USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=35 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 71 LYS NZ :NH3+ 164:sc= -0.0448 (180deg=-0.338) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.269 K(o=-0.31,f=-1.1) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -1.04! F(o=-4.4,f=-3.7!) USER MOD Set 2.2: A 86 TYR OH : rot -21:sc= -2.68! USER MOD Set 3.1: A 24 HIS : no HE2:sc= 1.11 K(o=2.4,f=-5.6!) USER MOD Set 3.2: A 50 TYR OH : rot 150:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.482 (180deg=0.0105) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.052!) USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= 1.32 (180deg=0.589) USER MOD Single : A 9 HIS : no HE2:sc= -0.381 K(o=-0.38,f=-13!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00952) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= -0.0125 (180deg=-0.555) USER MOD Single : A 19 SER OG : rot 180:sc= -0.048 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 22 SER OG : rot 180:sc= 0.108 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 159:sc= 0 USER MOD Single : A 28 CYS SG : rot -164:sc= 0.362 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 32 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.9) USER MOD Single : A 33 GLN : amide:sc= 1.19 K(o=1.2,f=-0.14) USER MOD Single : A 35 MET CE :methyl -153:sc= -0.331 (180deg=-2.44!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0.178 (180deg=0.0159) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -110:sc= 0.0637 USER MOD Single : A 46 SER OG : rot -92:sc= -0.749! USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 68:sc= 1.38 USER MOD Single : A 57 SER OG : rot -80:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.16) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.285 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0543) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc=-0.00894 (180deg=-0.122) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.0542 (180deg=-0.415) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0.702) USER MOD Single : A 81 SER OG : rot 86:sc= 0.623 USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= 0.0804 (180deg=-0.114) USER MOD Single : A 96 MET CE :methyl 164:sc= 0 (180deg=-0.084) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 101 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.8) USER MOD Single : A 104 SER OG : rot 83:sc= 1.24 USER MOD Single : A 105 SER OG : rot 80:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.036 -13.134 -16.859 1.00 1.74 N ATOM 2 CA MET A 1 -8.695 -11.782 -17.389 1.00 1.02 C ATOM 3 C MET A 1 -8.948 -10.751 -16.297 1.00 0.87 C ATOM 4 O MET A 1 -10.044 -10.200 -16.181 1.00 1.29 O ATOM 5 CB MET A 1 -9.509 -11.442 -18.650 1.00 1.60 C ATOM 6 CG MET A 1 -8.696 -11.701 -19.923 1.00 2.33 C ATOM 7 SD MET A 1 -8.630 -13.449 -20.358 1.00 3.31 S ATOM 8 CE MET A 1 -7.378 -13.436 -21.655 1.00 4.33 C ATOM 0 H1 MET A 1 -8.324 -13.822 -17.177 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.050 -13.106 -15.819 1.00 1.74 H new ATOM 0 H3 MET A 1 -9.973 -13.418 -17.210 1.00 1.74 H new ATOM 0 HA MET A 1 -7.644 -11.772 -17.677 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.420 -12.040 -18.670 1.00 1.60 H new ATOM 0 HB3 MET A 1 -9.815 -10.396 -18.617 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.133 -11.141 -20.749 1.00 2.33 H new ATOM 0 HG3 MET A 1 -7.682 -11.326 -19.785 1.00 2.33 H new ATOM 0 HE1 MET A 1 -7.227 -14.450 -22.025 1.00 4.33 H new ATOM 0 HE2 MET A 1 -7.709 -12.797 -22.474 1.00 4.33 H new ATOM 0 HE3 MET A 1 -6.440 -13.053 -21.252 1.00 4.33 H new ATOM 20 N GLU A 2 -7.930 -10.528 -15.476 1.00 0.51 N ATOM 21 CA GLU A 2 -7.988 -9.615 -14.359 1.00 0.37 C ATOM 22 C GLU A 2 -7.471 -8.236 -14.765 1.00 0.34 C ATOM 23 O GLU A 2 -6.479 -8.123 -15.489 1.00 0.48 O ATOM 24 CB GLU A 2 -7.113 -10.192 -13.246 1.00 0.53 C ATOM 25 CG GLU A 2 -7.763 -11.395 -12.545 1.00 0.96 C ATOM 26 CD GLU A 2 -7.952 -12.575 -13.495 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.939 -13.188 -13.906 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.112 -12.903 -13.827 1.00 2.16 O ATOM 0 H GLU A 2 -7.026 -10.990 -15.576 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.018 -9.499 -14.022 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.153 -10.495 -13.664 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.909 -9.414 -12.510 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.143 -11.703 -11.703 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.730 -11.099 -12.138 1.00 0.96 H new ATOM 35 N GLY A 3 -8.134 -7.195 -14.283 1.00 0.25 N ATOM 36 CA GLY A 3 -7.730 -5.821 -14.576 1.00 0.28 C ATOM 37 C GLY A 3 -8.742 -4.816 -14.037 1.00 0.22 C ATOM 38 O GLY A 3 -9.666 -5.171 -13.294 1.00 0.22 O ATOM 0 H GLY A 3 -8.957 -7.273 -13.685 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.752 -5.626 -14.136 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.626 -5.693 -15.653 1.00 0.28 H new ATOM 42 N PHE A 4 -8.547 -3.552 -14.408 1.00 0.24 N ATOM 43 CA PHE A 4 -9.413 -2.456 -13.968 1.00 0.21 C ATOM 44 C PHE A 4 -10.681 -2.378 -14.812 1.00 0.22 C ATOM 45 O PHE A 4 -10.674 -2.669 -16.013 1.00 0.27 O ATOM 46 CB PHE A 4 -8.658 -1.123 -14.051 1.00 0.23 C ATOM 47 CG PHE A 4 -7.664 -0.949 -12.930 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.099 -0.752 -11.629 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.308 -0.987 -13.209 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.177 -0.592 -10.611 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.390 -0.825 -12.190 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.859 -0.632 -10.860 1.00 0.41 C ATOM 0 H PHE A 4 -7.787 -3.258 -15.021 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.700 -2.651 -12.935 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.137 -1.064 -15.006 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.374 -0.302 -14.027 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.156 -0.723 -11.411 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.969 -1.143 -14.222 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.523 -0.432 -9.600 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.331 -0.844 -12.399 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.153 -0.518 -10.050 1.00 0.41 H new ATOM 62 N LEU A 5 -11.759 -1.964 -14.165 1.00 0.19 N ATOM 63 CA LEU A 5 -13.063 -1.812 -14.800 1.00 0.21 C ATOM 64 C LEU A 5 -13.816 -0.677 -14.110 1.00 0.20 C ATOM 65 O LEU A 5 -13.718 -0.503 -12.891 1.00 0.21 O ATOM 66 CB LEU A 5 -13.879 -3.114 -14.675 1.00 0.23 C ATOM 67 CG LEU A 5 -13.828 -3.962 -15.949 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.561 -5.284 -15.726 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.428 -3.213 -17.140 1.00 0.31 C ATOM 0 H LEU A 5 -11.756 -1.721 -13.174 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.923 -1.588 -15.857 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.498 -3.699 -13.838 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.916 -2.869 -14.447 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.783 -4.168 -16.179 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.520 -5.881 -16.637 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.085 -5.831 -14.912 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.601 -5.084 -15.470 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.377 -3.842 -18.029 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.469 -2.968 -16.929 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.867 -2.295 -17.313 1.00 0.31 H new ATOM 81 N ASN A 6 -14.606 0.060 -14.877 1.00 0.22 N ATOM 82 CA ASN A 6 -15.426 1.140 -14.325 1.00 0.23 C ATOM 83 C ASN A 6 -16.735 0.499 -13.891 1.00 0.22 C ATOM 84 O ASN A 6 -17.449 -0.056 -14.718 1.00 0.26 O ATOM 85 CB ASN A 6 -15.643 2.250 -15.371 1.00 0.28 C ATOM 86 CG ASN A 6 -15.207 3.607 -14.824 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.035 4.484 -14.570 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.907 3.785 -14.647 1.00 1.24 N ATOM 0 H ASN A 6 -14.700 -0.067 -15.885 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.940 1.623 -13.477 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.079 2.019 -16.274 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.695 2.288 -15.654 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.558 4.674 -14.288 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.254 3.033 -14.870 1.00 1.24 H new ATOM 95 N ARG A 7 -17.008 0.509 -12.587 1.00 0.23 N ATOM 96 CA ARG A 7 -18.203 -0.140 -12.042 1.00 0.24 C ATOM 97 C ARG A 7 -19.240 0.881 -11.587 1.00 0.25 C ATOM 98 O ARG A 7 -18.934 1.808 -10.839 1.00 0.32 O ATOM 99 CB ARG A 7 -17.805 -1.039 -10.864 1.00 0.28 C ATOM 100 CG ARG A 7 -18.971 -1.919 -10.404 1.00 0.34 C ATOM 101 CD ARG A 7 -18.556 -2.847 -9.255 1.00 0.54 C ATOM 102 NE ARG A 7 -19.612 -3.829 -8.983 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.147 -3.987 -7.774 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.999 -3.087 -7.306 1.00 1.71 N ATOM 105 NH2 ARG A 7 -19.800 -5.021 -7.022 1.00 1.46 N ATOM 0 H ARG A 7 -16.419 0.959 -11.887 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.653 -0.740 -12.833 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -16.966 -1.670 -11.155 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.466 -0.421 -10.033 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.800 -1.288 -10.082 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.331 -2.515 -11.242 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -17.630 -3.361 -9.511 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.357 -2.260 -8.359 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.949 -4.412 -9.749 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.244 -2.274 -7.872 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -21.410 -3.207 -6.380 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.121 -5.699 -7.369 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.212 -5.139 -6.096 1.00 1.46 H new ATOM 119 N LYS A 8 -20.473 0.671 -12.027 1.00 0.27 N ATOM 120 CA LYS A 8 -21.605 1.520 -11.672 1.00 0.29 C ATOM 121 C LYS A 8 -22.790 0.607 -11.392 1.00 0.29 C ATOM 122 O LYS A 8 -23.348 0.003 -12.308 1.00 0.38 O ATOM 123 CB LYS A 8 -21.917 2.494 -12.816 1.00 0.36 C ATOM 124 CG LYS A 8 -23.094 3.425 -12.490 1.00 0.37 C ATOM 125 CD LYS A 8 -24.155 3.421 -13.602 1.00 0.50 C ATOM 126 CE LYS A 8 -25.469 2.777 -13.138 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.336 3.749 -12.414 1.00 1.02 N ATOM 0 H LYS A 8 -20.719 -0.101 -12.647 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.379 2.120 -10.790 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.032 3.093 -13.030 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.145 1.928 -13.719 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.552 3.115 -11.551 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.724 4.440 -12.345 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.347 4.444 -13.925 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.772 2.880 -14.467 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.006 2.384 -14.001 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.249 1.931 -12.487 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.334 3.549 -12.626 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.175 3.662 -11.390 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.105 4.716 -12.720 1.00 1.02 H new ATOM 141 N HIS A 9 -23.159 0.485 -10.122 1.00 0.43 N ATOM 142 CA HIS A 9 -24.273 -0.379 -9.722 1.00 0.52 C ATOM 143 C HIS A 9 -25.617 0.288 -10.024 1.00 0.58 C ATOM 144 O HIS A 9 -25.810 1.475 -9.765 1.00 0.73 O ATOM 145 CB HIS A 9 -24.168 -0.767 -8.228 1.00 0.68 C ATOM 146 CG HIS A 9 -24.000 0.381 -7.261 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.955 0.203 -5.903 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.861 1.723 -7.437 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.800 1.343 -5.278 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.739 2.301 -6.186 1.00 1.75 N ATOM 0 H HIS A 9 -22.706 0.972 -9.349 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.214 -1.296 -10.308 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.065 -1.321 -7.952 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.324 -1.446 -8.107 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.032 -0.702 -5.439 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.848 2.243 -8.383 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.734 1.477 -4.208 1.00 1.69 H new ATOM 158 N GLU A 10 -26.537 -0.489 -10.589 1.00 0.60 N ATOM 159 CA GLU A 10 -27.865 -0.003 -10.940 1.00 0.73 C ATOM 160 C GLU A 10 -28.831 -0.275 -9.794 1.00 0.83 C ATOM 161 O GLU A 10 -29.595 0.596 -9.394 1.00 1.00 O ATOM 162 CB GLU A 10 -28.345 -0.701 -12.224 1.00 0.79 C ATOM 163 CG GLU A 10 -27.946 0.087 -13.476 1.00 1.28 C ATOM 164 CD GLU A 10 -28.847 1.305 -13.658 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.895 1.182 -14.322 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.512 2.388 -13.135 1.00 1.52 O ATOM 0 H GLU A 10 -26.382 -1.471 -10.815 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.826 1.072 -11.116 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.921 -1.704 -12.274 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.429 -0.814 -12.194 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.907 0.406 -13.395 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.014 -0.556 -14.353 1.00 1.28 H new ATOM 173 N TRP A 11 -28.788 -1.492 -9.269 1.00 0.82 N ATOM 174 CA TRP A 11 -29.659 -1.893 -8.171 1.00 0.96 C ATOM 175 C TRP A 11 -28.998 -3.020 -7.369 1.00 0.94 C ATOM 176 O TRP A 11 -28.337 -3.905 -7.924 1.00 0.84 O ATOM 177 CB TRP A 11 -31.031 -2.317 -8.748 1.00 1.08 C ATOM 178 CG TRP A 11 -31.846 -3.232 -7.865 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.691 -2.878 -6.849 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.876 -4.673 -7.931 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.221 -4.016 -6.304 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.749 -5.123 -6.937 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.246 -5.614 -8.738 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -32.999 -6.472 -6.735 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.489 -6.963 -8.547 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.358 -7.390 -7.556 1.00 1.53 C ATOM 0 H TRP A 11 -28.154 -2.224 -9.589 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.820 -1.060 -7.487 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.615 -1.419 -8.950 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.867 -2.813 -9.705 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.904 -1.868 -6.530 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.882 -4.032 -5.527 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.567 -5.292 -9.514 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -33.675 -6.800 -5.959 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -30.997 -7.690 -9.176 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -32.538 -8.446 -7.421 1.00 1.53 H new ATOM 197 N GLU A 12 -29.224 -2.977 -6.063 1.00 1.16 N ATOM 198 CA GLU A 12 -28.714 -3.969 -5.116 1.00 1.26 C ATOM 199 C GLU A 12 -29.357 -3.729 -3.748 1.00 1.56 C ATOM 200 O GLU A 12 -29.605 -4.667 -2.992 1.00 2.03 O ATOM 201 CB GLU A 12 -27.181 -3.929 -5.015 1.00 1.34 C ATOM 202 CG GLU A 12 -26.636 -2.506 -4.836 1.00 1.63 C ATOM 203 CD GLU A 12 -25.285 -2.549 -4.135 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.219 -3.012 -2.980 1.00 2.05 O ATOM 205 OE2 GLU A 12 -24.286 -2.114 -4.739 1.00 2.09 O ATOM 0 H GLU A 12 -29.775 -2.241 -5.621 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.978 -4.963 -5.477 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.860 -4.545 -4.175 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.750 -4.368 -5.915 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.535 -2.022 -5.807 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.338 -1.910 -4.253 1.00 1.63 H new ATOM 212 N ALA A 13 -29.647 -2.457 -3.457 1.00 1.77 N ATOM 213 CA ALA A 13 -30.295 -2.056 -2.205 1.00 2.14 C ATOM 214 C ALA A 13 -31.811 -2.058 -2.398 1.00 2.15 C ATOM 215 O ALA A 13 -32.299 -2.137 -3.531 1.00 2.54 O ATOM 216 CB ALA A 13 -29.817 -0.661 -1.789 1.00 2.70 C ATOM 0 H ALA A 13 -29.439 -1.678 -4.082 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.031 -2.762 -1.418 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -30.304 -0.372 -0.858 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -28.737 -0.675 -1.644 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -30.070 0.058 -2.569 1.00 2.70 H new ATOM 222 N HIS A 14 -32.554 -1.984 -1.299 1.00 2.38 N ATOM 223 CA HIS A 14 -34.021 -1.996 -1.345 1.00 2.81 C ATOM 224 C HIS A 14 -34.584 -0.580 -1.202 1.00 2.77 C ATOM 225 O HIS A 14 -34.731 -0.065 -0.090 1.00 3.31 O ATOM 226 CB HIS A 14 -34.566 -2.908 -0.237 1.00 3.51 C ATOM 227 CG HIS A 14 -34.293 -4.365 -0.500 1.00 3.99 C ATOM 228 ND1 HIS A 14 -33.097 -4.978 -0.211 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.058 -5.341 -1.050 1.00 4.33 C ATOM 230 CE1 HIS A 14 -33.117 -6.242 -0.560 1.00 5.34 C ATOM 231 NE2 HIS A 14 -34.307 -6.504 -1.078 1.00 5.13 N ATOM 0 H HIS A 14 -32.166 -1.915 -0.358 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.337 -2.384 -2.313 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -34.118 -2.624 0.715 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.641 -2.755 -0.142 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -36.073 -5.231 -1.403 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -32.306 -6.945 -0.445 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -34.617 -7.407 -1.436 1.00 5.13 H new ATOM 239 N ASN A 15 -34.903 0.030 -2.343 1.00 2.64 N ATOM 240 CA ASN A 15 -35.468 1.379 -2.410 1.00 2.83 C ATOM 241 C ASN A 15 -35.957 1.623 -3.844 1.00 2.48 C ATOM 242 O ASN A 15 -37.159 1.621 -4.111 1.00 2.96 O ATOM 243 CB ASN A 15 -34.423 2.434 -1.988 1.00 3.64 C ATOM 244 CG ASN A 15 -35.071 3.814 -1.839 1.00 4.19 C ATOM 245 OD1 ASN A 15 -34.883 4.698 -2.679 1.00 4.25 O ATOM 246 ND2 ASN A 15 -35.825 4.006 -0.766 1.00 4.99 N ATOM 0 H ASN A 15 -34.775 -0.403 -3.258 1.00 2.64 H new ATOM 0 HA ASN A 15 -36.305 1.468 -1.718 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -33.963 2.140 -1.045 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -33.626 2.480 -2.730 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -36.273 4.909 -0.613 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -35.957 3.250 -0.094 1.00 4.99 H new ATOM 253 N LYS A 16 -35.008 1.797 -4.766 1.00 2.30 N ATOM 254 CA LYS A 16 -35.309 2.012 -6.184 1.00 2.46 C ATOM 255 C LYS A 16 -34.092 1.629 -7.032 1.00 2.10 C ATOM 256 O LYS A 16 -34.183 0.785 -7.924 1.00 2.44 O ATOM 257 CB LYS A 16 -35.703 3.476 -6.436 1.00 3.26 C ATOM 258 CG LYS A 16 -36.484 3.636 -7.746 1.00 3.87 C ATOM 259 CD LYS A 16 -37.943 3.183 -7.595 1.00 4.83 C ATOM 260 CE LYS A 16 -38.391 2.282 -8.751 1.00 5.52 C ATOM 261 NZ LYS A 16 -37.742 0.940 -8.692 1.00 6.03 N ATOM 0 H LYS A 16 -34.011 1.793 -4.552 1.00 2.30 H new ATOM 0 HA LYS A 16 -36.152 1.382 -6.468 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -36.308 3.838 -5.605 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -34.806 4.094 -6.470 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -36.457 4.679 -8.061 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.001 3.054 -8.531 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -38.060 2.648 -6.653 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.591 4.058 -7.547 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -39.474 2.163 -8.721 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -38.149 2.761 -9.700 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -38.145 0.327 -9.429 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -36.719 1.042 -8.848 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -37.909 0.515 -7.758 1.00 6.03 H new ATOM 275 N LYS A 17 -32.954 2.252 -6.736 1.00 1.88 N ATOM 276 CA LYS A 17 -31.698 1.991 -7.447 1.00 1.62 C ATOM 277 C LYS A 17 -30.509 2.386 -6.566 1.00 1.62 C ATOM 278 O LYS A 17 -30.685 2.875 -5.448 1.00 2.06 O ATOM 279 CB LYS A 17 -31.667 2.756 -8.783 1.00 1.84 C ATOM 280 CG LYS A 17 -32.107 4.217 -8.636 1.00 2.30 C ATOM 281 CD LYS A 17 -31.344 5.132 -9.601 1.00 2.75 C ATOM 282 CE LYS A 17 -31.598 4.752 -11.067 1.00 3.27 C ATOM 283 NZ LYS A 17 -30.504 3.902 -11.620 1.00 3.75 N ATOM 0 H LYS A 17 -32.873 2.952 -5.998 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.630 0.926 -7.667 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -30.657 2.724 -9.192 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.318 2.255 -9.500 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.177 4.297 -8.826 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -31.940 4.547 -7.611 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -31.645 6.166 -9.436 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -30.276 5.073 -9.390 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.546 4.219 -11.145 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -31.691 5.658 -11.666 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -30.056 4.390 -12.422 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -29.793 3.727 -10.881 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -30.898 2.996 -11.943 1.00 3.75 H new ATOM 297 N ALA A 18 -29.299 2.163 -7.067 1.00 1.43 N ATOM 298 CA ALA A 18 -28.079 2.485 -6.327 1.00 1.61 C ATOM 299 C ALA A 18 -27.323 3.623 -7.014 1.00 1.86 C ATOM 300 O ALA A 18 -26.627 3.411 -8.006 1.00 2.10 O ATOM 301 CB ALA A 18 -27.198 1.242 -6.223 1.00 1.58 C ATOM 0 H ALA A 18 -29.134 1.758 -7.988 1.00 1.43 H new ATOM 0 HA ALA A 18 -28.348 2.813 -5.323 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.290 1.485 -5.671 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.740 0.454 -5.700 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -26.934 0.898 -7.223 1.00 1.58 H new ATOM 307 N SER A 19 -27.465 4.830 -6.481 1.00 2.24 N ATOM 308 CA SER A 19 -26.797 6.020 -7.026 1.00 2.71 C ATOM 309 C SER A 19 -25.687 6.493 -6.076 1.00 2.85 C ATOM 310 O SER A 19 -25.358 7.682 -6.034 1.00 3.33 O ATOM 311 CB SER A 19 -27.830 7.135 -7.240 1.00 3.28 C ATOM 312 OG SER A 19 -28.898 6.684 -8.067 1.00 3.62 O ATOM 0 H SER A 19 -28.043 5.018 -5.662 1.00 2.24 H new ATOM 0 HA SER A 19 -26.341 5.767 -7.983 1.00 2.71 H new ATOM 0 HB2 SER A 19 -28.223 7.462 -6.277 1.00 3.28 H new ATOM 0 HB3 SER A 19 -27.349 7.999 -7.698 1.00 3.28 H new ATOM 0 HG SER A 19 -29.546 7.409 -8.189 1.00 3.62 H new ATOM 318 N SER A 20 -25.119 5.553 -5.314 1.00 2.92 N ATOM 319 CA SER A 20 -24.051 5.854 -4.355 1.00 3.46 C ATOM 320 C SER A 20 -22.684 5.821 -5.048 1.00 3.36 C ATOM 321 O SER A 20 -22.019 6.852 -5.182 1.00 3.74 O ATOM 322 CB SER A 20 -24.088 4.854 -3.179 1.00 4.13 C ATOM 323 OG SER A 20 -25.252 4.032 -3.227 1.00 4.31 O ATOM 0 H SER A 20 -25.384 4.569 -5.344 1.00 2.92 H new ATOM 0 HA SER A 20 -24.211 6.857 -3.960 1.00 3.46 H new ATOM 0 HB2 SER A 20 -23.197 4.227 -3.206 1.00 4.13 H new ATOM 0 HB3 SER A 20 -24.065 5.400 -2.236 1.00 4.13 H new ATOM 0 HG SER A 20 -25.244 3.409 -2.470 1.00 4.31 H new ATOM 329 N ARG A 21 -22.277 4.636 -5.503 1.00 3.28 N ATOM 330 CA ARG A 21 -20.998 4.455 -6.198 1.00 3.37 C ATOM 331 C ARG A 21 -21.226 4.550 -7.708 1.00 2.30 C ATOM 332 O ARG A 21 -21.035 3.579 -8.446 1.00 2.78 O ATOM 333 CB ARG A 21 -20.385 3.096 -5.827 1.00 4.44 C ATOM 334 CG ARG A 21 -20.132 2.975 -4.316 1.00 5.18 C ATOM 335 CD ARG A 21 -18.694 3.362 -3.938 1.00 5.89 C ATOM 336 NE ARG A 21 -18.661 4.646 -3.229 1.00 6.25 N ATOM 337 CZ ARG A 21 -17.520 5.293 -3.004 1.00 6.92 C ATOM 338 NH1 ARG A 21 -16.563 4.715 -2.285 1.00 7.30 N ATOM 339 NH2 ARG A 21 -17.334 6.508 -3.507 1.00 7.43 N ATOM 0 H ARG A 21 -22.819 3.778 -5.402 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.302 5.237 -5.894 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -21.053 2.297 -6.148 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -19.446 2.962 -6.364 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.832 3.615 -3.779 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -20.327 1.951 -3.997 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -18.258 2.585 -3.310 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -18.082 3.424 -4.838 1.00 5.89 H new ATOM 0 HE ARG A 21 -19.536 5.054 -2.900 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -16.704 3.778 -1.907 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -15.687 5.208 -2.111 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -18.066 6.946 -4.066 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -16.459 7.003 -3.334 1.00 7.43 H new ATOM 353 N SER A 22 -21.657 5.730 -8.150 1.00 1.32 N ATOM 354 CA SER A 22 -21.943 5.990 -9.564 1.00 0.74 C ATOM 355 C SER A 22 -20.642 6.135 -10.360 1.00 0.68 C ATOM 356 O SER A 22 -19.973 7.166 -10.285 1.00 1.69 O ATOM 357 CB SER A 22 -22.809 7.260 -9.707 1.00 1.62 C ATOM 358 OG SER A 22 -22.775 8.050 -8.519 1.00 1.86 O ATOM 0 H SER A 22 -21.818 6.533 -7.541 1.00 1.32 H new ATOM 0 HA SER A 22 -22.497 5.142 -9.968 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.453 7.852 -10.550 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.838 6.977 -9.928 1.00 1.62 H new ATOM 0 HG SER A 22 -23.331 8.848 -8.641 1.00 1.86 H new ATOM 364 N TRP A 23 -20.303 5.086 -11.113 1.00 0.69 N ATOM 365 CA TRP A 23 -19.092 5.035 -11.948 1.00 0.41 C ATOM 366 C TRP A 23 -17.829 5.191 -11.103 1.00 0.40 C ATOM 367 O TRP A 23 -17.228 6.267 -11.027 1.00 0.55 O ATOM 368 CB TRP A 23 -19.160 6.074 -13.086 1.00 0.43 C ATOM 369 CG TRP A 23 -20.105 5.638 -14.174 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.235 6.276 -14.603 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.999 4.432 -14.949 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.816 5.519 -15.587 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.087 4.390 -15.824 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.083 3.387 -14.974 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.276 3.335 -16.708 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.256 2.335 -15.849 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.343 2.305 -16.714 1.00 0.31 C ATOM 0 H TRP A 23 -20.865 4.237 -11.163 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.043 4.050 -12.413 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.484 7.034 -12.685 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.165 6.222 -13.505 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.608 7.218 -14.229 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.677 5.766 -16.076 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.234 3.399 -14.307 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.126 3.316 -17.374 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.540 1.527 -15.862 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.464 1.476 -17.395 1.00 0.31 H new ATOM 388 N HIS A 24 -17.448 4.087 -10.464 1.00 0.37 N ATOM 389 CA HIS A 24 -16.275 4.015 -9.601 1.00 0.45 C ATOM 390 C HIS A 24 -15.227 3.085 -10.227 1.00 0.36 C ATOM 391 O HIS A 24 -15.551 1.978 -10.671 1.00 0.34 O ATOM 392 CB HIS A 24 -16.714 3.483 -8.224 1.00 0.61 C ATOM 393 CG HIS A 24 -15.672 3.628 -7.159 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.650 4.659 -6.258 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.602 2.864 -6.846 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.633 4.545 -5.439 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.966 3.450 -5.770 1.00 2.74 N ATOM 0 H HIS A 24 -17.955 3.204 -10.534 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.830 5.003 -9.485 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.615 4.011 -7.912 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.978 2.430 -8.319 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.334 5.415 -6.228 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.299 1.957 -7.348 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.383 5.224 -4.637 1.00 2.98 H new ATOM 405 N ASN A 25 -13.974 3.533 -10.251 1.00 0.37 N ATOM 406 CA ASN A 25 -12.861 2.750 -10.807 1.00 0.35 C ATOM 407 C ASN A 25 -12.492 1.634 -9.820 1.00 0.34 C ATOM 408 O ASN A 25 -11.982 1.906 -8.731 1.00 0.55 O ATOM 409 CB ASN A 25 -11.661 3.681 -11.052 1.00 0.44 C ATOM 410 CG ASN A 25 -10.562 2.986 -11.860 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.610 2.951 -13.090 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.568 2.439 -11.172 1.00 1.49 N ATOM 0 H ASN A 25 -13.697 4.445 -9.888 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.151 2.298 -11.756 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.994 4.573 -11.583 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.256 4.012 -10.096 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.807 1.968 -11.662 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.565 2.489 -10.153 1.00 1.49 H new ATOM 419 N VAL A 26 -12.782 0.389 -10.193 1.00 0.22 N ATOM 420 CA VAL A 26 -12.518 -0.771 -9.336 1.00 0.21 C ATOM 421 C VAL A 26 -11.829 -1.889 -10.133 1.00 0.18 C ATOM 422 O VAL A 26 -11.771 -1.846 -11.366 1.00 0.23 O ATOM 423 CB VAL A 26 -13.857 -1.256 -8.733 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.671 -2.073 -9.741 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.638 -2.065 -7.458 1.00 0.31 C ATOM 0 H VAL A 26 -13.204 0.154 -11.091 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.842 -0.488 -8.529 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.427 -0.362 -8.480 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.604 -2.395 -9.279 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.891 -1.459 -10.614 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.097 -2.947 -10.048 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.601 -2.389 -7.063 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.025 -2.938 -7.682 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.131 -1.447 -6.717 1.00 0.31 H new ATOM 435 N TYR A 27 -11.321 -2.890 -9.418 1.00 0.16 N ATOM 436 CA TYR A 27 -10.648 -4.040 -10.028 1.00 0.16 C ATOM 437 C TYR A 27 -11.586 -5.242 -10.012 1.00 0.19 C ATOM 438 O TYR A 27 -12.279 -5.484 -9.017 1.00 0.34 O ATOM 439 CB TYR A 27 -9.359 -4.369 -9.263 1.00 0.17 C ATOM 440 CG TYR A 27 -8.341 -5.118 -10.096 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.573 -4.448 -11.039 1.00 0.28 C ATOM 442 CD2 TYR A 27 -8.182 -6.483 -9.927 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.655 -5.146 -11.810 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.262 -7.175 -10.694 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.458 -6.472 -11.605 1.00 0.29 C ATOM 446 OH TYR A 27 -5.597 -7.194 -12.408 1.00 0.37 O ATOM 0 H TYR A 27 -11.363 -2.929 -8.400 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.387 -3.797 -11.058 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.912 -3.442 -8.903 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.608 -4.965 -8.385 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.690 -3.383 -11.172 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.777 -7.008 -9.195 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -6.095 -4.631 -12.577 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -7.163 -8.246 -10.593 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.315 -8.006 -11.938 1.00 0.37 H new ATOM 456 N CYS A 28 -11.610 -5.987 -11.113 1.00 0.16 N ATOM 457 CA CYS A 28 -12.467 -7.169 -11.240 1.00 0.19 C ATOM 458 C CYS A 28 -11.636 -8.391 -11.626 1.00 0.19 C ATOM 459 O CYS A 28 -10.736 -8.306 -12.466 1.00 0.23 O ATOM 460 CB CYS A 28 -13.555 -6.912 -12.287 1.00 0.23 C ATOM 461 SG CYS A 28 -14.649 -5.559 -11.816 1.00 0.34 S ATOM 0 H CYS A 28 -11.042 -5.794 -11.938 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.941 -7.366 -10.278 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.088 -6.682 -13.245 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.142 -7.819 -12.428 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.726 -5.598 -12.544 1.00 0.34 H new ATOM 467 N VAL A 29 -11.945 -9.519 -10.994 1.00 0.21 N ATOM 468 CA VAL A 29 -11.251 -10.788 -11.229 1.00 0.24 C ATOM 469 C VAL A 29 -12.279 -11.902 -11.429 1.00 0.26 C ATOM 470 O VAL A 29 -13.332 -11.888 -10.792 1.00 0.38 O ATOM 471 CB VAL A 29 -10.354 -11.103 -10.015 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.722 -12.494 -10.119 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.263 -10.040 -9.853 1.00 0.33 C ATOM 0 H VAL A 29 -12.689 -9.582 -10.299 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.633 -10.715 -12.124 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.994 -11.091 -9.132 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -9.098 -12.676 -9.244 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.508 -13.248 -10.168 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -9.110 -12.549 -11.019 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.643 -10.284 -8.990 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.644 -10.015 -10.750 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.725 -9.064 -9.704 1.00 0.33 H new ATOM 483 N ILE A 30 -11.967 -12.868 -12.299 1.00 0.28 N ATOM 484 CA ILE A 30 -12.864 -14.003 -12.566 1.00 0.32 C ATOM 485 C ILE A 30 -12.168 -15.312 -12.184 1.00 0.35 C ATOM 486 O ILE A 30 -11.141 -15.670 -12.767 1.00 0.44 O ATOM 487 CB ILE A 30 -13.285 -14.037 -14.045 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.715 -12.648 -14.527 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.428 -15.037 -14.241 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.156 -12.663 -15.994 1.00 0.57 C ATOM 0 H ILE A 30 -11.098 -12.889 -12.833 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.764 -13.883 -11.962 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.426 -14.352 -14.637 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.534 -12.286 -13.906 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.888 -11.949 -14.404 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.720 -15.055 -15.291 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.098 -16.031 -13.939 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.281 -14.738 -13.632 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.453 -11.658 -16.295 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.329 -13.000 -16.619 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.001 -13.342 -16.113 1.00 0.57 H new ATOM 502 N ASN A 31 -12.741 -16.024 -11.210 1.00 0.46 N ATOM 503 CA ASN A 31 -12.206 -17.303 -10.733 1.00 0.58 C ATOM 504 C ASN A 31 -13.217 -18.412 -11.043 1.00 0.71 C ATOM 505 O ASN A 31 -14.042 -18.773 -10.199 1.00 1.20 O ATOM 506 CB ASN A 31 -11.917 -17.224 -9.218 1.00 0.73 C ATOM 507 CG ASN A 31 -11.142 -18.456 -8.735 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.159 -18.868 -9.352 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.577 -19.043 -7.631 1.00 1.47 N ATOM 0 H ASN A 31 -13.591 -15.730 -10.729 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.268 -17.527 -11.241 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.344 -16.323 -9.001 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.856 -17.144 -8.670 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.094 -19.864 -7.266 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.395 -18.674 -7.146 1.00 1.47 H new ATOM 516 N ASN A 32 -13.153 -18.928 -12.274 1.00 0.85 N ATOM 517 CA ASN A 32 -14.049 -19.991 -12.756 1.00 1.00 C ATOM 518 C ASN A 32 -15.466 -19.436 -12.973 1.00 1.00 C ATOM 519 O ASN A 32 -15.802 -18.987 -14.071 1.00 1.97 O ATOM 520 CB ASN A 32 -14.046 -21.188 -11.779 1.00 1.24 C ATOM 521 CG ASN A 32 -14.455 -22.487 -12.485 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.205 -22.471 -13.458 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.959 -23.610 -11.992 1.00 2.52 N ATOM 0 H ASN A 32 -12.475 -18.620 -12.971 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.684 -20.353 -13.717 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.052 -21.304 -11.347 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.731 -20.989 -10.955 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.196 -24.504 -12.422 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.339 -23.582 -11.182 1.00 2.52 H new ATOM 530 N GLN A 33 -16.285 -19.455 -11.918 1.00 0.75 N ATOM 531 CA GLN A 33 -17.663 -18.950 -11.980 1.00 0.67 C ATOM 532 C GLN A 33 -17.912 -17.894 -10.895 1.00 0.56 C ATOM 533 O GLN A 33 -19.013 -17.327 -10.835 1.00 0.71 O ATOM 534 CB GLN A 33 -18.662 -20.102 -11.817 1.00 0.83 C ATOM 535 CG GLN A 33 -18.347 -21.255 -12.774 1.00 1.46 C ATOM 536 CD GLN A 33 -19.483 -22.273 -12.777 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.616 -23.072 -11.849 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.304 -22.249 -13.815 1.00 2.67 N ATOM 0 H GLN A 33 -16.017 -19.817 -11.003 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.805 -18.486 -12.956 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.638 -20.464 -10.789 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.672 -19.738 -12.003 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.195 -20.868 -13.782 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.417 -21.740 -12.475 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.160 -21.571 -14.564 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.081 -22.908 -13.866 1.00 2.67 H new ATOM 547 N GLU A 34 -16.891 -17.634 -10.051 1.00 0.53 N ATOM 548 CA GLU A 34 -16.983 -16.651 -8.972 1.00 0.49 C ATOM 549 C GLU A 34 -16.095 -15.453 -9.312 1.00 0.45 C ATOM 550 O GLU A 34 -14.891 -15.611 -9.530 1.00 0.64 O ATOM 551 CB GLU A 34 -16.533 -17.284 -7.642 1.00 0.61 C ATOM 552 CG GLU A 34 -17.641 -17.228 -6.580 1.00 1.25 C ATOM 553 CD GLU A 34 -18.457 -18.514 -6.585 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.930 -19.562 -6.166 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.630 -18.481 -7.013 1.00 1.79 O ATOM 0 H GLU A 34 -15.987 -18.102 -10.105 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.016 -16.320 -8.865 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.245 -18.321 -7.812 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.649 -16.764 -7.273 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.200 -17.075 -5.595 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.294 -16.377 -6.773 1.00 1.25 H new ATOM 562 N MET A 35 -16.678 -14.256 -9.337 1.00 0.36 N ATOM 563 CA MET A 35 -15.928 -13.037 -9.629 1.00 0.35 C ATOM 564 C MET A 35 -15.612 -12.314 -8.318 1.00 0.32 C ATOM 565 O MET A 35 -16.442 -12.279 -7.409 1.00 0.42 O ATOM 566 CB MET A 35 -16.706 -12.133 -10.607 1.00 0.41 C ATOM 567 CG MET A 35 -17.908 -11.438 -9.961 1.00 0.43 C ATOM 568 SD MET A 35 -18.792 -10.366 -11.113 1.00 0.60 S ATOM 569 CE MET A 35 -17.530 -9.144 -11.510 1.00 1.25 C ATOM 0 H MET A 35 -17.671 -14.105 -9.158 1.00 0.36 H new ATOM 0 HA MET A 35 -14.989 -13.296 -10.118 1.00 0.35 H new ATOM 0 HB2 MET A 35 -16.031 -11.378 -11.009 1.00 0.41 H new ATOM 0 HB3 MET A 35 -17.051 -12.733 -11.449 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.593 -12.192 -9.573 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.568 -10.848 -9.110 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.008 -8.205 -11.789 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.893 -8.983 -10.640 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.924 -9.504 -12.342 1.00 1.25 H new ATOM 579 N GLY A 36 -14.408 -11.764 -8.223 1.00 0.27 N ATOM 580 CA GLY A 36 -13.963 -11.061 -7.019 1.00 0.29 C ATOM 581 C GLY A 36 -13.744 -9.575 -7.296 1.00 0.25 C ATOM 582 O GLY A 36 -13.142 -9.205 -8.311 1.00 0.28 O ATOM 0 H GLY A 36 -13.715 -11.790 -8.971 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.705 -11.181 -6.230 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.037 -11.506 -6.656 1.00 0.29 H new ATOM 586 N PHE A 37 -14.229 -8.735 -6.380 1.00 0.24 N ATOM 587 CA PHE A 37 -14.097 -7.278 -6.481 1.00 0.25 C ATOM 588 C PHE A 37 -12.983 -6.801 -5.552 1.00 0.25 C ATOM 589 O PHE A 37 -12.939 -7.179 -4.379 1.00 0.40 O ATOM 590 CB PHE A 37 -15.412 -6.593 -6.099 1.00 0.30 C ATOM 591 CG PHE A 37 -16.493 -6.773 -7.139 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.433 -6.081 -8.339 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.553 -7.631 -6.890 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.429 -6.247 -9.286 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.548 -7.796 -7.835 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.465 -7.099 -9.059 1.00 0.33 C ATOM 0 H PHE A 37 -14.726 -9.045 -5.545 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.853 -7.018 -7.511 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.761 -6.993 -5.147 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.231 -5.528 -5.951 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.608 -5.412 -8.535 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.601 -8.171 -5.956 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.383 -5.695 -10.213 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.382 -8.453 -7.638 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.223 -7.242 -9.815 1.00 0.33 H new ATOM 606 N TYR A 38 -12.086 -5.977 -6.079 1.00 0.20 N ATOM 607 CA TYR A 38 -10.957 -5.450 -5.304 1.00 0.21 C ATOM 608 C TYR A 38 -10.641 -4.015 -5.724 1.00 0.21 C ATOM 609 O TYR A 38 -11.203 -3.504 -6.695 1.00 0.23 O ATOM 610 CB TYR A 38 -9.727 -6.339 -5.525 1.00 0.23 C ATOM 611 CG TYR A 38 -9.963 -7.781 -5.134 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.870 -8.157 -3.808 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.280 -8.724 -6.099 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.092 -9.471 -3.442 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.501 -10.040 -5.733 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.406 -10.409 -4.406 1.00 0.44 C ATOM 617 OH TYR A 38 -10.626 -11.720 -4.043 1.00 0.55 O ATOM 0 H TYR A 38 -12.115 -5.654 -7.046 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.224 -5.450 -4.247 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.438 -6.296 -6.575 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.891 -5.944 -4.948 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.623 -7.422 -3.056 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.354 -8.432 -7.136 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.020 -9.764 -2.405 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.747 -10.777 -6.483 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.837 -12.249 -4.840 1.00 0.55 H new ATOM 627 N LYS A 39 -9.729 -3.370 -4.995 1.00 0.25 N ATOM 628 CA LYS A 39 -9.323 -1.992 -5.293 1.00 0.29 C ATOM 629 C LYS A 39 -8.461 -1.959 -6.565 1.00 0.28 C ATOM 630 O LYS A 39 -8.820 -1.304 -7.545 1.00 0.33 O ATOM 631 CB LYS A 39 -8.569 -1.400 -4.091 1.00 0.36 C ATOM 632 CG LYS A 39 -8.899 0.082 -3.888 1.00 0.70 C ATOM 633 CD LYS A 39 -8.360 0.945 -5.030 1.00 1.15 C ATOM 634 CE LYS A 39 -7.798 2.273 -4.520 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.396 2.126 -4.026 1.00 2.51 N ATOM 0 H LYS A 39 -9.255 -3.780 -4.190 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.209 -1.383 -5.473 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.827 -1.957 -3.190 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.496 -1.516 -4.242 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -9.979 0.207 -3.816 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.475 0.423 -2.943 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.580 0.400 -5.561 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.158 1.139 -5.747 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.826 3.012 -5.321 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.430 2.651 -3.716 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.888 3.025 -4.152 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.408 1.873 -3.017 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.915 1.378 -4.565 1.00 2.51 H new ATOM 649 N ASP A 40 -7.344 -2.691 -6.545 1.00 0.28 N ATOM 650 CA ASP A 40 -6.429 -2.781 -7.702 1.00 0.32 C ATOM 651 C ASP A 40 -5.996 -4.235 -7.894 1.00 0.33 C ATOM 652 O ASP A 40 -6.582 -5.154 -7.317 1.00 0.32 O ATOM 653 CB ASP A 40 -5.163 -1.920 -7.519 1.00 0.38 C ATOM 654 CG ASP A 40 -5.469 -0.501 -7.037 1.00 0.57 C ATOM 655 OD1 ASP A 40 -5.969 0.317 -7.833 1.00 0.94 O ATOM 656 OD2 ASP A 40 -5.180 -0.197 -5.862 1.00 0.84 O ATOM 0 H ASP A 40 -7.044 -3.236 -5.737 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.972 -2.410 -8.571 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.500 -2.406 -6.803 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -4.626 -1.868 -8.466 1.00 0.38 H new ATOM 661 N ALA A 41 -4.933 -4.431 -8.680 1.00 0.40 N ATOM 662 CA ALA A 41 -4.371 -5.761 -8.936 1.00 0.45 C ATOM 663 C ALA A 41 -3.651 -6.260 -7.681 1.00 0.45 C ATOM 664 O ALA A 41 -3.751 -7.434 -7.320 1.00 0.47 O ATOM 665 CB ALA A 41 -3.409 -5.713 -10.129 1.00 0.55 C ATOM 0 H ALA A 41 -4.439 -3.675 -9.155 1.00 0.40 H new ATOM 0 HA ALA A 41 -5.178 -6.452 -9.180 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -3.000 -6.708 -10.307 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.946 -5.378 -11.016 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.596 -5.020 -9.913 1.00 0.55 H new ATOM 671 N LYS A 42 -2.955 -5.339 -6.996 1.00 0.46 N ATOM 672 CA LYS A 42 -2.243 -5.653 -5.750 1.00 0.48 C ATOM 673 C LYS A 42 -3.243 -6.135 -4.693 1.00 0.43 C ATOM 674 O LYS A 42 -2.973 -7.080 -3.952 1.00 0.47 O ATOM 675 CB LYS A 42 -1.497 -4.414 -5.233 1.00 0.54 C ATOM 676 CG LYS A 42 -0.453 -3.912 -6.234 1.00 0.77 C ATOM 677 CD LYS A 42 0.676 -3.146 -5.531 1.00 1.12 C ATOM 678 CE LYS A 42 1.052 -1.866 -6.287 1.00 1.96 C ATOM 679 NZ LYS A 42 0.054 -0.780 -6.063 1.00 2.76 N ATOM 0 H LYS A 42 -2.871 -4.365 -7.288 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.516 -6.441 -5.949 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.214 -3.619 -5.028 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.008 -4.653 -4.289 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.035 -4.757 -6.781 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.933 -3.264 -6.967 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.366 -2.892 -4.517 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.552 -3.788 -5.445 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.036 -1.528 -5.963 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.123 -2.081 -7.353 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 0.341 0.070 -6.590 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.880 -1.093 -6.395 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.004 -0.558 -5.048 1.00 2.76 H new ATOM 693 N SER A 43 -4.410 -5.480 -4.654 1.00 0.38 N ATOM 694 CA SER A 43 -5.488 -5.814 -3.719 1.00 0.38 C ATOM 695 C SER A 43 -6.078 -7.201 -4.022 1.00 0.39 C ATOM 696 O SER A 43 -6.452 -7.936 -3.108 1.00 0.45 O ATOM 697 CB SER A 43 -6.592 -4.757 -3.809 1.00 0.37 C ATOM 698 OG SER A 43 -6.039 -3.450 -3.867 1.00 1.04 O ATOM 0 H SER A 43 -4.632 -4.701 -5.273 1.00 0.38 H new ATOM 0 HA SER A 43 -5.072 -5.832 -2.712 1.00 0.38 H new ATOM 0 HB2 SER A 43 -7.202 -4.937 -4.694 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.251 -4.839 -2.945 1.00 0.37 H new ATOM 0 HG SER A 43 -6.228 -2.977 -3.030 1.00 1.04 H new ATOM 704 N ALA A 44 -6.157 -7.546 -5.311 1.00 0.37 N ATOM 705 CA ALA A 44 -6.696 -8.840 -5.750 1.00 0.43 C ATOM 706 C ALA A 44 -5.734 -9.977 -5.402 1.00 0.51 C ATOM 707 O ALA A 44 -6.163 -11.063 -5.004 1.00 0.59 O ATOM 708 CB ALA A 44 -6.952 -8.814 -7.258 1.00 0.43 C ATOM 0 H ALA A 44 -5.852 -6.943 -6.075 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.637 -9.015 -5.228 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.352 -9.777 -7.576 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.670 -8.028 -7.492 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -6.017 -8.618 -7.782 1.00 0.43 H new ATOM 714 N ALA A 45 -4.435 -9.717 -5.553 1.00 0.54 N ATOM 715 CA ALA A 45 -3.397 -10.709 -5.253 1.00 0.64 C ATOM 716 C ALA A 45 -3.302 -10.960 -3.744 1.00 0.68 C ATOM 717 O ALA A 45 -3.238 -12.108 -3.303 1.00 0.76 O ATOM 718 CB ALA A 45 -2.048 -10.232 -5.791 1.00 0.69 C ATOM 0 H ALA A 45 -4.073 -8.822 -5.883 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.666 -11.646 -5.740 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.283 -10.974 -5.564 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.114 -10.097 -6.871 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.784 -9.284 -5.322 1.00 0.69 H new ATOM 724 N SER A 46 -3.311 -9.879 -2.961 1.00 0.65 N ATOM 725 CA SER A 46 -3.245 -9.967 -1.496 1.00 0.73 C ATOM 726 C SER A 46 -4.541 -10.571 -0.942 1.00 0.74 C ATOM 727 O SER A 46 -4.516 -11.520 -0.160 1.00 0.84 O ATOM 728 CB SER A 46 -3.032 -8.567 -0.897 1.00 0.75 C ATOM 729 OG SER A 46 -3.831 -7.603 -1.570 1.00 1.21 O ATOM 0 H SER A 46 -3.364 -8.925 -3.318 1.00 0.65 H new ATOM 0 HA SER A 46 -2.408 -10.609 -1.222 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.284 -8.578 0.163 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.980 -8.291 -0.972 1.00 0.75 H new ATOM 0 HG SER A 46 -3.316 -7.206 -2.303 1.00 1.21 H new ATOM 735 N GLY A 47 -5.668 -9.993 -1.355 1.00 0.70 N ATOM 736 CA GLY A 47 -6.993 -10.430 -0.918 1.00 0.74 C ATOM 737 C GLY A 47 -7.543 -9.455 0.117 1.00 0.75 C ATOM 738 O GLY A 47 -7.972 -9.857 1.201 1.00 0.88 O ATOM 0 H GLY A 47 -5.688 -9.206 -2.004 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.668 -10.486 -1.772 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.934 -11.432 -0.492 1.00 0.74 H new ATOM 742 N ILE A 48 -7.514 -8.168 -0.225 1.00 0.67 N ATOM 743 CA ILE A 48 -7.997 -7.105 0.656 1.00 0.72 C ATOM 744 C ILE A 48 -9.405 -6.690 0.209 1.00 0.75 C ATOM 745 O ILE A 48 -9.609 -6.302 -0.945 1.00 0.75 O ATOM 746 CB ILE A 48 -7.017 -5.918 0.617 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.660 -6.339 1.210 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.569 -4.717 1.388 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.490 -5.639 0.524 1.00 0.97 C ATOM 0 H ILE A 48 -7.156 -7.833 -1.119 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.052 -7.458 1.686 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.885 -5.623 -0.424 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.644 -6.110 2.276 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.542 -7.418 1.114 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.854 -3.895 1.342 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.513 -4.402 0.944 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.733 -4.997 2.429 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.554 -5.967 0.976 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.488 -5.889 -0.537 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.591 -4.560 0.643 1.00 0.97 H new ATOM 761 N PRO A 49 -10.403 -6.787 1.112 1.00 0.84 N ATOM 762 CA PRO A 49 -11.808 -6.446 0.796 1.00 0.93 C ATOM 763 C PRO A 49 -12.039 -4.943 0.599 1.00 0.93 C ATOM 764 O PRO A 49 -11.886 -4.151 1.533 1.00 1.08 O ATOM 765 CB PRO A 49 -12.594 -6.968 2.002 1.00 1.07 C ATOM 766 CG PRO A 49 -11.613 -7.001 3.127 1.00 1.06 C ATOM 767 CD PRO A 49 -10.258 -7.255 2.507 1.00 0.92 C ATOM 0 HA PRO A 49 -12.118 -6.889 -0.150 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.437 -6.317 2.234 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.002 -7.960 1.806 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.619 -6.058 3.674 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.867 -7.785 3.840 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.472 -6.710 3.030 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.994 -8.312 2.547 1.00 0.92 H new ATOM 775 N TYR A 50 -12.421 -4.561 -0.620 1.00 0.87 N ATOM 776 CA TYR A 50 -12.698 -3.155 -0.954 1.00 0.91 C ATOM 777 C TYR A 50 -14.201 -2.861 -0.824 1.00 1.12 C ATOM 778 O TYR A 50 -14.605 -1.719 -0.589 1.00 1.91 O ATOM 779 CB TYR A 50 -12.216 -2.839 -2.380 1.00 0.92 C ATOM 780 CG TYR A 50 -12.306 -1.363 -2.714 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.634 -0.439 -1.933 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.077 -0.932 -3.781 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.736 0.912 -2.215 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.172 0.420 -4.066 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.503 1.335 -3.279 1.00 1.17 C ATOM 786 OH TYR A 50 -12.604 2.682 -3.547 1.00 1.34 O ATOM 0 H TYR A 50 -12.547 -5.206 -1.400 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.156 -2.519 -0.254 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.184 -3.170 -2.492 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.812 -3.406 -3.095 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.029 -0.773 -1.103 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.604 -1.651 -4.391 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.216 1.633 -1.603 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.768 0.757 -4.901 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.743 2.815 -4.508 1.00 1.34 H new ATOM 796 N HIS A 51 -15.014 -3.911 -0.964 1.00 1.28 N ATOM 797 CA HIS A 51 -16.477 -3.823 -0.856 1.00 1.53 C ATOM 798 C HIS A 51 -16.956 -4.818 0.204 1.00 1.61 C ATOM 799 O HIS A 51 -16.160 -5.602 0.738 1.00 2.07 O ATOM 800 CB HIS A 51 -17.127 -4.145 -2.218 1.00 2.01 C ATOM 801 CG HIS A 51 -17.130 -2.981 -3.166 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.126 -2.040 -3.203 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.253 -2.596 -4.128 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.889 -1.135 -4.121 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.745 -1.442 -4.711 1.00 3.74 N ATOM 0 H HIS A 51 -14.676 -4.854 -1.157 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.765 -2.812 -0.566 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.595 -4.978 -2.678 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.153 -4.473 -2.054 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.335 -3.101 -4.391 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.517 -0.288 -4.355 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.302 -0.918 -5.466 1.00 3.74 H new ATOM 813 N SER A 52 -18.255 -4.789 0.501 1.00 1.60 N ATOM 814 CA SER A 52 -18.862 -5.690 1.493 1.00 1.96 C ATOM 815 C SER A 52 -18.817 -7.136 0.982 1.00 1.85 C ATOM 816 O SER A 52 -18.236 -8.016 1.621 1.00 2.45 O ATOM 817 CB SER A 52 -20.313 -5.258 1.785 1.00 2.44 C ATOM 818 OG SER A 52 -20.827 -4.423 0.748 1.00 2.65 O ATOM 0 H SER A 52 -18.917 -4.146 0.066 1.00 1.60 H new ATOM 0 HA SER A 52 -18.295 -5.633 2.422 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.943 -6.141 1.889 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.351 -4.726 2.735 1.00 2.44 H new ATOM 0 HG SER A 52 -20.934 -4.948 -0.072 1.00 2.65 H new ATOM 824 N GLU A 53 -19.423 -7.359 -0.185 1.00 1.45 N ATOM 825 CA GLU A 53 -19.456 -8.675 -0.823 1.00 1.37 C ATOM 826 C GLU A 53 -18.333 -8.756 -1.856 1.00 1.08 C ATOM 827 O GLU A 53 -18.438 -8.187 -2.946 1.00 1.24 O ATOM 828 CB GLU A 53 -20.811 -8.896 -1.505 1.00 1.73 C ATOM 829 CG GLU A 53 -21.983 -8.575 -0.570 1.00 2.39 C ATOM 830 CD GLU A 53 -22.575 -7.202 -0.877 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.810 -6.217 -0.909 1.00 3.23 O ATOM 832 OE2 GLU A 53 -23.801 -7.104 -1.099 1.00 3.46 O ATOM 0 H GLU A 53 -19.905 -6.632 -0.714 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.317 -9.449 -0.068 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.875 -8.270 -2.395 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.885 -9.931 -1.837 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.754 -9.338 -0.675 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.644 -8.604 0.466 1.00 2.39 H new ATOM 839 N VAL A 54 -17.248 -9.442 -1.501 1.00 0.84 N ATOM 840 CA VAL A 54 -16.090 -9.574 -2.394 1.00 0.66 C ATOM 841 C VAL A 54 -16.318 -10.671 -3.443 1.00 0.55 C ATOM 842 O VAL A 54 -16.120 -10.424 -4.630 1.00 0.49 O ATOM 843 CB VAL A 54 -14.793 -9.839 -1.592 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.563 -9.395 -2.389 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.823 -9.106 -0.248 1.00 1.34 C ATOM 0 H VAL A 54 -17.143 -9.916 -0.604 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.972 -8.627 -2.921 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.731 -10.912 -1.408 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.662 -9.590 -1.807 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.517 -9.950 -3.326 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.633 -8.328 -2.602 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.901 -9.308 0.297 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.915 -8.034 -0.420 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.674 -9.454 0.337 1.00 1.34 H new ATOM 855 N PRO A 55 -16.736 -11.896 -3.038 1.00 0.62 N ATOM 856 CA PRO A 55 -16.970 -13.005 -3.974 1.00 0.59 C ATOM 857 C PRO A 55 -18.424 -13.042 -4.469 1.00 0.58 C ATOM 858 O PRO A 55 -19.346 -13.295 -3.689 1.00 0.83 O ATOM 859 CB PRO A 55 -16.649 -14.240 -3.133 1.00 0.76 C ATOM 860 CG PRO A 55 -16.872 -13.834 -1.701 1.00 0.87 C ATOM 861 CD PRO A 55 -17.014 -12.326 -1.657 1.00 0.83 C ATOM 0 HA PRO A 55 -16.367 -12.924 -4.878 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.292 -15.077 -3.406 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.620 -14.564 -3.291 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.768 -14.313 -1.305 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.037 -14.156 -1.079 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.014 -12.029 -1.341 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.312 -11.880 -0.952 1.00 0.83 H new ATOM 869 N VAL A 56 -18.618 -12.794 -5.761 1.00 0.41 N ATOM 870 CA VAL A 56 -19.950 -12.800 -6.371 1.00 0.43 C ATOM 871 C VAL A 56 -20.031 -13.916 -7.409 1.00 0.42 C ATOM 872 O VAL A 56 -19.139 -14.068 -8.241 1.00 0.43 O ATOM 873 CB VAL A 56 -20.232 -11.437 -7.015 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.532 -11.456 -7.822 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.304 -10.353 -5.940 1.00 0.63 C ATOM 0 H VAL A 56 -17.863 -12.584 -6.414 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.704 -12.981 -5.605 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.413 -11.217 -7.700 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.700 -10.474 -8.264 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.458 -12.202 -8.613 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.365 -11.705 -7.164 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.505 -9.389 -6.408 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.104 -10.589 -5.238 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.355 -10.306 -5.406 1.00 0.63 H new ATOM 885 N SER A 57 -21.102 -14.701 -7.346 1.00 0.47 N ATOM 886 CA SER A 57 -21.315 -15.813 -8.259 1.00 0.48 C ATOM 887 C SER A 57 -21.799 -15.322 -9.627 1.00 0.46 C ATOM 888 O SER A 57 -22.831 -14.657 -9.741 1.00 0.59 O ATOM 889 CB SER A 57 -22.347 -16.751 -7.651 1.00 0.61 C ATOM 890 OG SER A 57 -21.866 -17.324 -6.439 1.00 0.91 O ATOM 0 H SER A 57 -21.846 -14.582 -6.659 1.00 0.47 H new ATOM 0 HA SER A 57 -20.370 -16.335 -8.409 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.270 -16.205 -7.458 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.587 -17.542 -8.361 1.00 0.61 H new ATOM 0 HG SER A 57 -21.263 -18.068 -6.646 1.00 0.91 H new ATOM 896 N LEU A 58 -21.043 -15.675 -10.657 1.00 0.44 N ATOM 897 CA LEU A 58 -21.340 -15.317 -12.045 1.00 0.49 C ATOM 898 C LEU A 58 -21.975 -16.518 -12.764 1.00 0.60 C ATOM 899 O LEU A 58 -21.614 -16.848 -13.894 1.00 0.89 O ATOM 900 CB LEU A 58 -20.033 -14.894 -12.737 1.00 0.67 C ATOM 901 CG LEU A 58 -20.284 -14.084 -14.011 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.625 -12.632 -13.677 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.058 -14.142 -14.918 1.00 0.86 C ATOM 0 H LEU A 58 -20.191 -16.227 -10.555 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.046 -14.488 -12.079 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.434 -14.302 -12.045 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.451 -15.782 -12.983 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.135 -14.522 -14.533 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.799 -12.078 -14.599 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.523 -12.602 -13.061 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.796 -12.180 -13.133 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.246 -13.563 -15.822 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.197 -13.727 -14.394 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.853 -15.178 -15.187 1.00 0.86 H new ATOM 915 N LYS A 59 -22.926 -17.169 -12.092 1.00 0.70 N ATOM 916 CA LYS A 59 -23.622 -18.329 -12.644 1.00 0.90 C ATOM 917 C LYS A 59 -24.807 -17.858 -13.488 1.00 0.87 C ATOM 918 O LYS A 59 -25.756 -17.276 -12.957 1.00 0.95 O ATOM 919 CB LYS A 59 -24.097 -19.234 -11.498 1.00 1.13 C ATOM 920 CG LYS A 59 -23.484 -20.636 -11.593 1.00 1.41 C ATOM 921 CD LYS A 59 -24.092 -21.457 -12.740 1.00 1.78 C ATOM 922 CE LYS A 59 -24.987 -22.590 -12.219 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.317 -22.091 -11.761 1.00 2.83 N ATOM 0 H LYS A 59 -23.233 -16.908 -11.155 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.946 -18.899 -13.281 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.828 -18.783 -10.543 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.184 -19.310 -11.520 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.407 -20.551 -11.740 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.637 -21.162 -10.651 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.675 -20.801 -13.387 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.292 -21.877 -13.350 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.130 -23.330 -13.007 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.486 -23.096 -11.393 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.875 -22.884 -11.386 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -26.183 -21.379 -11.015 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.821 -21.661 -12.563 1.00 2.83 H new ATOM 937 N GLU A 60 -24.731 -18.098 -14.802 1.00 0.89 N ATOM 938 CA GLU A 60 -25.779 -17.701 -15.757 1.00 0.93 C ATOM 939 C GLU A 60 -26.019 -16.185 -15.697 1.00 0.71 C ATOM 940 O GLU A 60 -27.135 -15.729 -15.431 1.00 0.82 O ATOM 941 CB GLU A 60 -27.084 -18.466 -15.476 1.00 1.20 C ATOM 942 CG GLU A 60 -26.899 -19.982 -15.642 1.00 1.43 C ATOM 943 CD GLU A 60 -27.943 -20.735 -14.825 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.146 -20.456 -14.991 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.567 -21.594 -14.005 1.00 2.33 O ATOM 0 H GLU A 60 -23.940 -18.574 -15.237 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.441 -17.955 -16.762 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.422 -18.249 -14.463 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.863 -18.118 -16.154 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.986 -20.253 -16.694 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.898 -20.270 -15.320 1.00 1.43 H new ATOM 952 N ALA A 61 -24.957 -15.413 -15.925 1.00 0.51 N ATOM 953 CA ALA A 61 -25.029 -13.951 -15.882 1.00 0.35 C ATOM 954 C ALA A 61 -25.332 -13.377 -17.266 1.00 0.35 C ATOM 955 O ALA A 61 -24.640 -13.689 -18.244 1.00 0.43 O ATOM 956 CB ALA A 61 -23.705 -13.382 -15.361 1.00 0.31 C ATOM 0 H ALA A 61 -24.030 -15.778 -16.143 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.838 -13.666 -15.209 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.763 -12.294 -15.331 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.515 -13.763 -14.358 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.894 -13.684 -16.023 1.00 0.31 H new ATOM 962 N ILE A 62 -26.352 -12.521 -17.340 1.00 0.34 N ATOM 963 CA ILE A 62 -26.742 -11.870 -18.594 1.00 0.37 C ATOM 964 C ILE A 62 -25.772 -10.722 -18.876 1.00 0.31 C ATOM 965 O ILE A 62 -25.389 -9.990 -17.956 1.00 0.31 O ATOM 966 CB ILE A 62 -28.183 -11.341 -18.488 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.174 -12.492 -18.267 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.564 -10.547 -19.741 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.467 -12.002 -17.619 1.00 1.27 C ATOM 0 H ILE A 62 -26.928 -12.260 -16.540 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.702 -12.589 -19.412 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.232 -10.674 -17.627 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.401 -12.966 -19.222 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.715 -13.252 -17.635 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.587 -10.183 -19.644 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.887 -9.701 -19.855 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.490 -11.192 -20.617 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.145 -12.844 -17.478 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.242 -11.551 -16.652 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.939 -11.261 -18.264 1.00 1.27 H new ATOM 981 N CYS A 63 -25.366 -10.574 -20.133 1.00 0.34 N ATOM 982 CA CYS A 63 -24.422 -9.528 -20.525 1.00 0.33 C ATOM 983 C CYS A 63 -24.865 -8.853 -21.825 1.00 0.34 C ATOM 984 O CYS A 63 -24.724 -9.416 -22.911 1.00 0.52 O ATOM 985 CB CYS A 63 -23.020 -10.143 -20.678 1.00 0.37 C ATOM 986 SG CYS A 63 -21.704 -8.997 -20.238 1.00 0.53 S ATOM 0 H CYS A 63 -25.677 -11.167 -20.902 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.395 -8.762 -19.750 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.947 -11.031 -20.050 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.882 -10.469 -21.709 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.573 -9.636 -20.183 1.00 0.53 H new ATOM 992 N GLU A 64 -25.388 -7.631 -21.701 1.00 0.26 N ATOM 993 CA GLU A 64 -25.839 -6.841 -22.855 1.00 0.29 C ATOM 994 C GLU A 64 -24.770 -5.799 -23.192 1.00 0.24 C ATOM 995 O GLU A 64 -24.051 -5.336 -22.308 1.00 0.36 O ATOM 996 CB GLU A 64 -27.173 -6.140 -22.551 1.00 0.33 C ATOM 997 CG GLU A 64 -28.194 -7.084 -21.901 1.00 0.81 C ATOM 998 CD GLU A 64 -29.380 -6.293 -21.363 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.213 -5.830 -22.170 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.479 -6.124 -20.130 1.00 1.96 O ATOM 0 H GLU A 64 -25.511 -7.161 -20.804 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.992 -7.508 -23.704 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.993 -5.293 -21.889 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.589 -5.740 -23.475 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.538 -7.816 -22.631 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.721 -7.639 -21.091 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.670 -5.427 -24.462 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.688 -4.435 -24.914 1.00 0.32 C ATOM 1009 C VAL A 65 -24.330 -3.043 -24.957 1.00 0.31 C ATOM 1010 O VAL A 65 -25.469 -2.886 -25.412 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.155 -4.817 -26.307 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.868 -4.053 -26.622 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.903 -6.324 -26.405 1.00 0.39 C ATOM 0 H VAL A 65 -25.260 -5.798 -25.207 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.854 -4.416 -24.212 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.916 -4.544 -27.039 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.508 -4.338 -27.611 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.067 -2.981 -26.603 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.110 -4.294 -25.877 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.527 -6.566 -27.399 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.167 -6.619 -25.657 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.835 -6.861 -26.229 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.595 -2.041 -24.484 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.061 -0.653 -24.457 1.00 0.31 C ATOM 1025 C ALA A 66 -22.911 0.280 -24.853 1.00 0.34 C ATOM 1026 O ALA A 66 -22.112 0.694 -24.018 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.584 -0.305 -23.056 1.00 0.36 C ATOM 0 H ALA A 66 -22.656 -2.166 -24.107 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.876 -0.527 -25.169 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.929 0.729 -23.043 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.412 -0.967 -22.802 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.783 -0.429 -22.327 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.821 0.600 -26.137 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.759 1.478 -26.650 1.00 0.71 C ATOM 1035 C LEU A 67 -22.147 2.956 -26.517 1.00 0.89 C ATOM 1036 O LEU A 67 -21.277 3.815 -26.350 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.459 1.132 -28.119 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.176 0.308 -28.249 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.402 -1.108 -27.740 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.691 0.281 -29.695 1.00 1.39 C ATOM 0 H LEU A 67 -23.470 0.267 -26.850 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.862 1.315 -26.053 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.295 0.575 -28.541 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.363 2.050 -28.698 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.405 0.780 -27.640 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.480 -1.682 -27.839 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.698 -1.075 -26.691 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -21.190 -1.583 -28.324 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.778 -0.311 -29.762 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.459 -0.164 -30.328 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -19.489 1.298 -30.030 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.447 3.245 -26.604 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.957 4.621 -26.509 1.00 1.14 C ATOM 1054 C ASP A 68 -24.632 4.879 -25.156 1.00 0.87 C ATOM 1055 O ASP A 68 -25.665 5.543 -25.091 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.925 4.911 -27.678 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.237 4.124 -27.571 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.194 2.897 -27.337 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.317 4.739 -27.722 1.00 2.62 O ATOM 0 H ASP A 68 -24.173 2.542 -26.741 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.110 5.303 -26.581 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.147 5.978 -27.704 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.434 4.665 -28.620 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.042 4.371 -24.074 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.593 4.574 -22.730 1.00 0.69 C ATOM 1066 C TYR A 69 -24.036 5.862 -22.122 1.00 0.97 C ATOM 1067 O TYR A 69 -23.069 5.826 -21.356 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.270 3.386 -21.814 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.998 3.481 -20.490 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.349 3.180 -20.414 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.307 3.838 -19.342 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.003 3.233 -19.197 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.965 3.895 -18.130 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.345 3.716 -18.092 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.954 3.648 -16.853 1.00 0.97 O ATOM 0 H TYR A 69 -23.186 3.818 -24.099 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.676 4.654 -22.819 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.545 2.457 -22.314 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.195 3.346 -21.636 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.891 2.904 -21.306 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.254 4.071 -19.396 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.026 2.896 -19.115 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.414 4.077 -17.219 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.359 4.030 -16.175 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.663 6.993 -22.472 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.274 8.333 -21.991 1.00 1.81 C ATOM 1087 C LYS A 70 -22.912 8.763 -22.550 1.00 1.82 C ATOM 1088 O LYS A 70 -22.800 9.805 -23.200 1.00 2.53 O ATOM 1089 CB LYS A 70 -24.276 8.389 -20.455 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.622 7.931 -19.884 1.00 2.98 C ATOM 1091 CD LYS A 70 -25.694 8.148 -18.371 1.00 3.79 C ATOM 1092 CE LYS A 70 -27.108 7.910 -17.833 1.00 4.45 C ATOM 1093 NZ LYS A 70 -28.049 8.997 -18.230 1.00 4.84 N ATOM 0 H LYS A 70 -25.464 7.008 -23.104 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.018 9.039 -22.360 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.479 7.757 -20.065 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -24.066 9.407 -20.126 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.429 8.479 -20.370 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.773 6.875 -20.109 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -24.997 7.474 -17.873 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -25.380 9.164 -18.133 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -27.481 6.955 -18.204 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -27.075 7.839 -16.746 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -28.943 8.889 -17.711 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -27.627 9.921 -18.005 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.233 8.941 -19.252 1.00 4.84 H new ATOM 1107 N LYS A 71 -21.888 7.949 -22.307 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.530 8.206 -22.788 1.00 2.22 C ATOM 1109 C LYS A 71 -20.239 7.294 -23.981 1.00 2.19 C ATOM 1110 O LYS A 71 -20.412 6.077 -23.889 1.00 2.78 O ATOM 1111 CB LYS A 71 -19.516 7.945 -21.665 1.00 2.97 C ATOM 1112 CG LYS A 71 -19.759 8.862 -20.461 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.179 8.068 -19.219 1.00 4.44 C ATOM 1114 CE LYS A 71 -19.021 7.230 -18.666 1.00 5.27 C ATOM 1115 NZ LYS A 71 -17.875 8.080 -18.234 1.00 5.62 N ATOM 0 H LYS A 71 -21.976 7.087 -21.768 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.445 9.248 -23.098 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.582 6.904 -21.349 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -18.506 8.100 -22.043 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -18.851 9.425 -20.243 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -20.533 9.589 -20.707 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.532 8.755 -18.450 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -21.014 7.414 -19.470 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -19.373 6.638 -17.821 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -18.685 6.528 -19.429 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -17.238 7.523 -17.629 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -17.354 8.412 -19.071 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -18.232 8.898 -17.701 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.808 7.883 -25.099 1.00 2.22 N ATOM 1130 CA LYS A 72 -19.506 7.124 -26.323 1.00 2.54 C ATOM 1131 C LYS A 72 -18.192 6.340 -26.186 1.00 1.92 C ATOM 1132 O LYS A 72 -17.194 6.663 -26.831 1.00 2.45 O ATOM 1133 CB LYS A 72 -19.442 8.079 -27.529 1.00 3.71 C ATOM 1134 CG LYS A 72 -18.583 9.322 -27.247 1.00 4.59 C ATOM 1135 CD LYS A 72 -17.808 9.777 -28.490 1.00 5.67 C ATOM 1136 CE LYS A 72 -18.607 10.797 -29.311 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.696 12.123 -28.635 1.00 7.03 N ATOM 0 H LYS A 72 -19.659 8.888 -25.185 1.00 2.22 H new ATOM 0 HA LYS A 72 -20.306 6.401 -26.482 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.035 7.547 -28.389 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -20.452 8.391 -27.796 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -19.222 10.134 -26.901 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -17.881 9.103 -26.442 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -16.858 10.217 -28.186 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -17.574 8.912 -29.111 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -18.139 10.920 -30.288 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -19.612 10.412 -29.485 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -18.981 12.846 -29.326 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -19.401 12.077 -27.872 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -17.769 12.372 -28.235 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.199 5.312 -25.339 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.019 4.472 -25.108 1.00 1.35 C ATOM 1153 C LYS A 73 -17.358 2.999 -25.388 1.00 1.05 C ATOM 1154 O LYS A 73 -17.755 2.650 -26.502 1.00 1.79 O ATOM 1155 CB LYS A 73 -16.528 4.645 -23.664 1.00 1.94 C ATOM 1156 CG LYS A 73 -16.078 6.077 -23.369 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.830 6.252 -21.871 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.513 6.978 -21.582 1.00 3.52 C ATOM 1159 NZ LYS A 73 -13.337 6.223 -22.096 1.00 3.96 N ATOM 0 H LYS A 73 -19.017 5.037 -24.795 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.223 4.780 -25.786 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -17.327 4.369 -22.976 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -15.699 3.961 -23.481 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -15.168 6.302 -23.925 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.839 6.782 -23.704 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -16.655 6.812 -21.431 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.816 5.274 -21.390 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -14.537 7.968 -22.038 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -14.408 7.125 -20.507 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -12.491 6.483 -21.549 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -13.511 5.202 -22.000 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -13.186 6.455 -23.098 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.201 2.149 -24.370 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.480 0.714 -24.472 1.00 0.38 C ATOM 1175 C HIS A 74 -17.995 0.221 -23.117 1.00 0.30 C ATOM 1176 O HIS A 74 -17.203 -0.065 -22.217 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.199 -0.054 -24.861 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.825 0.083 -26.309 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.713 0.761 -26.740 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.415 -0.376 -27.443 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.613 0.722 -28.046 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.641 0.034 -28.516 1.00 1.53 N ATOM 0 H HIS A 74 -16.875 2.438 -23.448 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.230 0.539 -25.243 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.372 0.303 -24.247 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.336 -1.110 -24.629 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.324 -0.956 -27.498 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.829 1.173 -28.636 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.831 -0.161 -29.499 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.321 0.143 -22.968 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.945 -0.304 -21.716 1.00 0.23 C ATOM 1192 C VAL A 75 -20.796 -1.552 -21.971 1.00 0.22 C ATOM 1193 O VAL A 75 -21.312 -1.750 -23.071 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.815 0.834 -21.131 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.585 0.380 -19.883 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.960 2.057 -20.799 1.00 0.31 C ATOM 0 H VAL A 75 -19.987 0.385 -23.702 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.167 -0.557 -20.996 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.542 1.105 -21.896 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.183 1.208 -19.503 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.240 -0.452 -20.142 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.879 0.061 -19.116 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.594 2.844 -20.389 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.202 1.783 -20.065 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.474 2.418 -21.705 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.962 -2.376 -20.941 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.786 -3.581 -21.030 1.00 0.23 C ATOM 1208 C PHE A 76 -22.592 -3.726 -19.738 1.00 0.22 C ATOM 1209 O PHE A 76 -22.127 -3.366 -18.651 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.951 -4.836 -21.336 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.833 -5.129 -20.364 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.601 -4.516 -20.516 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.026 -6.043 -19.341 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.563 -4.816 -19.647 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.993 -6.338 -18.470 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.760 -5.727 -18.624 1.00 0.29 C ATOM 0 H PHE A 76 -20.534 -2.231 -20.027 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.474 -3.478 -21.869 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.619 -5.697 -21.364 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.523 -4.732 -22.333 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.448 -3.803 -21.313 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.985 -6.526 -19.223 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.602 -4.339 -19.768 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.148 -7.046 -17.669 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.952 -5.961 -17.946 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.817 -4.213 -19.879 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.746 -4.376 -18.761 1.00 0.28 C ATOM 1228 C LYS A 77 -24.710 -5.808 -18.230 1.00 0.31 C ATOM 1229 O LYS A 77 -25.154 -6.741 -18.901 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.152 -4.016 -19.249 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.193 -4.027 -18.125 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.182 -2.860 -18.258 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.959 -2.898 -19.587 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.213 -3.696 -19.480 1.00 1.95 N ATOM 0 H LYS A 77 -24.200 -4.509 -20.777 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.457 -3.718 -17.942 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.130 -3.027 -19.708 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.454 -4.720 -20.024 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.738 -4.971 -18.143 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.688 -3.969 -17.161 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.887 -2.888 -17.427 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.640 -1.917 -18.184 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.202 -1.881 -19.894 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.325 -3.322 -20.365 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.787 -3.558 -20.336 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.976 -4.704 -19.381 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.753 -3.384 -18.648 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.201 -5.956 -17.009 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.105 -7.253 -16.331 1.00 0.24 C ATOM 1250 C LEU A 78 -25.268 -7.388 -15.353 1.00 0.29 C ATOM 1251 O LEU A 78 -25.370 -6.631 -14.383 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.769 -7.373 -15.578 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.843 -8.399 -16.232 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.595 -8.605 -15.373 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.557 -9.737 -16.462 1.00 0.30 C ATOM 0 H LEU A 78 -23.841 -5.178 -16.457 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.150 -8.050 -17.073 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.276 -6.401 -15.554 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.958 -7.660 -14.544 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.547 -8.009 -17.206 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -19.943 -9.338 -15.848 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.064 -7.659 -15.270 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.888 -8.966 -14.387 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -21.868 -10.442 -16.928 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.895 -10.138 -15.506 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.416 -9.583 -17.115 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.143 -8.344 -15.614 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.313 -8.580 -14.775 1.00 0.40 C ATOM 1269 C ARG A 79 -27.341 -10.024 -14.313 1.00 0.45 C ATOM 1270 O ARG A 79 -27.460 -10.939 -15.132 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.585 -8.284 -15.572 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.734 -6.794 -15.864 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.695 -6.545 -17.028 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.078 -6.831 -16.637 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.078 -6.006 -16.937 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.715 -6.128 -18.090 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.409 -5.041 -16.099 1.00 2.99 N ATOM 0 H ARG A 79 -26.066 -8.978 -16.409 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.260 -7.924 -13.906 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.564 -8.838 -16.510 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.454 -8.634 -15.014 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.099 -6.282 -14.973 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -27.758 -6.369 -16.099 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.613 -5.509 -17.357 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.416 -7.171 -17.875 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.280 -7.687 -16.120 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.440 -6.855 -18.750 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.481 -5.495 -18.319 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.898 -4.929 -15.223 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.175 -4.408 -16.327 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.262 -10.239 -13.002 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.321 -11.597 -12.464 1.00 0.68 C ATOM 1293 C LEU A 80 -28.784 -12.056 -12.459 1.00 0.84 C ATOM 1294 O LEU A 80 -29.694 -11.242 -12.257 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.740 -11.657 -11.045 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.347 -11.008 -10.951 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.825 -11.050 -9.514 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.360 -11.700 -11.894 1.00 1.26 C ATOM 0 H LEU A 80 -27.159 -9.504 -12.302 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.722 -12.258 -13.091 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.419 -11.154 -10.356 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.675 -12.697 -10.726 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.441 -9.965 -11.255 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.840 -10.586 -9.471 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.510 -10.508 -8.862 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.753 -12.086 -9.183 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.383 -11.225 -11.810 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.276 -12.753 -11.624 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.718 -11.616 -12.920 1.00 1.26 H new ATOM 1310 N SER A 81 -29.011 -13.347 -12.689 1.00 1.01 N ATOM 1311 CA SER A 81 -30.371 -13.909 -12.724 1.00 1.23 C ATOM 1312 C SER A 81 -31.079 -13.757 -11.368 1.00 1.40 C ATOM 1313 O SER A 81 -32.290 -13.534 -11.311 1.00 1.92 O ATOM 1314 CB SER A 81 -30.313 -15.385 -13.122 1.00 1.52 C ATOM 1315 OG SER A 81 -29.736 -15.534 -14.415 1.00 2.18 O ATOM 0 H SER A 81 -28.272 -14.030 -12.855 1.00 1.01 H new ATOM 0 HA SER A 81 -30.946 -13.354 -13.465 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.727 -15.942 -12.390 1.00 1.52 H new ATOM 0 HB3 SER A 81 -31.317 -15.809 -13.115 1.00 1.52 H new ATOM 0 HG SER A 81 -28.760 -15.576 -14.335 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.312 -13.872 -10.290 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.830 -13.750 -8.928 1.00 1.76 C ATOM 1323 C ASP A 82 -29.734 -13.158 -8.035 1.00 1.31 C ATOM 1324 O ASP A 82 -29.191 -13.847 -7.166 1.00 1.74 O ATOM 1325 CB ASP A 82 -31.270 -15.130 -8.410 1.00 2.76 C ATOM 1326 CG ASP A 82 -31.977 -15.028 -7.057 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -32.616 -13.990 -6.793 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -31.884 -15.978 -6.252 1.00 3.77 O ATOM 0 H ASP A 82 -29.309 -14.053 -10.334 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.698 -13.091 -8.915 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -31.938 -15.595 -9.135 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -30.399 -15.779 -8.317 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.399 -11.886 -8.262 1.00 1.09 N ATOM 1334 CA GLY A 83 -28.362 -11.214 -7.486 1.00 1.53 C ATOM 1335 C GLY A 83 -28.540 -9.700 -7.521 1.00 1.31 C ATOM 1336 O GLY A 83 -29.379 -9.148 -6.778 1.00 1.88 O ATOM 0 H GLY A 83 -29.833 -11.303 -8.978 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -28.393 -11.563 -6.454 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -27.381 -11.477 -7.881 1.00 1.53 H new ATOM 1340 N ASN A 84 -27.726 -9.032 -8.364 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.739 -7.579 -8.502 1.00 0.71 C ATOM 1342 C ASN A 84 -27.547 -7.209 -9.973 1.00 0.62 C ATOM 1343 O ASN A 84 -27.201 -8.069 -10.794 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.566 -6.988 -7.700 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.625 -7.352 -6.213 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.749 -7.084 -5.573 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -25.654 -7.863 -5.656 1.00 1.32 N flip ATOM 0 H ASN A 84 -27.044 -9.495 -8.965 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.688 -7.188 -8.135 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.626 -7.346 -8.121 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.569 -5.903 -7.805 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -24.804 -8.054 -6.186 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.699 -8.096 -4.664 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.738 -5.924 -10.288 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.562 -5.392 -11.645 1.00 0.55 C ATOM 1356 C GLU A 85 -26.413 -4.378 -11.632 1.00 0.47 C ATOM 1357 O GLU A 85 -26.436 -3.423 -10.847 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.853 -4.715 -12.095 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.975 -5.741 -12.299 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.212 -5.074 -12.884 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.099 -4.398 -13.926 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.306 -5.228 -12.306 1.00 1.39 O ATOM 0 H GLU A 85 -28.020 -5.220 -9.606 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.327 -6.200 -12.338 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.160 -3.980 -11.351 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.678 -4.174 -13.025 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.634 -6.534 -12.965 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.224 -6.210 -11.347 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.404 -4.590 -12.483 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.229 -3.701 -12.548 1.00 0.31 C ATOM 1371 C TYR A 86 -23.864 -3.329 -13.991 1.00 0.29 C ATOM 1372 O TYR A 86 -24.064 -4.114 -14.919 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.002 -4.398 -11.931 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.188 -5.000 -10.548 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.708 -4.215 -9.524 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.902 -6.334 -10.304 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.947 -4.763 -8.276 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.129 -6.875 -9.050 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.397 -6.097 -8.013 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.910 -6.642 -6.813 1.00 0.77 O ATOM 0 H TYR A 86 -25.373 -5.370 -13.140 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.493 -2.798 -11.997 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.684 -5.191 -12.608 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.188 -3.675 -11.882 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.926 -3.173 -9.704 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.501 -6.953 -11.093 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.515 -4.231 -7.527 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.087 -7.946 -8.916 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.249 -5.919 -6.244 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.262 -2.146 -14.153 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.778 -1.661 -15.455 1.00 0.23 C ATOM 1392 C LEU A 87 -21.250 -1.664 -15.412 1.00 0.22 C ATOM 1393 O LEU A 87 -20.660 -1.279 -14.394 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.260 -0.229 -15.744 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.782 -0.112 -15.863 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.156 1.161 -16.626 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.403 -1.329 -16.547 1.00 0.38 C ATOM 0 H LEU A 87 -23.095 -1.495 -13.386 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.165 -2.310 -16.240 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.913 0.431 -14.948 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.803 0.120 -16.670 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.182 -0.064 -14.850 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.241 1.233 -16.704 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.772 2.031 -16.093 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.722 1.127 -17.625 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.484 -1.200 -16.608 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.992 -1.431 -17.551 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.177 -2.226 -15.970 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.610 -2.100 -16.494 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.145 -2.158 -16.563 1.00 0.19 C ATOM 1411 C PHE A 88 -18.636 -1.458 -17.822 1.00 0.20 C ATOM 1412 O PHE A 88 -19.111 -1.727 -18.923 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.686 -3.614 -16.550 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.746 -4.226 -15.175 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.785 -3.900 -14.235 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.759 -5.110 -14.851 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.836 -4.457 -12.974 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.811 -5.669 -13.587 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.849 -5.344 -12.650 1.00 0.22 C ATOM 0 H PHE A 88 -21.081 -2.420 -17.340 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.734 -1.643 -15.695 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.310 -4.194 -17.230 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.665 -3.673 -16.926 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.994 -3.209 -14.488 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.509 -5.364 -15.585 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.086 -4.201 -12.240 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.602 -6.359 -13.333 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.887 -5.782 -11.664 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.665 -0.561 -17.646 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.071 0.198 -18.757 1.00 0.26 C ATOM 1431 C GLN A 89 -15.616 -0.226 -18.986 1.00 0.22 C ATOM 1432 O GLN A 89 -14.828 -0.319 -18.037 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.128 1.701 -18.438 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.603 2.574 -19.588 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.107 3.914 -19.047 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.844 4.895 -19.029 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.863 3.952 -18.592 1.00 1.63 N ATOM 0 H GLN A 89 -17.266 -0.338 -16.734 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.638 -0.008 -19.665 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.157 1.982 -18.216 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.542 1.900 -17.540 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.793 2.059 -20.105 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.394 2.739 -20.320 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.282 3.114 -18.625 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.486 4.819 -18.209 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.273 -0.429 -20.258 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.918 -0.790 -20.691 1.00 0.24 C ATOM 1448 C ALA A 90 -13.385 0.339 -21.585 1.00 0.27 C ATOM 1449 O ALA A 90 -14.164 1.153 -22.092 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.944 -2.119 -21.460 1.00 0.29 C ATOM 0 H ALA A 90 -15.936 -0.347 -21.029 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.267 -0.917 -19.826 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.933 -2.376 -21.776 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.333 -2.906 -20.814 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.584 -2.020 -22.337 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.065 0.404 -21.768 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.444 1.461 -22.589 1.00 0.44 C ATOM 1458 C LYS A 91 -11.083 0.965 -24.000 1.00 0.49 C ATOM 1459 O LYS A 91 -11.038 1.761 -24.942 1.00 0.68 O ATOM 1460 CB LYS A 91 -10.192 2.008 -21.881 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.140 0.920 -21.630 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.642 0.952 -20.182 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.382 0.104 -20.000 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.691 -1.355 -20.027 1.00 2.29 N ATOM 0 H LYS A 91 -11.402 -0.257 -21.363 1.00 0.35 H new ATOM 0 HA LYS A 91 -12.177 2.259 -22.705 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.753 2.801 -22.486 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.482 2.456 -20.930 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.567 -0.059 -21.849 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.299 1.060 -22.309 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.433 1.982 -19.891 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -9.426 0.586 -19.519 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.668 0.339 -20.789 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.906 0.358 -19.053 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.932 -1.861 -20.527 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.763 -1.713 -19.053 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.594 -1.510 -20.520 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.817 -0.336 -24.138 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.443 -0.935 -25.427 1.00 0.66 C ATOM 1480 C ASP A 92 -11.528 -1.912 -25.900 1.00 0.59 C ATOM 1481 O ASP A 92 -12.145 -2.614 -25.090 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.089 -1.649 -25.270 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.578 -2.192 -26.600 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.131 -1.394 -27.446 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.609 -3.421 -26.796 1.00 2.01 O ATOM 0 H ASP A 92 -10.854 -1.002 -23.367 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.351 -0.155 -26.182 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.358 -0.955 -24.856 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.190 -2.468 -24.558 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.749 -1.955 -27.220 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.755 -2.840 -27.842 1.00 0.63 C ATOM 1492 C ASP A 93 -12.442 -4.314 -27.547 1.00 0.49 C ATOM 1493 O ASP A 93 -13.341 -5.100 -27.234 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.790 -2.596 -29.362 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.959 -3.330 -30.027 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.858 -4.558 -30.234 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.972 -2.678 -30.360 1.00 2.21 O ATOM 0 H ASP A 93 -11.239 -1.380 -27.890 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.733 -2.610 -27.418 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.873 -1.527 -29.557 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.852 -2.929 -29.806 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.155 -4.673 -27.627 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.698 -6.042 -27.354 1.00 0.41 C ATOM 1504 C GLU A 94 -10.996 -6.413 -25.898 1.00 0.36 C ATOM 1505 O GLU A 94 -11.429 -7.530 -25.605 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.194 -6.164 -27.633 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.768 -7.622 -27.863 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.609 -8.003 -26.947 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.635 -7.231 -26.852 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.672 -9.074 -26.315 1.00 2.59 O ATOM 0 H GLU A 94 -10.406 -4.029 -27.881 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.232 -6.729 -28.010 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.938 -5.569 -28.510 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.635 -5.751 -26.793 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.614 -8.285 -27.681 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.474 -7.759 -28.904 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.789 -5.451 -24.996 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.049 -5.636 -23.564 1.00 0.29 C ATOM 1519 C GLU A 95 -12.532 -5.942 -23.332 1.00 0.24 C ATOM 1520 O GLU A 95 -12.879 -6.932 -22.688 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.648 -4.372 -22.794 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.251 -4.688 -21.356 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.919 -3.407 -20.599 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.093 -2.303 -21.164 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.469 -3.498 -19.442 1.00 1.30 O ATOM 0 H GLU A 95 -10.437 -4.524 -25.235 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.456 -6.476 -23.203 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.816 -3.885 -23.302 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.479 -3.666 -22.795 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.064 -5.213 -20.855 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.389 -5.355 -21.349 1.00 0.42 H new ATOM 1532 N MET A 96 -13.399 -5.091 -23.895 1.00 0.24 N ATOM 1533 CA MET A 96 -14.858 -5.251 -23.792 1.00 0.22 C ATOM 1534 C MET A 96 -15.292 -6.612 -24.351 1.00 0.22 C ATOM 1535 O MET A 96 -16.119 -7.301 -23.759 1.00 0.23 O ATOM 1536 CB MET A 96 -15.555 -4.118 -24.562 1.00 0.26 C ATOM 1537 CG MET A 96 -17.072 -4.115 -24.337 1.00 0.39 C ATOM 1538 SD MET A 96 -17.950 -3.117 -25.556 1.00 0.94 S ATOM 1539 CE MET A 96 -17.921 -4.202 -26.996 1.00 0.77 C ATOM 0 H MET A 96 -13.112 -4.274 -24.434 1.00 0.24 H new ATOM 0 HA MET A 96 -15.145 -5.205 -22.741 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.141 -3.160 -24.249 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.347 -4.223 -25.627 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.444 -5.139 -24.375 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.287 -3.735 -23.338 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.654 -3.858 -27.726 1.00 0.77 H new ATOM 0 HE2 MET A 96 -16.928 -4.185 -27.444 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.164 -5.220 -26.690 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.711 -6.992 -25.491 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.016 -8.270 -26.142 1.00 0.28 C ATOM 1551 C ASN A 97 -14.590 -9.449 -25.254 1.00 0.26 C ATOM 1552 O ASN A 97 -15.351 -10.402 -25.074 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.311 -8.348 -27.509 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.031 -9.331 -28.434 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.802 -10.539 -28.376 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.910 -8.816 -29.282 1.00 1.24 N ATOM 0 H ASN A 97 -14.021 -6.428 -25.987 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.093 -8.331 -26.296 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.287 -7.360 -27.968 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.276 -8.661 -27.372 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.424 -9.427 -29.917 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.072 -7.809 -29.300 1.00 1.24 H new ATOM 1563 N THR A 98 -13.376 -9.373 -24.694 1.00 0.25 N ATOM 1564 CA THR A 98 -12.850 -10.432 -23.822 1.00 0.27 C ATOM 1565 C THR A 98 -13.653 -10.533 -22.516 1.00 0.23 C ATOM 1566 O THR A 98 -13.926 -11.634 -22.040 1.00 0.27 O ATOM 1567 CB THR A 98 -11.362 -10.188 -23.519 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.664 -9.846 -24.713 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.728 -11.431 -22.892 1.00 0.39 C ATOM 0 H THR A 98 -12.739 -8.588 -24.829 1.00 0.25 H new ATOM 0 HA THR A 98 -12.951 -11.380 -24.350 1.00 0.27 H new ATOM 0 HB THR A 98 -11.291 -9.361 -22.812 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.648 -8.871 -24.815 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.675 -11.238 -22.685 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.242 -11.672 -21.962 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.814 -12.271 -23.582 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.042 -9.384 -21.946 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.827 -9.359 -20.699 1.00 0.20 C ATOM 1579 C TRP A 99 -16.171 -10.070 -20.903 1.00 0.21 C ATOM 1580 O TRP A 99 -16.531 -10.968 -20.140 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.070 -7.906 -20.237 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.958 -7.349 -19.386 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.174 -6.263 -19.667 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.503 -7.852 -18.105 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.286 -6.082 -18.643 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.450 -7.029 -17.683 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.880 -8.917 -17.282 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.784 -7.238 -16.488 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.211 -9.133 -16.084 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.169 -8.301 -15.692 1.00 0.29 C ATOM 0 H TRP A 99 -13.828 -8.462 -22.325 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.260 -9.881 -19.929 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.198 -7.271 -21.114 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.003 -7.864 -19.674 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.245 -5.649 -20.553 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.592 -5.335 -18.605 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.689 -9.570 -17.576 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.980 -6.584 -16.183 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.504 -9.957 -15.450 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.657 -8.486 -14.759 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.897 -9.671 -21.954 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.202 -10.266 -22.285 1.00 0.24 C ATOM 1603 C ILE A 100 -18.055 -11.762 -22.608 1.00 0.28 C ATOM 1604 O ILE A 100 -18.914 -12.570 -22.245 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.833 -9.508 -23.470 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.211 -8.083 -23.045 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.069 -10.240 -24.008 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.665 -7.248 -24.240 1.00 0.29 C ATOM 0 H ILE A 100 -16.602 -8.934 -22.595 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.859 -10.178 -21.420 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.093 -9.462 -24.269 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.008 -8.122 -22.303 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.355 -7.604 -22.569 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.490 -9.679 -24.843 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.783 -11.236 -24.347 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.814 -10.326 -23.217 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.925 -6.244 -23.905 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.858 -7.189 -24.970 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.536 -7.714 -24.700 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.956 -12.130 -23.277 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.694 -13.533 -23.639 1.00 0.35 C ATOM 1622 C GLN A 101 -16.364 -14.366 -22.397 1.00 0.36 C ATOM 1623 O GLN A 101 -16.936 -15.437 -22.204 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.550 -13.624 -24.662 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.046 -13.337 -26.088 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.991 -14.440 -26.577 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.104 -15.501 -25.959 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -17.669 -14.192 -27.688 1.00 1.76 N ATOM 0 H GLN A 101 -16.232 -11.478 -23.580 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.599 -13.938 -24.092 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.767 -12.913 -24.398 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.104 -14.618 -24.624 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.561 -12.377 -26.111 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.194 -13.258 -26.763 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -17.548 -13.302 -28.171 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -18.312 -14.891 -28.060 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.452 -13.868 -21.554 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.056 -14.567 -20.320 1.00 0.37 C ATOM 1639 C ALA A 102 -16.267 -14.785 -19.403 1.00 0.38 C ATOM 1640 O ALA A 102 -16.394 -15.828 -18.757 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.979 -13.761 -19.587 1.00 0.38 C ATOM 0 H ALA A 102 -14.971 -12.981 -21.702 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.653 -15.543 -20.590 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.691 -14.284 -18.675 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.107 -13.648 -20.232 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.372 -12.777 -19.332 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.169 -13.797 -19.381 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.396 -13.861 -18.579 1.00 0.38 C ATOM 1649 C ILE A 103 -19.334 -14.938 -19.150 1.00 0.47 C ATOM 1650 O ILE A 103 -19.894 -15.742 -18.404 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.082 -12.476 -18.568 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.284 -11.485 -17.705 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.534 -12.558 -18.075 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.480 -10.045 -18.169 1.00 0.35 C ATOM 0 H ILE A 103 -17.070 -12.934 -19.916 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.151 -14.131 -17.552 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.102 -12.117 -19.597 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.595 -11.577 -16.664 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.225 -11.739 -17.745 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.978 -11.562 -18.083 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.105 -13.215 -18.731 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.552 -12.955 -17.060 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.900 -9.376 -17.534 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.145 -9.947 -19.201 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.536 -9.782 -18.104 1.00 0.35 H new ATOM 1666 N SER A 104 -19.477 -14.957 -20.481 1.00 0.53 N ATOM 1667 CA SER A 104 -20.329 -15.937 -21.167 1.00 0.66 C ATOM 1668 C SER A 104 -19.742 -17.357 -21.076 1.00 0.72 C ATOM 1669 O SER A 104 -20.478 -18.341 -21.149 1.00 0.89 O ATOM 1670 CB SER A 104 -20.496 -15.529 -22.635 1.00 0.81 C ATOM 1671 OG SER A 104 -21.017 -14.204 -22.735 1.00 1.05 O ATOM 0 H SER A 104 -19.011 -14.301 -21.108 1.00 0.53 H new ATOM 0 HA SER A 104 -21.301 -15.949 -20.675 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.534 -15.586 -23.145 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.165 -16.227 -23.138 1.00 0.81 H new ATOM 0 HG SER A 104 -20.286 -13.557 -22.644 1.00 1.05 H new ATOM 1677 N SER A 105 -18.419 -17.455 -20.910 1.00 0.80 N ATOM 1678 CA SER A 105 -17.732 -18.751 -20.799 1.00 1.13 C ATOM 1679 C SER A 105 -17.774 -19.287 -19.358 1.00 1.23 C ATOM 1680 O SER A 105 -17.247 -20.368 -19.082 1.00 1.61 O ATOM 1681 CB SER A 105 -16.274 -18.609 -21.254 1.00 1.48 C ATOM 1682 OG SER A 105 -16.204 -18.039 -22.557 1.00 1.63 O ATOM 0 H SER A 105 -17.797 -16.649 -20.849 1.00 0.80 H new ATOM 0 HA SER A 105 -18.251 -19.462 -21.442 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.728 -17.983 -20.549 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.791 -19.586 -21.253 1.00 1.48 H new ATOM 0 HG SER A 105 -16.316 -17.067 -22.495 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.401 -18.536 -18.446 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.513 -18.941 -17.040 1.00 1.59 C ATOM 1690 C ALA A 106 -19.743 -19.826 -16.834 1.00 2.40 C ATOM 1691 O ALA A 106 -19.773 -20.591 -15.851 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.605 -17.702 -16.145 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.688 -19.753 -17.647 1.00 3.05 O ATOM 0 H ALA A 106 -18.841 -17.640 -18.658 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.624 -19.512 -16.771 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.688 -18.011 -15.103 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.710 -17.094 -16.273 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.483 -17.118 -16.421 1.00 1.90 H new TER 1699 ALA A 106