 84 -25.867 -7.031 -7.774 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.011 -5.832 -8.015 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.141 -7.473 -6.757 1.00 1.32 N ATOM 0 H ASN A 84 -29.134 -9.270 -9.762 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.282 -6.843 -8.457 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.568 -9.038 -8.115 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.908 -8.261 -9.540 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -24.675 -6.810 -6.137 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.049 -8.476 -6.594 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.671 -5.894 -10.720 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.592 -5.267 -12.047 1.00 0.55 C ATOM 1356 C GLU A 85 -26.486 -4.206 -12.040 1.00 0.47 C ATOM 1357 O GLU A 85 -26.614 -3.175 -11.373 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.933 -4.625 -12.418 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.969 -5.683 -12.806 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.310 -5.035 -13.130 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.389 -3.791 -13.160 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.292 -5.768 -13.357 1.00 1.39 O ATOM 0 H GLU A 85 -27.518 -5.243 -9.950 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.361 -6.031 -12.789 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.304 -4.041 -11.576 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.790 -3.932 -13.247 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.614 -6.246 -13.669 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.092 -6.395 -11.990 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.401 -4.469 -12.777 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.250 -3.552 -12.860 1.00 0.31 C ATOM 1371 C TYR A 86 -23.979 -3.117 -14.307 1.00 0.29 C ATOM 1372 O TYR A 86 -24.215 -3.875 -15.254 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.972 -4.250 -12.358 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.958 -4.642 -10.896 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.013 -3.659 -9.920 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.939 -5.978 -10.525 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.043 -4.006 -8.581 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.963 -6.323 -9.182 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.843 -5.379 -8.231 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.060 -5.688 -6.886 1.00 0.77 O ATOM 0 H TYR A 86 -25.292 -5.318 -13.332 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.497 -2.685 -12.247 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.814 -5.148 -12.955 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.125 -3.590 -12.544 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.033 -2.618 -10.206 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.906 -6.749 -11.281 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.213 -3.260 -7.819 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.079 -7.358 -8.897 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.125 -4.860 -6.366 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.393 -1.926 -14.449 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.964 -1.379 -15.744 1.00 0.23 C ATOM 1392 C LEU A 87 -21.440 -1.320 -15.692 1.00 0.22 C ATOM 1393 O LEU A 87 -20.884 -0.809 -14.712 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.505 0.039 -15.986 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.030 0.107 -16.053 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.467 1.422 -16.698 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.614 -1.074 -16.826 1.00 0.38 C ATOM 0 H LEU A 87 -23.200 -1.306 -13.662 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.342 -2.007 -16.551 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.155 0.694 -15.188 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.091 0.423 -16.918 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.411 0.058 -15.033 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.555 1.462 -16.742 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.097 2.259 -16.105 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.061 1.485 -17.708 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.700 -0.990 -16.852 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.225 -1.070 -17.844 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.333 -2.005 -16.334 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.765 -1.863 -16.702 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.301 -1.890 -16.722 1.00 0.19 C ATOM 1411 C PHE A 88 -18.737 -1.135 -17.926 1.00 0.20 C ATOM 1412 O PHE A 88 -19.172 -1.339 -19.060 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.819 -3.342 -16.735 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.903 -4.003 -15.375 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.016 -3.655 -14.367 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.871 -4.966 -15.135 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.096 -4.273 -13.130 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.950 -5.579 -13.900 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.051 -5.196 -12.878 1.00 0.22 C ATOM 0 H PHE A 88 -21.205 -2.290 -17.517 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.939 -1.389 -15.824 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.416 -3.911 -17.448 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.788 -3.374 -17.086 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.263 -2.902 -14.547 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.565 -5.238 -15.916 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.387 -4.014 -12.358 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.691 -6.343 -13.717 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.127 -5.641 -11.897 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.744 -0.278 -17.666 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.074 0.510 -18.710 1.00 0.26 C ATOM 1431 C GLN A 89 -15.678 -0.054 -18.951 1.00 0.22 C ATOM 1432 O GLN A 89 -14.854 -0.112 -18.023 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.942 1.982 -18.295 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.752 2.903 -19.507 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.306 4.299 -19.065 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.944 5.298 -19.392 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.210 4.370 -18.321 1.00 1.63 N ATOM 0 H GLN A 89 -17.381 -0.110 -16.728 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.676 0.452 -19.617 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.833 2.285 -17.745 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.095 2.094 -17.618 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.010 2.476 -20.181 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.686 2.974 -20.065 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.708 3.518 -18.070 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.870 5.276 -18.000 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.416 -0.440 -20.195 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.114 -0.975 -20.599 1.00 0.24 C ATOM 1448 C ALA A 90 -13.250 0.158 -21.157 1.00 0.27 C ATOM 1449 O ALA A 90 -13.768 1.208 -21.549 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.303 -2.063 -21.664 1.00 0.29 C ATOM 0 H ALA A 90 -16.097 -0.392 -20.953 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.619 -1.414 -19.733 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.330 -2.456 -21.959 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.912 -2.870 -21.256 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.802 -1.637 -22.535 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.940 -0.054 -21.209 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.017 0.959 -21.737 1.00 0.44 C ATOM 1458 C LYS A 91 -10.804 0.763 -23.241 1.00 0.49 C ATOM 1459 O LYS A 91 -10.573 1.724 -23.971 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.681 0.913 -20.983 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.967 -0.439 -21.149 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.179 -0.875 -19.903 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.917 -0.626 -18.579 1.00 1.86 C ATOM 1464 NZ LYS A 91 -10.316 -1.147 -18.580 1.00 2.29 N ATOM 0 H LYS A 91 -11.489 -0.913 -20.895 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.460 1.943 -21.585 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.033 1.711 -21.346 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.857 1.102 -19.924 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.706 -1.204 -21.388 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.285 -0.379 -21.997 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.949 -1.937 -19.985 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.228 -0.343 -19.883 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.362 -1.095 -17.767 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.935 0.445 -18.376 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -10.968 -0.393 -18.283 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -10.568 -1.464 -19.538 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -10.389 -1.947 -17.920 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.887 -0.491 -23.693 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.707 -0.841 -25.114 1.00 0.66 C ATOM 1480 C ASP A 92 -11.800 -1.811 -25.580 1.00 0.59 C ATOM 1481 O ASP A 92 -12.377 -2.554 -24.777 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.322 -1.482 -25.316 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.958 -1.553 -26.798 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.334 -2.538 -27.463 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.297 -0.623 -27.299 1.00 1.77 O ATOM 0 H ASP A 92 -11.080 -1.292 -23.092 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.780 0.070 -25.708 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.569 -0.903 -24.781 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.316 -2.485 -24.889 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.054 -1.814 -26.895 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.051 -2.698 -27.531 1.00 0.63 C ATOM 1492 C ASP A 93 -12.676 -4.169 -27.301 1.00 0.49 C ATOM 1493 O ASP A 93 -13.530 -4.996 -26.968 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.121 -2.389 -29.043 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.061 -3.346 -29.785 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.275 -3.057 -29.864 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.589 -4.392 -30.280 1.00 2.13 O ATOM 0 H ASP A 93 -11.574 -1.202 -27.554 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.030 -2.520 -27.085 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.461 -1.363 -29.187 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.122 -2.457 -29.473 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.384 -4.473 -27.456 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.860 -5.829 -27.253 1.00 0.41 C ATOM 1504 C GLU A 94 -11.083 -6.277 -25.808 1.00 0.36 C ATOM 1505 O GLU A 94 -11.394 -7.440 -25.546 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.367 -5.860 -27.583 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.113 -5.471 -29.040 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.811 -6.083 -29.525 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.824 -7.238 -29.995 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -6.770 -5.399 -29.454 1.00 2.43 O ATOM 0 H GLU A 94 -10.674 -3.791 -27.724 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.391 -6.513 -27.915 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.832 -5.177 -26.923 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.972 -6.858 -27.396 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.939 -5.812 -29.665 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.070 -4.386 -29.132 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.950 -5.332 -24.877 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.156 -5.595 -23.452 1.00 0.29 C ATOM 1519 C GLU A 95 -12.628 -5.938 -23.194 1.00 0.24 C ATOM 1520 O GLU A 95 -12.939 -6.961 -22.583 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.753 -4.366 -22.631 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.369 -4.760 -21.201 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.783 -3.693 -20.193 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.240 -2.606 -20.599 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.641 -3.941 -18.984 1.00 1.30 O ATOM 0 H GLU A 95 -10.698 -4.366 -25.088 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.536 -6.440 -23.152 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.913 -3.863 -23.111 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.578 -3.655 -22.606 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.844 -5.707 -20.944 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.292 -4.917 -21.143 1.00 0.42 H new ATOM 1532 N MET A 96 -13.521 -5.074 -23.692 1.00 0.24 N ATOM 1533 CA MET A 96 -14.975 -5.251 -23.556 1.00 0.22 C ATOM 1534 C MET A 96 -15.411 -6.609 -24.122 1.00 0.22 C ATOM 1535 O MET A 96 -16.181 -7.336 -23.493 1.00 0.23 O ATOM 1536 CB MET A 96 -15.697 -4.113 -24.296 1.00 0.26 C ATOM 1537 CG MET A 96 -17.149 -3.968 -23.833 1.00 0.39 C ATOM 1538 SD MET A 96 -18.277 -3.551 -25.179 1.00 0.94 S ATOM 1539 CE MET A 96 -18.026 -4.935 -26.308 1.00 0.77 C ATOM 0 H MET A 96 -13.257 -4.231 -24.202 1.00 0.24 H new ATOM 0 HA MET A 96 -15.238 -5.224 -22.499 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.166 -3.176 -24.128 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.675 -4.305 -25.369 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.472 -4.900 -23.370 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.205 -3.195 -23.066 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.441 -4.603 -27.166 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.493 -5.733 -25.792 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.992 -5.306 -26.649 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.889 -6.942 -25.305 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.191 -8.213 -25.978 1.00 0.28 C ATOM 1551 C ASN A 97 -14.745 -9.408 -25.115 1.00 0.26 C ATOM 1552 O ASN A 97 -15.492 -10.370 -24.944 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.497 -8.246 -27.353 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.879 -9.494 -28.155 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.026 -10.325 -28.471 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.154 -9.628 -28.486 1.00 1.24 N ATOM 0 H ASN A 97 -14.247 -6.342 -25.824 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.269 -8.290 -26.121 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.768 -7.354 -27.918 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.416 -8.220 -27.215 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.459 -10.441 -29.021 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.831 -8.918 -28.206 1.00 1.24 H new ATOM 1563 N THR A 98 -13.525 -9.332 -24.565 1.00 0.25 N ATOM 1564 CA THR A 98 -12.978 -10.403 -23.715 1.00 0.27 C ATOM 1565 C THR A 98 -13.749 -10.509 -22.389 1.00 0.23 C ATOM 1566 O THR A 98 -14.005 -11.610 -21.906 1.00 0.27 O ATOM 1567 CB THR A 98 -11.480 -10.160 -23.452 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.814 -9.823 -24.665 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.819 -11.397 -22.837 1.00 0.39 C ATOM 0 H THR A 98 -12.896 -8.539 -24.693 1.00 0.25 H new ATOM 0 HA THR A 98 -13.094 -11.349 -24.244 1.00 0.27 H new ATOM 0 HB THR A 98 -11.397 -9.333 -22.747 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.782 -8.848 -24.760 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.762 -11.196 -22.662 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.304 -11.636 -21.891 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.920 -12.241 -23.520 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.129 -9.364 -21.809 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.881 -9.338 -20.539 1.00 0.20 C ATOM 1579 C TRP A 99 -16.228 -10.051 -20.698 1.00 0.21 C ATOM 1580 O TRP A 99 -16.535 -10.981 -19.952 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.113 -7.887 -20.070 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.970 -7.322 -19.276 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.220 -6.221 -19.585 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.448 -7.829 -18.024 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.277 -6.044 -18.614 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.384 -6.998 -17.652 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.772 -8.905 -17.191 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.652 -7.210 -16.495 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.042 -9.118 -16.026 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.990 -8.280 -15.684 1.00 0.29 C ATOM 0 H TRP A 99 -13.930 -8.441 -22.195 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.289 -9.859 -19.787 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.286 -7.256 -20.941 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.019 -7.850 -19.464 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.352 -5.594 -20.455 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.584 -5.295 -18.611 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.585 -9.567 -17.451 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.835 -6.555 -16.231 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.297 -9.945 -15.380 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.431 -8.464 -14.779 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.018 -9.616 -21.681 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.332 -10.207 -21.954 1.00 0.24 C ATOM 1603 C ILE A 100 -18.194 -11.700 -22.296 1.00 0.28 C ATOM 1604 O ILE A 100 -18.979 -12.524 -21.828 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.021 -9.446 -23.100 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.284 -7.987 -22.704 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.332 -10.123 -23.503 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.705 -7.150 -23.909 1.00 0.29 C ATOM 0 H ILE A 100 -16.769 -8.850 -22.307 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.948 -10.123 -21.059 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.348 -9.462 -23.957 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.064 -7.950 -21.943 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.384 -7.561 -22.260 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.796 -9.563 -24.315 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.129 -11.141 -23.835 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -21.007 -10.148 -22.647 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.883 -6.122 -23.594 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.914 -7.167 -24.658 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.619 -7.562 -24.337 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.183 -12.046 -23.099 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.936 -13.443 -23.492 1.00 0.35 C ATOM 1622 C GLN A 101 -16.528 -14.294 -22.282 1.00 0.36 C ATOM 1623 O GLN A 101 -17.028 -15.405 -22.106 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.841 -13.503 -24.567 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.398 -13.157 -25.956 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.182 -14.333 -26.543 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.145 -15.448 -26.017 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -17.889 -14.093 -27.634 1.00 1.76 N ATOM 0 H GLN A 101 -16.519 -11.379 -23.492 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.863 -13.849 -23.898 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.040 -12.809 -24.312 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.404 -14.501 -24.587 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.046 -12.283 -25.884 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.579 -12.892 -26.624 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -17.896 -13.158 -28.042 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -18.427 -14.843 -28.068 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.629 -13.767 -21.442 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.159 -14.479 -20.241 1.00 0.37 C ATOM 1639 C ALA A 102 -16.327 -14.760 -19.288 1.00 0.38 C ATOM 1640 O ALA A 102 -16.447 -15.859 -18.746 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.078 -13.659 -19.527 1.00 0.38 C ATOM 0 H ALA A 102 -15.209 -12.846 -21.570 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.730 -15.432 -20.551 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.739 -14.196 -18.641 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.236 -13.503 -20.201 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.490 -12.694 -19.231 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.199 -13.762 -19.117 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.385 -13.882 -18.258 1.00 0.38 C ATOM 1649 C ILE A 103 -19.400 -14.850 -18.895 1.00 0.47 C ATOM 1650 O ILE A 103 -19.989 -15.687 -18.208 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.011 -12.491 -18.052 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.075 -11.599 -17.215 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.382 -12.592 -17.378 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.300 -10.109 -17.484 1.00 0.35 C ATOM 0 H ILE A 103 -17.105 -12.851 -19.567 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.095 -14.283 -17.287 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.149 -12.039 -19.035 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.233 -11.803 -16.156 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.039 -11.854 -17.437 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.797 -11.593 -17.247 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.051 -13.184 -18.002 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.275 -13.071 -16.405 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.617 -9.521 -16.871 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.115 -9.897 -18.537 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.328 -9.846 -17.236 1.00 0.35 H new ATOM 1666 N SER A 104 -19.586 -14.744 -20.217 1.00 0.53 N ATOM 1667 CA SER A 104 -20.512 -15.613 -20.955 1.00 0.66 C ATOM 1668 C SER A 104 -20.057 -17.077 -20.891 1.00 0.72 C ATOM 1669 O SER A 104 -20.872 -17.982 -20.719 1.00 0.89 O ATOM 1670 CB SER A 104 -20.596 -15.163 -22.418 1.00 0.81 C ATOM 1671 OG SER A 104 -21.146 -13.855 -22.519 1.00 1.05 O ATOM 0 H SER A 104 -19.104 -14.060 -20.801 1.00 0.53 H new ATOM 0 HA SER A 104 -21.496 -15.535 -20.492 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.602 -15.179 -22.864 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.210 -15.864 -22.983 1.00 0.81 H new ATOM 0 HG SER A 104 -20.476 -13.196 -22.242 1.00 1.05 H new ATOM 1677 N SER A 105 -18.747 -17.296 -21.033 1.00 0.80 N ATOM 1678 CA SER A 105 -18.163 -18.642 -21.000 1.00 1.13 C ATOM 1679 C SER A 105 -17.874 -19.108 -19.561 1.00 1.23 C ATOM 1680 O SER A 105 -17.169 -20.098 -19.357 1.00 1.61 O ATOM 1681 CB SER A 105 -16.875 -18.661 -21.834 1.00 1.48 C ATOM 1682 OG SER A 105 -17.114 -18.162 -23.149 1.00 1.63 O ATOM 0 H SER A 105 -18.064 -16.551 -21.173 1.00 0.80 H new ATOM 0 HA SER A 105 -18.888 -19.336 -21.425 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.111 -18.057 -21.345 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.489 -19.679 -21.891 1.00 1.48 H new ATOM 0 HG SER A 105 -17.128 -17.182 -23.130 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.437 -18.411 -18.568 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.255 -18.776 -17.162 1.00 1.59 C ATOM 1690 C ALA A 106 -19.293 -19.826 -16.776 1.00 2.40 C ATOM 1691 O ALA A 106 -18.909 -20.955 -16.419 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.404 -17.543 -16.267 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.506 -19.521 -16.844 1.00 3.05 O ATOM 0 H ALA A 106 -19.023 -17.589 -18.714 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.253 -19.183 -17.026 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.266 -17.831 -15.225 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.653 -16.802 -16.541 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.399 -17.117 -16.397 1.00 1.90 H new TER 1699 ALA A 106