USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=37 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 97 ASN : amide:sc= -0.111 X(o=-0.21,f=0) USER MOD Set 1.2: A 101 GLN : amide:sc= -0.101 K(o=-0.21,f=-0.86) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= 0.333! C(o=-0.75!,f=0.39!) USER MOD Set 2.2: A 86 TYR OH : rot 128:sc= 0.0546 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0336) USER MOD Set 3.2: A 43 SER OG : rot 66:sc= 0.409 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.98 (180deg=0.563) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.794) USER MOD Single : A 9 HIS : no HE2:sc= -0.916! C(o=-0.92!,f=-5.2!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.102 K(o=0.1,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.144) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.837) USER MOD Single : A 19 SER OG : rot 180:sc= -0.128 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0771 K(o=-0.077,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.322 USER MOD Single : A 28 CYS SG : rot -71:sc= -0.0654 USER MOD Single : A 31 ASN : amide:sc= 1.12 K(o=1.1,f=-0.15) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 33 GLN : amide:sc= 1.13 K(o=1.1,f=-0.09) USER MOD Single : A 35 MET CE :methyl 150:sc= 0 (180deg=-1.17) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1) USER MOD Single : A 63 CYS SG : rot 8:sc= 0.275 USER MOD Single : A 69 TYR OH : rot 15:sc= 0.999 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00373) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0125 (180deg=-0.158) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00853) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -0.0433 (180deg=-0.452) USER MOD Single : A 74 HIS : no HE2:sc= -0.731 K(o=-0.73,f=-4!) USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= 0.904 (180deg=0.229) USER MOD Single : A 81 SER OG : rot 92:sc= 0.722 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.56) USER MOD Single : A 96 MET CE :methyl -114:sc= -0.143 (180deg=-3.21!) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 104 SER OG : rot 60:sc= 1.19 USER MOD Single : A 105 SER OG : rot 74:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.501 -13.878 -15.722 1.00 1.74 N ATOM 2 CA MET A 1 -8.690 -13.180 -16.274 1.00 1.02 C ATOM 3 C MET A 1 -9.105 -12.066 -15.320 1.00 0.87 C ATOM 4 O MET A 1 -10.098 -12.191 -14.594 1.00 1.29 O ATOM 5 CB MET A 1 -9.854 -14.157 -16.483 1.00 1.60 C ATOM 6 CG MET A 1 -9.532 -15.214 -17.536 1.00 2.33 C ATOM 7 SD MET A 1 -8.616 -16.604 -16.852 1.00 3.31 S ATOM 8 CE MET A 1 -9.040 -17.905 -18.017 1.00 4.33 C ATOM 0 H1 MET A 1 -6.710 -13.799 -16.392 1.00 1.74 H new ATOM 0 H2 MET A 1 -7.233 -13.443 -14.816 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.727 -14.882 -15.570 1.00 1.74 H new ATOM 0 HA MET A 1 -8.430 -12.756 -17.244 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.090 -14.647 -15.538 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.742 -13.603 -16.786 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.460 -15.576 -17.979 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.951 -14.759 -18.339 1.00 2.33 H new ATOM 0 HE1 MET A 1 -8.545 -18.831 -17.724 1.00 4.33 H new ATOM 0 HE2 MET A 1 -10.120 -18.055 -18.018 1.00 4.33 H new ATOM 0 HE3 MET A 1 -8.713 -17.619 -19.017 1.00 4.33 H new ATOM 20 N GLU A 2 -8.329 -10.988 -15.299 1.00 0.51 N ATOM 21 CA GLU A 2 -8.595 -9.864 -14.412 1.00 0.37 C ATOM 22 C GLU A 2 -8.119 -8.536 -15.012 1.00 0.34 C ATOM 23 O GLU A 2 -7.517 -8.497 -16.091 1.00 0.48 O ATOM 24 CB GLU A 2 -7.917 -10.136 -13.081 1.00 0.53 C ATOM 25 CG GLU A 2 -6.405 -10.120 -13.218 1.00 0.96 C ATOM 26 CD GLU A 2 -5.817 -11.519 -13.107 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.087 -12.352 -13.994 1.00 2.16 O ATOM 28 OE2 GLU A 2 -5.089 -11.790 -12.128 1.00 2.09 O ATOM 0 H GLU A 2 -7.506 -10.870 -15.890 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.671 -9.767 -14.270 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.226 -9.386 -12.353 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -8.239 -11.104 -12.698 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.131 -9.685 -14.179 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -5.976 -9.482 -12.445 1.00 0.96 H new ATOM 35 N GLY A 3 -8.390 -7.455 -14.292 1.00 0.25 N ATOM 36 CA GLY A 3 -8.003 -6.106 -14.706 1.00 0.28 C ATOM 37 C GLY A 3 -8.956 -5.077 -14.106 1.00 0.22 C ATOM 38 O GLY A 3 -9.733 -5.391 -13.198 1.00 0.22 O ATOM 0 H GLY A 3 -8.886 -7.486 -13.401 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.982 -5.898 -14.385 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.016 -6.034 -15.794 1.00 0.28 H new ATOM 42 N PHE A 4 -8.901 -3.847 -14.607 1.00 0.24 N ATOM 43 CA PHE A 4 -9.759 -2.768 -14.108 1.00 0.21 C ATOM 44 C PHE A 4 -11.059 -2.688 -14.909 1.00 0.22 C ATOM 45 O PHE A 4 -11.096 -2.994 -16.102 1.00 0.27 O ATOM 46 CB PHE A 4 -9.016 -1.423 -14.167 1.00 0.23 C ATOM 47 CG PHE A 4 -8.117 -1.197 -12.969 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.649 -0.766 -11.763 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.754 -1.415 -13.082 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.819 -0.555 -10.674 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.926 -1.204 -11.994 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.488 -0.794 -10.765 1.00 0.41 C ATOM 0 H PHE A 4 -8.271 -3.568 -15.360 1.00 0.24 H new ATOM 0 HA PHE A 4 -10.010 -2.988 -13.070 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.418 -1.383 -15.077 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.743 -0.613 -14.228 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.711 -0.595 -11.673 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.337 -1.750 -14.020 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.236 -0.197 -9.744 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.860 -1.351 -12.084 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.857 -0.671 -9.897 1.00 0.41 H new ATOM 62 N LEU A 5 -12.115 -2.255 -14.231 1.00 0.19 N ATOM 63 CA LEU A 5 -13.441 -2.097 -14.829 1.00 0.21 C ATOM 64 C LEU A 5 -14.209 -1.038 -14.046 1.00 0.20 C ATOM 65 O LEU A 5 -14.150 -1.001 -12.813 1.00 0.21 O ATOM 66 CB LEU A 5 -14.240 -3.417 -14.773 1.00 0.23 C ATOM 67 CG LEU A 5 -14.127 -4.257 -16.053 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.955 -5.539 -15.918 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.568 -3.466 -17.286 1.00 0.31 C ATOM 0 H LEU A 5 -12.078 -2.001 -13.244 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.316 -1.805 -15.872 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.889 -4.009 -13.928 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.290 -3.189 -14.589 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.078 -4.521 -16.188 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.867 -6.127 -16.832 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.587 -6.123 -15.074 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -16.001 -5.281 -15.752 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.474 -4.093 -18.173 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.607 -3.157 -17.168 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.938 -2.584 -17.397 1.00 0.31 H new ATOM 81 N ASN A 6 -14.974 -0.214 -14.750 1.00 0.22 N ATOM 82 CA ASN A 6 -15.806 0.801 -14.103 1.00 0.23 C ATOM 83 C ASN A 6 -17.132 0.125 -13.765 1.00 0.22 C ATOM 84 O ASN A 6 -17.740 -0.489 -14.634 1.00 0.26 O ATOM 85 CB ASN A 6 -15.996 2.021 -15.024 1.00 0.28 C ATOM 86 CG ASN A 6 -15.434 3.287 -14.375 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.036 3.849 -13.458 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.286 3.743 -14.851 1.00 1.24 N ATOM 0 H ASN A 6 -15.038 -0.226 -15.768 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.337 1.183 -13.196 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.497 1.844 -15.977 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -17.056 2.158 -15.240 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.870 4.587 -14.458 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.817 3.250 -15.611 1.00 1.24 H new ATOM 95 N ARG A 7 -17.539 0.171 -12.496 1.00 0.23 N ATOM 96 CA ARG A 7 -18.764 -0.504 -12.042 1.00 0.24 C ATOM 97 C ARG A 7 -19.869 0.491 -11.688 1.00 0.25 C ATOM 98 O ARG A 7 -19.802 1.177 -10.662 1.00 0.32 O ATOM 99 CB ARG A 7 -18.443 -1.379 -10.812 1.00 0.28 C ATOM 100 CG ARG A 7 -19.653 -2.218 -10.363 1.00 0.34 C ATOM 101 CD ARG A 7 -19.272 -3.228 -9.268 1.00 0.54 C ATOM 102 NE ARG A 7 -19.664 -2.734 -7.935 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.550 -3.490 -6.833 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.350 -3.772 -6.329 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.637 -3.940 -6.222 1.00 1.71 N ATOM 0 H ARG A 7 -17.039 0.669 -11.759 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.127 -1.123 -12.863 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.611 -2.042 -11.047 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.120 -0.741 -9.989 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.436 -1.557 -9.991 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -20.065 -2.750 -11.221 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.759 -4.183 -9.464 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.197 -3.408 -9.292 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.034 -1.787 -7.848 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.510 -3.412 -6.781 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.271 -4.348 -5.491 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.560 -3.711 -6.590 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.550 -4.515 -5.384 1.00 1.71 H new ATOM 119 N LYS A 8 -20.913 0.528 -12.516 1.00 0.27 N ATOM 120 CA LYS A 8 -22.073 1.385 -12.281 1.00 0.29 C ATOM 121 C LYS A 8 -23.169 0.519 -11.672 1.00 0.29 C ATOM 122 O LYS A 8 -23.930 -0.135 -12.390 1.00 0.38 O ATOM 123 CB LYS A 8 -22.571 1.995 -13.590 1.00 0.36 C ATOM 124 CG LYS A 8 -23.483 3.211 -13.351 1.00 0.37 C ATOM 125 CD LYS A 8 -24.668 3.234 -14.337 1.00 0.50 C ATOM 126 CE LYS A 8 -25.983 2.843 -13.647 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.370 3.822 -12.589 1.00 1.02 N ATOM 0 H LYS A 8 -20.978 -0.033 -13.365 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.801 2.202 -11.613 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.717 2.296 -14.197 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.115 1.240 -14.158 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.860 3.188 -12.329 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.903 4.128 -13.457 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.765 4.230 -14.768 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.470 2.548 -15.161 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.778 2.779 -14.390 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.880 1.852 -13.204 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.406 3.852 -12.506 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.958 3.531 -11.680 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.016 4.766 -12.844 1.00 1.02 H new ATOM 141 N HIS A 9 -23.229 0.487 -10.353 1.00 0.43 N ATOM 142 CA HIS A 9 -24.218 -0.322 -9.645 1.00 0.52 C ATOM 143 C HIS A 9 -25.500 0.483 -9.413 1.00 0.58 C ATOM 144 O HIS A 9 -25.509 1.457 -8.664 1.00 0.73 O ATOM 145 CB HIS A 9 -23.630 -0.845 -8.314 1.00 0.68 C ATOM 146 CG HIS A 9 -23.104 0.216 -7.375 1.00 0.88 C ATOM 147 ND1 HIS A 9 -22.788 -0.039 -6.068 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.822 1.536 -7.547 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.338 1.036 -5.469 1.00 1.69 C ATOM 150 NE2 HIS A 9 -22.344 2.025 -6.347 1.00 1.75 N ATOM 0 H HIS A 9 -22.603 1.013 -9.743 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.474 -1.185 -10.259 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.401 -1.415 -7.795 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -22.820 -1.538 -8.542 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -22.890 -0.949 -5.618 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -22.949 2.100 -8.459 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.018 1.103 -4.440 1.00 1.69 H new ATOM 158 N GLU A 10 -26.579 0.066 -10.069 1.00 0.60 N ATOM 159 CA GLU A 10 -27.885 0.729 -9.947 1.00 0.73 C ATOM 160 C GLU A 10 -28.712 0.037 -8.864 1.00 0.83 C ATOM 161 O GLU A 10 -29.362 0.688 -8.044 1.00 1.00 O ATOM 162 CB GLU A 10 -28.625 0.669 -11.294 1.00 0.79 C ATOM 163 CG GLU A 10 -29.949 1.449 -11.270 1.00 1.28 C ATOM 164 CD GLU A 10 -29.697 2.946 -11.143 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.937 3.496 -11.963 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.258 3.577 -10.228 1.00 1.72 O ATOM 0 H GLU A 10 -26.579 -0.737 -10.699 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.737 1.773 -9.670 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.983 1.073 -12.077 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.824 -0.372 -11.550 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.511 1.247 -12.182 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.562 1.107 -10.436 1.00 1.28 H new ATOM 173 N TRP A 11 -28.681 -1.293 -8.874 1.00 0.82 N ATOM 174 CA TRP A 11 -29.423 -2.100 -7.913 1.00 0.96 C ATOM 175 C TRP A 11 -28.635 -3.372 -7.592 1.00 0.94 C ATOM 176 O TRP A 11 -28.330 -4.167 -8.483 1.00 0.84 O ATOM 177 CB TRP A 11 -30.807 -2.440 -8.496 1.00 1.08 C ATOM 178 CG TRP A 11 -31.636 -3.350 -7.633 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.260 -3.030 -6.458 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.937 -4.739 -7.887 1.00 1.26 C ATOM 181 NE1 TRP A 11 -32.915 -4.135 -5.996 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.740 -5.192 -6.836 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.605 -5.636 -8.906 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.209 -6.494 -6.779 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.069 -6.940 -8.855 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.866 -7.365 -7.800 1.00 1.53 C ATOM 0 H TRP A 11 -28.142 -1.839 -9.547 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.563 -1.543 -6.987 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.357 -1.513 -8.659 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.672 -2.907 -9.472 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.238 -2.064 -5.976 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.463 -4.165 -5.136 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.988 -5.313 -9.731 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -33.828 -6.823 -5.957 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.809 -7.632 -9.642 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.222 -8.384 -7.775 1.00 1.53 H new ATOM 197 N GLU A 12 -28.329 -3.558 -6.312 1.00 1.16 N ATOM 198 CA GLU A 12 -27.600 -4.735 -5.838 1.00 1.26 C ATOM 199 C GLU A 12 -27.959 -4.989 -4.370 1.00 1.56 C ATOM 200 O GLU A 12 -27.087 -5.120 -3.511 1.00 2.03 O ATOM 201 CB GLU A 12 -26.079 -4.554 -6.020 1.00 1.34 C ATOM 202 CG GLU A 12 -25.588 -3.189 -5.524 1.00 1.63 C ATOM 203 CD GLU A 12 -24.062 -3.152 -5.466 1.00 1.81 C ATOM 204 OE1 GLU A 12 -23.408 -4.021 -6.079 1.00 2.05 O ATOM 205 OE2 GLU A 12 -23.516 -2.244 -4.816 1.00 2.09 O ATOM 0 H GLU A 12 -28.578 -2.900 -5.573 1.00 1.16 H new ATOM 0 HA GLU A 12 -27.891 -5.603 -6.430 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -25.555 -5.343 -5.481 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -25.826 -4.667 -7.074 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -25.951 -2.404 -6.187 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -25.999 -2.986 -4.535 1.00 1.63 H new ATOM 212 N ALA A 13 -29.261 -5.049 -4.105 1.00 1.77 N ATOM 213 CA ALA A 13 -29.791 -5.280 -2.764 1.00 2.14 C ATOM 214 C ALA A 13 -31.175 -5.914 -2.885 1.00 2.15 C ATOM 215 O ALA A 13 -31.296 -7.044 -3.357 1.00 2.54 O ATOM 216 CB ALA A 13 -29.847 -3.957 -1.987 1.00 2.70 C ATOM 0 H ALA A 13 -29.982 -4.938 -4.818 1.00 1.77 H new ATOM 0 HA ALA A 13 -29.140 -5.959 -2.213 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -30.243 -4.138 -0.988 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -28.844 -3.538 -1.909 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -30.494 -3.254 -2.512 1.00 2.70 H new ATOM 222 N HIS A 14 -32.214 -5.188 -2.472 1.00 2.38 N ATOM 223 CA HIS A 14 -33.596 -5.682 -2.542 1.00 2.81 C ATOM 224 C HIS A 14 -34.519 -4.569 -3.034 1.00 2.77 C ATOM 225 O HIS A 14 -34.967 -4.589 -4.179 1.00 3.31 O ATOM 226 CB HIS A 14 -34.054 -6.185 -1.163 1.00 3.51 C ATOM 227 CG HIS A 14 -33.445 -7.505 -0.785 1.00 3.99 C ATOM 228 ND1 HIS A 14 -33.832 -8.700 -1.337 1.00 4.73 N ATOM 229 CD2 HIS A 14 -32.449 -7.826 0.079 1.00 4.33 C ATOM 230 CE1 HIS A 14 -33.128 -9.695 -0.853 1.00 5.34 C ATOM 231 NE2 HIS A 14 -32.267 -9.197 0.022 1.00 5.13 N ATOM 0 H HIS A 14 -32.127 -4.249 -2.082 1.00 2.38 H new ATOM 0 HA HIS A 14 -33.639 -6.515 -3.244 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -33.795 -5.443 -0.408 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.140 -6.278 -1.159 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -31.897 -7.136 0.700 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -33.232 -10.736 -1.120 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -31.586 -9.732 0.561 1.00 5.13 H new ATOM 239 N ASN A 15 -34.799 -3.601 -2.163 1.00 2.64 N ATOM 240 CA ASN A 15 -35.676 -2.464 -2.492 1.00 2.83 C ATOM 241 C ASN A 15 -34.885 -1.150 -2.576 1.00 2.48 C ATOM 242 O ASN A 15 -35.367 -0.171 -3.150 1.00 2.96 O ATOM 243 CB ASN A 15 -36.821 -2.339 -1.457 1.00 3.64 C ATOM 244 CG ASN A 15 -36.301 -2.276 -0.012 1.00 4.19 C ATOM 245 OD1 ASN A 15 -35.589 -3.171 0.443 1.00 4.25 O ATOM 246 ND2 ASN A 15 -36.664 -1.230 0.716 1.00 4.99 N ATOM 0 H ASN A 15 -34.430 -3.577 -1.213 1.00 2.64 H new ATOM 0 HA ASN A 15 -36.111 -2.657 -3.473 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -37.403 -1.443 -1.670 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -37.495 -3.189 -1.561 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -36.352 -1.149 1.684 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -37.255 -0.505 0.308 1.00 4.99 H new ATOM 253 N LYS A 16 -33.676 -1.132 -2.011 1.00 2.30 N ATOM 254 CA LYS A 16 -32.824 0.061 -2.025 1.00 2.46 C ATOM 255 C LYS A 16 -31.937 0.087 -3.274 1.00 2.10 C ATOM 256 O LYS A 16 -31.382 -0.940 -3.682 1.00 2.44 O ATOM 257 CB LYS A 16 -31.934 0.090 -0.777 1.00 3.26 C ATOM 258 CG LYS A 16 -32.752 0.099 0.523 1.00 3.87 C ATOM 259 CD LYS A 16 -32.792 1.495 1.155 1.00 4.83 C ATOM 260 CE LYS A 16 -33.027 1.418 2.668 1.00 5.52 C ATOM 261 NZ LYS A 16 -34.143 0.486 3.005 1.00 6.03 N ATOM 0 H LYS A 16 -33.262 -1.934 -1.536 1.00 2.30 H new ATOM 0 HA LYS A 16 -33.474 0.936 -2.034 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -31.275 -0.778 -0.783 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -31.297 0.974 -0.809 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -33.768 -0.237 0.316 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -32.320 -0.609 1.230 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -31.853 2.013 0.957 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -33.584 2.083 0.692 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -32.114 1.086 3.162 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -33.254 2.412 3.052 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -34.443 0.645 3.988 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -34.945 0.659 2.366 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -33.820 -0.496 2.896 1.00 6.03 H new ATOM 275 N LYS A 17 -31.786 1.280 -3.850 1.00 1.88 N ATOM 276 CA LYS A 17 -30.948 1.495 -5.032 1.00 1.62 C ATOM 277 C LYS A 17 -29.558 1.965 -4.591 1.00 1.62 C ATOM 278 O LYS A 17 -29.409 2.607 -3.546 1.00 2.06 O ATOM 279 CB LYS A 17 -31.582 2.552 -5.948 1.00 1.84 C ATOM 280 CG LYS A 17 -32.878 2.045 -6.583 1.00 2.30 C ATOM 281 CD LYS A 17 -32.950 2.387 -8.076 1.00 2.75 C ATOM 282 CE LYS A 17 -33.219 3.881 -8.307 1.00 3.27 C ATOM 283 NZ LYS A 17 -31.957 4.641 -8.532 1.00 3.75 N ATOM 0 H LYS A 17 -32.242 2.127 -3.510 1.00 1.88 H new ATOM 0 HA LYS A 17 -30.862 0.558 -5.582 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -31.787 3.456 -5.374 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -30.875 2.826 -6.732 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.949 0.965 -6.453 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.732 2.484 -6.067 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.013 2.108 -8.558 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -33.738 1.799 -8.546 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -33.876 4.003 -9.168 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -33.743 4.294 -7.445 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -32.132 5.413 -9.206 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -31.625 5.038 -7.630 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -31.232 4.003 -8.917 1.00 3.75 H new ATOM 297 N ALA A 18 -28.545 1.659 -5.400 1.00 1.43 N ATOM 298 CA ALA A 18 -27.164 2.064 -5.109 1.00 1.61 C ATOM 299 C ALA A 18 -26.933 3.494 -5.609 1.00 1.86 C ATOM 300 O ALA A 18 -27.457 3.884 -6.658 1.00 2.10 O ATOM 301 CB ALA A 18 -26.179 1.091 -5.767 1.00 1.58 C ATOM 0 H ALA A 18 -28.652 1.130 -6.266 1.00 1.43 H new ATOM 0 HA ALA A 18 -26.998 2.038 -4.032 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -25.158 1.401 -5.545 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -26.346 0.086 -5.379 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -26.332 1.093 -6.846 1.00 1.58 H new ATOM 307 N SER A 19 -26.173 4.282 -4.853 1.00 2.24 N ATOM 308 CA SER A 19 -25.903 5.679 -5.219 1.00 2.71 C ATOM 309 C SER A 19 -24.545 6.142 -4.669 1.00 2.85 C ATOM 310 O SER A 19 -24.407 7.274 -4.202 1.00 3.33 O ATOM 311 CB SER A 19 -27.033 6.582 -4.687 1.00 3.28 C ATOM 312 OG SER A 19 -28.311 6.085 -5.083 1.00 3.62 O ATOM 0 H SER A 19 -25.732 3.982 -3.984 1.00 2.24 H new ATOM 0 HA SER A 19 -25.865 5.752 -6.306 1.00 2.71 H new ATOM 0 HB2 SER A 19 -26.980 6.635 -3.600 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.901 7.597 -5.063 1.00 3.28 H new ATOM 0 HG SER A 19 -29.013 6.672 -4.733 1.00 3.62 H new ATOM 318 N SER A 20 -23.542 5.268 -4.750 1.00 2.92 N ATOM 319 CA SER A 20 -22.185 5.582 -4.293 1.00 3.46 C ATOM 320 C SER A 20 -21.316 5.905 -5.509 1.00 3.36 C ATOM 321 O SER A 20 -20.743 5.005 -6.123 1.00 3.74 O ATOM 322 CB SER A 20 -21.606 4.408 -3.514 1.00 4.13 C ATOM 323 OG SER A 20 -22.426 4.098 -2.390 1.00 4.31 O ATOM 0 H SER A 20 -23.644 4.328 -5.132 1.00 2.92 H new ATOM 0 HA SER A 20 -22.210 6.445 -3.628 1.00 3.46 H new ATOM 0 HB2 SER A 20 -21.527 3.537 -4.164 1.00 4.13 H new ATOM 0 HB3 SER A 20 -20.597 4.649 -3.179 1.00 4.13 H new ATOM 0 HG SER A 20 -22.040 3.341 -1.902 1.00 4.31 H new ATOM 329 N ARG A 21 -21.265 7.196 -5.870 1.00 3.28 N ATOM 330 CA ARG A 21 -20.505 7.698 -7.035 1.00 3.37 C ATOM 331 C ARG A 21 -21.202 7.335 -8.360 1.00 2.30 C ATOM 332 O ARG A 21 -21.146 8.107 -9.320 1.00 2.78 O ATOM 333 CB ARG A 21 -19.051 7.184 -7.033 1.00 4.44 C ATOM 334 CG ARG A 21 -18.311 7.594 -5.756 1.00 5.18 C ATOM 335 CD ARG A 21 -17.766 6.374 -5.006 1.00 5.89 C ATOM 336 NE ARG A 21 -17.256 6.773 -3.694 1.00 6.25 N ATOM 337 CZ ARG A 21 -16.361 6.045 -3.021 1.00 6.92 C ATOM 338 NH1 ARG A 21 -15.088 6.045 -3.390 1.00 7.30 N ATOM 339 NH2 ARG A 21 -16.751 5.287 -2.012 1.00 7.43 N ATOM 0 H ARG A 21 -21.753 7.932 -5.359 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.477 8.784 -6.950 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -19.048 6.098 -7.123 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -18.524 7.577 -7.902 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -17.489 8.263 -6.010 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -18.986 8.150 -5.106 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -18.553 5.630 -4.887 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -16.971 5.907 -5.587 1.00 5.89 H new ATOM 0 HE ARG A 21 -17.597 7.640 -3.278 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -14.789 6.602 -4.190 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -14.407 5.488 -2.874 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -17.736 5.258 -1.747 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -16.068 4.731 -1.498 1.00 7.43 H new ATOM 353 N SER A 22 -21.854 6.164 -8.400 1.00 1.32 N ATOM 354 CA SER A 22 -22.570 5.669 -9.581 1.00 0.74 C ATOM 355 C SER A 22 -21.667 5.643 -10.816 1.00 0.68 C ATOM 356 O SER A 22 -21.980 6.244 -11.837 1.00 1.69 O ATOM 357 CB SER A 22 -23.807 6.508 -9.845 1.00 1.62 C ATOM 358 OG SER A 22 -24.675 6.506 -8.715 1.00 1.86 O ATOM 0 H SER A 22 -21.898 5.528 -7.604 1.00 1.32 H new ATOM 0 HA SER A 22 -22.879 4.644 -9.374 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.514 7.531 -10.081 1.00 1.62 H new ATOM 0 HB3 SER A 22 -24.336 6.119 -10.715 1.00 1.62 H new ATOM 0 HG SER A 22 -25.464 7.054 -8.908 1.00 1.86 H new ATOM 364 N TRP A 23 -20.558 4.934 -10.656 1.00 0.69 N ATOM 365 CA TRP A 23 -19.492 4.733 -11.661 1.00 0.41 C ATOM 366 C TRP A 23 -18.164 4.683 -10.902 1.00 0.40 C ATOM 367 O TRP A 23 -17.390 5.640 -10.917 1.00 0.55 O ATOM 368 CB TRP A 23 -19.446 5.830 -12.769 1.00 0.43 C ATOM 369 CG TRP A 23 -20.263 5.465 -13.990 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.283 6.186 -14.555 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.132 4.268 -14.787 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.776 5.486 -15.622 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.103 4.319 -15.791 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.292 3.157 -14.735 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.249 3.305 -16.729 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.432 2.141 -15.669 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.404 2.212 -16.655 1.00 0.31 C ATOM 0 H TRP A 23 -20.355 4.453 -9.780 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.695 3.805 -12.196 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.815 6.770 -12.359 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.411 5.996 -13.067 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.638 7.147 -14.214 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.547 5.799 -16.212 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.534 3.087 -13.969 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.005 3.368 -17.498 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.776 1.284 -15.628 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.502 1.409 -17.370 1.00 0.31 H new ATOM 388 N HIS A 24 -17.932 3.571 -10.202 1.00 0.37 N ATOM 389 CA HIS A 24 -16.733 3.371 -9.394 1.00 0.45 C ATOM 390 C HIS A 24 -15.714 2.514 -10.155 1.00 0.36 C ATOM 391 O HIS A 24 -16.047 1.424 -10.625 1.00 0.34 O ATOM 392 CB HIS A 24 -17.161 2.662 -8.102 1.00 0.61 C ATOM 393 CG HIS A 24 -16.180 2.741 -6.981 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.379 3.825 -6.724 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.898 1.856 -6.008 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.650 3.623 -5.652 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.942 2.420 -5.181 1.00 2.74 N ATOM 0 H HIS A 24 -18.576 2.780 -10.181 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.261 4.328 -9.169 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.106 3.089 -7.768 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.348 1.612 -8.327 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -16.340 0.877 -5.892 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.938 4.315 -5.228 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -14.534 1.985 -4.354 1.00 2.74 H new ATOM 405 N ASN A 25 -14.475 2.997 -10.253 1.00 0.37 N ATOM 406 CA ASN A 25 -13.396 2.264 -10.931 1.00 0.35 C ATOM 407 C ASN A 25 -12.831 1.224 -9.964 1.00 0.34 C ATOM 408 O ASN A 25 -12.194 1.572 -8.967 1.00 0.55 O ATOM 409 CB ASN A 25 -12.302 3.245 -11.385 1.00 0.44 C ATOM 410 CG ASN A 25 -11.329 2.573 -12.359 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.739 1.993 -13.365 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.040 2.662 -12.071 1.00 1.49 N ATOM 0 H ASN A 25 -14.189 3.898 -9.870 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.781 1.758 -11.817 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.761 4.110 -11.863 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.756 3.613 -10.516 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.348 2.242 -12.692 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.738 3.151 -11.228 1.00 1.49 H new ATOM 419 N VAL A 26 -13.103 -0.048 -10.242 1.00 0.22 N ATOM 420 CA VAL A 26 -12.662 -1.149 -9.382 1.00 0.21 C ATOM 421 C VAL A 26 -11.912 -2.213 -10.192 1.00 0.18 C ATOM 422 O VAL A 26 -12.009 -2.261 -11.420 1.00 0.23 O ATOM 423 CB VAL A 26 -13.899 -1.740 -8.670 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.736 -2.614 -9.606 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.497 -2.521 -7.422 1.00 0.31 C ATOM 0 H VAL A 26 -13.631 -0.346 -11.062 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.962 -0.777 -8.634 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.520 -0.898 -8.364 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.595 -3.009 -9.064 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.082 -2.016 -10.449 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.128 -3.441 -9.973 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.389 -2.925 -6.943 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.834 -3.339 -7.703 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -12.981 -1.858 -6.728 1.00 0.31 H new ATOM 435 N TYR A 27 -11.161 -3.062 -9.489 1.00 0.16 N ATOM 436 CA TYR A 27 -10.380 -4.135 -10.113 1.00 0.16 C ATOM 437 C TYR A 27 -11.135 -5.461 -9.987 1.00 0.19 C ATOM 438 O TYR A 27 -11.281 -6.001 -8.889 1.00 0.34 O ATOM 439 CB TYR A 27 -9.003 -4.227 -9.443 1.00 0.17 C ATOM 440 CG TYR A 27 -8.002 -5.039 -10.235 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.429 -4.499 -11.371 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.653 -6.316 -9.828 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.506 -5.228 -12.096 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.731 -7.048 -10.557 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.160 -6.499 -11.687 1.00 0.29 C ATOM 446 OH TYR A 27 -5.235 -7.220 -12.407 1.00 0.37 O ATOM 0 H TYR A 27 -11.076 -3.027 -8.473 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.236 -3.917 -11.171 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.610 -3.221 -9.298 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.117 -4.670 -8.454 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.703 -3.505 -11.693 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.100 -6.741 -8.942 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -6.056 -4.803 -12.981 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.460 -8.045 -10.242 1.00 0.30 H new ATOM 0 HH TYR A 27 -4.600 -6.606 -12.832 1.00 0.37 H new ATOM 456 N CYS A 28 -11.623 -5.971 -11.115 1.00 0.16 N ATOM 457 CA CYS A 28 -12.380 -7.226 -11.152 1.00 0.19 C ATOM 458 C CYS A 28 -11.459 -8.410 -11.464 1.00 0.19 C ATOM 459 O CYS A 28 -10.620 -8.336 -12.365 1.00 0.23 O ATOM 460 CB CYS A 28 -13.481 -7.125 -12.211 1.00 0.23 C ATOM 461 SG CYS A 28 -14.505 -5.657 -12.002 1.00 0.34 S ATOM 0 H CYS A 28 -11.507 -5.530 -12.028 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.828 -7.394 -10.173 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.027 -7.110 -13.202 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.111 -8.013 -12.162 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.259 -5.799 -10.952 1.00 0.34 H new ATOM 467 N VAL A 29 -11.632 -9.499 -10.718 1.00 0.21 N ATOM 468 CA VAL A 29 -10.839 -10.718 -10.897 1.00 0.24 C ATOM 469 C VAL A 29 -11.788 -11.911 -11.020 1.00 0.26 C ATOM 470 O VAL A 29 -12.479 -12.252 -10.061 1.00 0.38 O ATOM 471 CB VAL A 29 -9.896 -10.912 -9.697 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.014 -12.149 -9.883 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.023 -9.675 -9.466 1.00 0.33 C ATOM 0 H VAL A 29 -12.325 -9.563 -9.972 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.235 -10.636 -11.801 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.521 -11.059 -8.817 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.358 -12.261 -9.020 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.643 -13.034 -9.978 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.412 -12.034 -10.784 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.369 -9.846 -8.611 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.419 -9.485 -10.353 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.659 -8.812 -9.269 1.00 0.33 H new ATOM 483 N ILE A 30 -11.824 -12.532 -12.202 1.00 0.28 N ATOM 484 CA ILE A 30 -12.700 -13.685 -12.452 1.00 0.32 C ATOM 485 C ILE A 30 -12.036 -14.971 -11.959 1.00 0.35 C ATOM 486 O ILE A 30 -10.865 -15.230 -12.248 1.00 0.44 O ATOM 487 CB ILE A 30 -13.021 -13.807 -13.952 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.429 -12.451 -14.541 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.137 -14.828 -14.186 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.639 -12.540 -16.055 1.00 0.57 C ATOM 0 H ILE A 30 -11.256 -12.257 -13.004 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.631 -13.531 -11.906 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.116 -14.148 -14.456 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.347 -12.107 -14.064 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.659 -11.711 -14.322 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.348 -14.898 -15.253 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.822 -15.803 -13.813 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.037 -14.511 -13.659 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -13.927 -11.562 -16.440 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.713 -12.860 -16.533 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.427 -13.262 -16.271 1.00 0.57 H new ATOM 502 N ASN A 31 -12.797 -15.768 -11.220 1.00 0.46 N ATOM 503 CA ASN A 31 -12.323 -17.033 -10.669 1.00 0.58 C ATOM 504 C ASN A 31 -13.371 -18.121 -10.936 1.00 0.71 C ATOM 505 O ASN A 31 -14.167 -18.470 -10.063 1.00 1.20 O ATOM 506 CB ASN A 31 -12.062 -16.863 -9.161 1.00 0.73 C ATOM 507 CG ASN A 31 -11.576 -18.167 -8.523 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.683 -18.833 -9.042 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.164 -18.520 -7.391 1.00 1.47 N ATOM 0 H ASN A 31 -13.766 -15.555 -10.984 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.389 -17.332 -11.145 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.318 -16.082 -9.006 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.977 -16.535 -8.668 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.880 -19.375 -6.914 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.901 -17.937 -6.996 1.00 1.47 H new ATOM 516 N ASN A 32 -13.362 -18.648 -12.161 1.00 0.85 N ATOM 517 CA ASN A 32 -14.290 -19.707 -12.594 1.00 1.00 C ATOM 518 C ASN A 32 -15.754 -19.221 -12.622 1.00 1.00 C ATOM 519 O ASN A 32 -16.165 -18.552 -13.570 1.00 1.97 O ATOM 520 CB ASN A 32 -14.119 -20.964 -11.710 1.00 1.24 C ATOM 521 CG ASN A 32 -14.786 -22.185 -12.352 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.846 -22.630 -11.911 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.164 -22.727 -13.387 1.00 2.52 N ATOM 0 H ASN A 32 -12.710 -18.355 -12.888 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.038 -19.974 -13.620 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.058 -21.163 -11.557 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.554 -20.783 -10.727 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.562 -23.544 -13.850 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.287 -22.327 -13.721 1.00 2.52 H new ATOM 530 N GLN A 33 -16.542 -19.585 -11.600 1.00 0.75 N ATOM 531 CA GLN A 33 -17.968 -19.215 -11.534 1.00 0.67 C ATOM 532 C GLN A 33 -18.222 -17.999 -10.629 1.00 0.56 C ATOM 533 O GLN A 33 -19.395 -17.616 -10.435 1.00 0.71 O ATOM 534 CB GLN A 33 -18.792 -20.422 -11.040 1.00 0.83 C ATOM 535 CG GLN A 33 -19.845 -20.857 -12.075 1.00 1.46 C ATOM 536 CD GLN A 33 -19.522 -22.248 -12.621 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.777 -23.253 -11.962 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.968 -22.307 -13.822 1.00 2.67 N ATOM 0 H GLN A 33 -16.218 -20.136 -10.805 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.279 -18.933 -12.540 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.123 -21.257 -10.829 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.287 -20.165 -10.103 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.834 -20.861 -11.616 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.877 -20.138 -12.893 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.773 -21.448 -14.336 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.737 -23.211 -14.233 1.00 2.67 H new ATOM 547 N GLU A 34 -17.148 -17.393 -10.081 1.00 0.53 N ATOM 548 CA GLU A 34 -17.286 -16.221 -9.211 1.00 0.49 C ATOM 549 C GLU A 34 -16.232 -15.174 -9.553 1.00 0.45 C ATOM 550 O GLU A 34 -15.312 -15.429 -10.331 1.00 0.64 O ATOM 551 CB GLU A 34 -17.186 -16.638 -7.734 1.00 0.61 C ATOM 552 CG GLU A 34 -15.844 -17.320 -7.403 1.00 1.25 C ATOM 553 CD GLU A 34 -15.074 -16.566 -6.317 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.704 -15.932 -5.449 1.00 1.79 O ATOM 555 OE2 GLU A 34 -13.829 -16.618 -6.325 1.00 1.89 O ATOM 0 H GLU A 34 -16.186 -17.698 -10.228 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.268 -15.778 -9.376 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.308 -15.758 -7.102 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.004 -17.318 -7.496 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.028 -18.343 -7.074 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.235 -17.380 -8.305 1.00 1.25 H new ATOM 562 N MET A 35 -16.376 -13.993 -8.964 1.00 0.36 N ATOM 563 CA MET A 35 -15.445 -12.889 -9.187 1.00 0.35 C ATOM 564 C MET A 35 -15.418 -11.981 -7.957 1.00 0.32 C ATOM 565 O MET A 35 -16.416 -11.859 -7.239 1.00 0.42 O ATOM 566 CB MET A 35 -15.839 -12.088 -10.438 1.00 0.41 C ATOM 567 CG MET A 35 -17.247 -11.501 -10.332 1.00 0.43 C ATOM 568 SD MET A 35 -17.769 -10.711 -11.864 1.00 0.60 S ATOM 569 CE MET A 35 -19.247 -9.839 -11.324 1.00 1.25 C ATOM 0 H MET A 35 -17.137 -13.772 -8.321 1.00 0.36 H new ATOM 0 HA MET A 35 -14.448 -13.298 -9.350 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.122 -11.281 -10.591 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.782 -12.735 -11.314 1.00 0.41 H new ATOM 0 HG2 MET A 35 -17.951 -12.293 -10.075 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.276 -10.773 -9.521 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.378 -8.939 -11.925 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.116 -10.486 -11.445 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.144 -9.563 -10.275 1.00 1.25 H new ATOM 579 N GLY A 36 -14.268 -11.363 -7.713 1.00 0.27 N ATOM 580 CA GLY A 36 -14.080 -10.472 -6.569 1.00 0.29 C ATOM 581 C GLY A 36 -13.675 -9.075 -7.025 1.00 0.25 C ATOM 582 O GLY A 36 -12.866 -8.919 -7.947 1.00 0.28 O ATOM 0 H GLY A 36 -13.440 -11.464 -8.300 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.003 -10.417 -5.991 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.314 -10.879 -5.909 1.00 0.29 H new ATOM 586 N PHE A 37 -14.237 -8.059 -6.366 1.00 0.24 N ATOM 587 CA PHE A 37 -13.943 -6.655 -6.673 1.00 0.25 C ATOM 588 C PHE A 37 -12.878 -6.127 -5.702 1.00 0.25 C ATOM 589 O PHE A 37 -13.167 -5.875 -4.532 1.00 0.40 O ATOM 590 CB PHE A 37 -15.223 -5.816 -6.559 1.00 0.30 C ATOM 591 CG PHE A 37 -16.293 -6.213 -7.557 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.089 -6.023 -8.916 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.479 -6.776 -7.112 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.067 -6.392 -9.823 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.456 -7.144 -8.023 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.250 -6.929 -9.387 1.00 0.33 C ATOM 0 H PHE A 37 -14.907 -8.184 -5.607 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.564 -6.581 -7.692 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.624 -5.913 -5.550 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.974 -4.765 -6.703 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.166 -5.586 -9.267 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.642 -6.928 -6.055 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.897 -6.256 -10.881 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.375 -7.596 -7.679 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.022 -7.186 -10.098 1.00 0.33 H new ATOM 606 N TYR A 38 -11.650 -5.968 -6.194 1.00 0.20 N ATOM 607 CA TYR A 38 -10.525 -5.475 -5.379 1.00 0.21 C ATOM 608 C TYR A 38 -10.121 -4.064 -5.815 1.00 0.21 C ATOM 609 O TYR A 38 -10.711 -3.491 -6.731 1.00 0.23 O ATOM 610 CB TYR A 38 -9.330 -6.431 -5.507 1.00 0.23 C ATOM 611 CG TYR A 38 -9.657 -7.850 -5.094 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.486 -8.247 -3.780 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.125 -8.755 -6.033 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.784 -9.546 -3.404 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.422 -10.053 -5.657 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.259 -10.440 -4.341 1.00 0.44 C ATOM 617 OH TYR A 38 -10.543 -11.732 -3.965 1.00 0.55 O ATOM 0 H TYR A 38 -11.401 -6.174 -7.162 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.841 -5.435 -4.336 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -8.981 -6.431 -6.540 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.509 -6.061 -4.893 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.120 -7.543 -3.047 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.258 -8.447 -7.060 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.645 -9.858 -2.380 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.780 -10.761 -6.390 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.869 -12.234 -4.741 1.00 0.55 H new ATOM 627 N LYS A 39 -9.102 -3.503 -5.156 1.00 0.25 N ATOM 628 CA LYS A 39 -8.618 -2.155 -5.485 1.00 0.29 C ATOM 629 C LYS A 39 -7.726 -2.201 -6.734 1.00 0.28 C ATOM 630 O LYS A 39 -7.816 -1.333 -7.598 1.00 0.33 O ATOM 631 CB LYS A 39 -7.844 -1.564 -4.296 1.00 0.36 C ATOM 632 CG LYS A 39 -7.704 -0.040 -4.401 1.00 0.70 C ATOM 633 CD LYS A 39 -7.485 0.612 -3.025 1.00 1.15 C ATOM 634 CE LYS A 39 -6.007 0.928 -2.758 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.189 -0.312 -2.638 1.00 2.51 N ATOM 0 H LYS A 39 -8.597 -3.957 -4.395 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.476 -1.516 -5.694 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.356 -1.818 -3.368 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.854 -2.016 -4.247 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -6.867 0.203 -5.055 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.600 0.376 -4.861 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.067 1.531 -2.964 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.858 -0.054 -2.247 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -5.615 1.545 -3.567 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.920 1.511 -1.841 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -4.211 -0.060 -2.391 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.588 -0.921 -1.895 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.197 -0.822 -3.544 1.00 2.51 H new ATOM 649 N ASP A 40 -6.872 -3.224 -6.819 1.00 0.28 N ATOM 650 CA ASP A 40 -5.960 -3.410 -7.960 1.00 0.32 C ATOM 651 C ASP A 40 -5.349 -4.819 -7.925 1.00 0.33 C ATOM 652 O ASP A 40 -5.718 -5.646 -7.082 1.00 0.32 O ATOM 653 CB ASP A 40 -4.852 -2.332 -7.971 1.00 0.38 C ATOM 654 CG ASP A 40 -3.858 -2.477 -6.812 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.164 -3.227 -5.862 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.771 -1.860 -6.853 1.00 0.94 O ATOM 0 H ASP A 40 -6.790 -3.947 -6.104 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.536 -3.301 -8.879 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.310 -2.387 -8.915 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.313 -1.345 -7.925 1.00 0.38 H new ATOM 661 N ALA A 41 -4.407 -5.082 -8.838 1.00 0.40 N ATOM 662 CA ALA A 41 -3.726 -6.386 -8.927 1.00 0.45 C ATOM 663 C ALA A 41 -2.980 -6.717 -7.626 1.00 0.45 C ATOM 664 O ALA A 41 -2.943 -7.872 -7.199 1.00 0.47 O ATOM 665 CB ALA A 41 -2.747 -6.387 -10.107 1.00 0.55 C ATOM 0 H ALA A 41 -4.094 -4.404 -9.533 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.485 -7.152 -9.085 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.248 -7.354 -10.165 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.293 -6.204 -11.033 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.003 -5.603 -9.963 1.00 0.55 H new ATOM 671 N LYS A 42 -2.407 -5.691 -6.987 1.00 0.46 N ATOM 672 CA LYS A 42 -1.680 -5.858 -5.724 1.00 0.48 C ATOM 673 C LYS A 42 -2.652 -6.238 -4.600 1.00 0.43 C ATOM 674 O LYS A 42 -2.382 -7.142 -3.807 1.00 0.47 O ATOM 675 CB LYS A 42 -0.935 -4.561 -5.370 1.00 0.54 C ATOM 676 CG LYS A 42 -0.220 -3.958 -6.588 1.00 0.77 C ATOM 677 CD LYS A 42 0.758 -4.954 -7.227 1.00 1.12 C ATOM 678 CE LYS A 42 2.044 -4.264 -7.702 1.00 1.96 C ATOM 679 NZ LYS A 42 1.757 -3.108 -8.604 1.00 2.76 N ATOM 0 H LYS A 42 -2.433 -4.730 -7.327 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.951 -6.660 -5.839 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.642 -3.835 -4.968 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.206 -4.764 -4.585 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.959 -3.650 -7.327 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.321 -3.062 -6.285 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.008 -5.732 -6.506 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.276 -5.446 -8.072 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.610 -3.918 -6.838 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.671 -4.986 -8.226 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.641 -2.787 -9.049 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.085 -3.402 -9.341 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.345 -2.330 -8.051 1.00 2.76 H new ATOM 693 N SER A 43 -3.794 -5.549 -4.551 1.00 0.38 N ATOM 694 CA SER A 43 -4.832 -5.803 -3.547 1.00 0.38 C ATOM 695 C SER A 43 -5.485 -7.177 -3.760 1.00 0.39 C ATOM 696 O SER A 43 -5.882 -7.837 -2.800 1.00 0.45 O ATOM 697 CB SER A 43 -5.889 -4.700 -3.612 1.00 0.37 C ATOM 698 OG SER A 43 -5.281 -3.426 -3.439 1.00 1.04 O ATOM 0 H SER A 43 -4.026 -4.801 -5.204 1.00 0.38 H new ATOM 0 HA SER A 43 -4.367 -5.803 -2.561 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.405 -4.737 -4.571 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.640 -4.860 -2.839 1.00 0.37 H new ATOM 0 HG SER A 43 -4.689 -3.240 -4.197 1.00 1.04 H new ATOM 704 N ALA A 44 -5.581 -7.602 -5.021 1.00 0.37 N ATOM 705 CA ALA A 44 -6.172 -8.899 -5.374 1.00 0.43 C ATOM 706 C ALA A 44 -5.250 -10.049 -4.957 1.00 0.51 C ATOM 707 O ALA A 44 -5.701 -11.033 -4.368 1.00 0.59 O ATOM 708 CB ALA A 44 -6.431 -8.961 -6.882 1.00 0.43 C ATOM 0 H ALA A 44 -5.254 -7.063 -5.823 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.117 -9.003 -4.840 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.869 -9.926 -7.137 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.118 -8.164 -7.166 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.490 -8.837 -7.418 1.00 0.43 H new ATOM 714 N ALA A 45 -3.958 -9.916 -5.266 1.00 0.54 N ATOM 715 CA ALA A 45 -2.958 -10.938 -4.930 1.00 0.64 C ATOM 716 C ALA A 45 -2.724 -11.018 -3.416 1.00 0.68 C ATOM 717 O ALA A 45 -2.588 -12.107 -2.856 1.00 0.76 O ATOM 718 CB ALA A 45 -1.641 -10.627 -5.647 1.00 0.69 C ATOM 0 H ALA A 45 -3.576 -9.105 -5.752 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.337 -11.905 -5.261 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.901 -11.387 -5.395 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.805 -10.623 -6.725 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.277 -9.649 -5.332 1.00 0.69 H new ATOM 724 N SER A 46 -2.670 -9.856 -2.763 1.00 0.65 N ATOM 725 CA SER A 46 -2.445 -9.781 -1.312 1.00 0.73 C ATOM 726 C SER A 46 -3.698 -10.216 -0.530 1.00 0.74 C ATOM 727 O SER A 46 -3.591 -10.886 0.500 1.00 0.84 O ATOM 728 CB SER A 46 -2.036 -8.351 -0.918 1.00 0.75 C ATOM 729 OG SER A 46 -1.351 -8.342 0.331 1.00 1.21 O ATOM 0 H SER A 46 -2.779 -8.948 -3.215 1.00 0.65 H new ATOM 0 HA SER A 46 -1.638 -10.467 -1.055 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.396 -7.926 -1.691 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.922 -7.720 -0.855 1.00 0.75 H new ATOM 0 HG SER A 46 -1.100 -7.423 0.560 1.00 1.21 H new ATOM 735 N GLY A 47 -4.877 -9.836 -1.021 1.00 0.70 N ATOM 736 CA GLY A 47 -6.148 -10.182 -0.377 1.00 0.74 C ATOM 737 C GLY A 47 -6.668 -9.015 0.453 1.00 0.75 C ATOM 738 O GLY A 47 -6.873 -9.139 1.661 1.00 0.88 O ATOM 0 H GLY A 47 -4.980 -9.283 -1.872 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.884 -10.452 -1.135 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.012 -11.056 0.260 1.00 0.74 H new ATOM 742 N ILE A 48 -6.887 -7.883 -0.212 1.00 0.67 N ATOM 743 CA ILE A 48 -7.394 -6.669 0.431 1.00 0.72 C ATOM 744 C ILE A 48 -8.694 -6.258 -0.264 1.00 0.75 C ATOM 745 O ILE A 48 -8.671 -5.793 -1.406 1.00 0.75 O ATOM 746 CB ILE A 48 -6.356 -5.533 0.342 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.007 -5.979 0.928 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.856 -4.288 1.083 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.884 -5.013 0.551 1.00 0.97 C ATOM 0 H ILE A 48 -6.718 -7.780 -1.213 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.583 -6.865 1.486 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.217 -5.288 -0.711 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.084 -6.043 2.013 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.765 -6.978 0.566 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.110 -3.497 1.009 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.790 -3.949 0.635 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.024 -4.532 2.132 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.945 -5.360 0.983 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.790 -4.970 -0.534 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.114 -4.019 0.935 1.00 0.97 H new ATOM 761 N PRO A 49 -9.852 -6.435 0.410 1.00 0.84 N ATOM 762 CA PRO A 49 -11.170 -6.094 -0.168 1.00 0.93 C ATOM 763 C PRO A 49 -11.393 -4.582 -0.320 1.00 0.93 C ATOM 764 O PRO A 49 -10.827 -3.774 0.421 1.00 1.08 O ATOM 765 CB PRO A 49 -12.170 -6.713 0.808 1.00 1.07 C ATOM 766 CG PRO A 49 -11.444 -6.815 2.109 1.00 1.06 C ATOM 767 CD PRO A 49 -9.981 -6.991 1.775 1.00 0.92 C ATOM 0 HA PRO A 49 -11.270 -6.475 -1.184 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.061 -6.093 0.903 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.499 -7.693 0.464 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.599 -5.919 2.710 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.812 -7.659 2.693 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.344 -6.461 2.483 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.688 -8.041 1.807 1.00 0.92 H new ATOM 775 N TYR A 50 -12.226 -4.224 -1.294 1.00 0.87 N ATOM 776 CA TYR A 50 -12.570 -2.832 -1.591 1.00 0.91 C ATOM 777 C TYR A 50 -14.087 -2.691 -1.502 1.00 1.12 C ATOM 778 O TYR A 50 -14.812 -3.189 -2.363 1.00 1.91 O ATOM 779 CB TYR A 50 -12.050 -2.479 -3.001 1.00 0.92 C ATOM 780 CG TYR A 50 -11.839 -1.001 -3.258 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.090 -0.231 -2.383 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.375 -0.421 -4.396 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.882 1.113 -2.647 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.168 0.920 -4.656 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.424 1.683 -3.783 1.00 1.17 C ATOM 786 OH TYR A 50 -11.221 3.022 -4.047 1.00 1.34 O ATOM 0 H TYR A 50 -12.687 -4.897 -1.906 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.110 -2.146 -0.880 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.106 -2.998 -3.163 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.756 -2.863 -3.738 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.668 -0.678 -1.495 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.957 -1.019 -5.082 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.297 1.714 -1.966 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.589 1.370 -5.543 1.00 1.24 H new ATOM 0 HH TYR A 50 -11.669 3.262 -4.885 1.00 1.34 H new ATOM 796 N HIS A 51 -14.559 -2.057 -0.421 1.00 1.28 N ATOM 797 CA HIS A 51 -15.999 -1.875 -0.147 1.00 1.53 C ATOM 798 C HIS A 51 -16.571 -3.174 0.458 1.00 1.61 C ATOM 799 O HIS A 51 -15.841 -4.152 0.642 1.00 2.07 O ATOM 800 CB HIS A 51 -16.781 -1.450 -1.420 1.00 2.01 C ATOM 801 CG HIS A 51 -17.548 -0.168 -1.247 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.916 -0.111 -1.171 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.139 1.121 -1.143 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.331 1.124 -1.033 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.269 1.914 -1.011 1.00 3.74 N ATOM 0 H HIS A 51 -13.954 -1.653 0.294 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.117 -1.064 0.572 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.081 -1.337 -2.247 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.474 -2.245 -1.695 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.530 -0.924 -1.216 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -16.116 1.468 -1.160 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.360 1.442 -0.951 1.00 3.87 H new ATOM 813 N SER A 52 -17.863 -3.182 0.790 1.00 1.60 N ATOM 814 CA SER A 52 -18.499 -4.367 1.392 1.00 1.96 C ATOM 815 C SER A 52 -18.934 -5.376 0.321 1.00 1.85 C ATOM 816 O SER A 52 -18.754 -6.585 0.484 1.00 2.45 O ATOM 817 CB SER A 52 -19.703 -3.936 2.232 1.00 2.44 C ATOM 818 OG SER A 52 -19.279 -3.117 3.317 1.00 2.65 O ATOM 0 H SER A 52 -18.491 -2.389 0.655 1.00 1.60 H new ATOM 0 HA SER A 52 -17.766 -4.858 2.032 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.412 -3.390 1.610 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.223 -4.815 2.612 1.00 2.44 H new ATOM 0 HG SER A 52 -20.058 -2.846 3.846 1.00 2.65 H new ATOM 824 N GLU A 53 -19.505 -4.873 -0.774 1.00 1.45 N ATOM 825 CA GLU A 53 -19.966 -5.717 -1.882 1.00 1.37 C ATOM 826 C GLU A 53 -18.776 -6.091 -2.777 1.00 1.08 C ATOM 827 O GLU A 53 -18.608 -5.540 -3.873 1.00 1.24 O ATOM 828 CB GLU A 53 -21.059 -4.987 -2.694 1.00 1.73 C ATOM 829 CG GLU A 53 -20.785 -3.476 -2.830 1.00 2.39 C ATOM 830 CD GLU A 53 -21.303 -2.705 -1.619 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.537 -2.576 -1.477 1.00 3.46 O ATOM 832 OE2 GLU A 53 -20.483 -2.220 -0.812 1.00 3.23 O ATOM 0 H GLU A 53 -19.661 -3.876 -0.920 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.401 -6.632 -1.480 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.127 -5.431 -3.687 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -22.025 -5.136 -2.212 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -19.714 -3.307 -2.940 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.261 -3.098 -3.735 1.00 2.39 H new ATOM 839 N VAL A 54 -17.937 -7.009 -2.280 1.00 0.84 N ATOM 840 CA VAL A 54 -16.732 -7.461 -2.989 1.00 0.66 C ATOM 841 C VAL A 54 -16.939 -8.839 -3.651 1.00 0.55 C ATOM 842 O VAL A 54 -16.646 -8.987 -4.837 1.00 0.49 O ATOM 843 CB VAL A 54 -15.532 -7.478 -2.015 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.341 -8.259 -2.587 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.110 -6.051 -1.665 1.00 1.34 C ATOM 0 H VAL A 54 -18.074 -7.459 -1.375 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.522 -6.758 -3.795 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.855 -7.989 -1.108 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.520 -8.246 -1.871 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.640 -9.290 -2.778 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.017 -7.797 -3.519 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.264 -6.080 -0.978 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.822 -5.524 -2.574 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.943 -5.531 -1.192 1.00 1.34 H new ATOM 855 N PRO A 55 -17.429 -9.875 -2.914 1.00 0.62 N ATOM 856 CA PRO A 55 -17.633 -11.216 -3.498 1.00 0.59 C ATOM 857 C PRO A 55 -18.955 -11.320 -4.268 1.00 0.58 C ATOM 858 O PRO A 55 -20.027 -11.049 -3.716 1.00 0.83 O ATOM 859 CB PRO A 55 -17.640 -12.144 -2.284 1.00 0.76 C ATOM 860 CG PRO A 55 -18.075 -11.300 -1.127 1.00 0.87 C ATOM 861 CD PRO A 55 -17.812 -9.849 -1.483 1.00 0.83 C ATOM 0 HA PRO A 55 -16.861 -11.463 -4.227 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.322 -12.981 -2.436 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.651 -12.567 -2.109 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -19.133 -11.456 -0.918 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.528 -11.577 -0.226 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.698 -9.235 -1.322 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.016 -9.429 -0.868 1.00 0.83 H new ATOM 869 N VAL A 56 -18.875 -11.710 -5.540 1.00 0.41 N ATOM 870 CA VAL A 56 -20.055 -11.855 -6.394 1.00 0.43 C ATOM 871 C VAL A 56 -19.913 -13.105 -7.262 1.00 0.42 C ATOM 872 O VAL A 56 -18.824 -13.418 -7.753 1.00 0.43 O ATOM 873 CB VAL A 56 -20.223 -10.595 -7.254 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.210 -10.815 -8.403 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.680 -9.423 -6.385 1.00 0.63 C ATOM 0 H VAL A 56 -17.996 -11.933 -6.006 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.947 -11.970 -5.778 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.253 -10.365 -7.694 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.299 -9.899 -8.986 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.849 -11.619 -9.044 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.186 -11.084 -7.998 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.796 -8.534 -7.005 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.634 -9.667 -5.918 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.936 -9.231 -5.612 1.00 0.63 H new ATOM 885 N SER A 57 -21.014 -13.829 -7.414 1.00 0.47 N ATOM 886 CA SER A 57 -21.065 -15.067 -8.180 1.00 0.48 C ATOM 887 C SER A 57 -21.668 -14.829 -9.574 1.00 0.46 C ATOM 888 O SER A 57 -22.656 -14.106 -9.717 1.00 0.59 O ATOM 889 CB SER A 57 -21.918 -16.073 -7.414 1.00 0.61 C ATOM 890 OG SER A 57 -21.895 -15.828 -6.008 1.00 0.91 O ATOM 0 H SER A 57 -21.910 -13.569 -7.002 1.00 0.47 H new ATOM 0 HA SER A 57 -20.053 -15.448 -8.314 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.946 -16.026 -7.774 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.556 -17.082 -7.613 1.00 0.61 H new ATOM 0 HG SER A 57 -22.454 -16.491 -5.551 1.00 0.91 H new ATOM 896 N LEU A 58 -21.089 -15.473 -10.597 1.00 0.44 N ATOM 897 CA LEU A 58 -21.581 -15.364 -11.981 1.00 0.49 C ATOM 898 C LEU A 58 -22.627 -16.455 -12.238 1.00 0.60 C ATOM 899 O LEU A 58 -22.493 -17.275 -13.151 1.00 0.89 O ATOM 900 CB LEU A 58 -20.415 -15.485 -12.981 1.00 0.67 C ATOM 901 CG LEU A 58 -19.494 -14.262 -12.918 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.244 -14.473 -13.774 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.228 -12.997 -13.369 1.00 0.60 C ATOM 0 H LEU A 58 -20.275 -16.079 -10.493 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.043 -14.387 -12.120 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.841 -16.386 -12.765 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.810 -15.593 -13.991 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.188 -14.135 -11.879 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.607 -13.591 -13.712 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.696 -15.342 -13.410 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.537 -14.637 -14.811 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.551 -12.144 -13.314 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.572 -13.122 -14.396 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.085 -12.822 -12.718 1.00 0.60 H new ATOM 915 N LYS A 59 -23.672 -16.445 -11.409 1.00 0.70 N ATOM 916 CA LYS A 59 -24.771 -17.411 -11.500 1.00 0.90 C ATOM 917 C LYS A 59 -25.657 -17.084 -12.704 1.00 0.87 C ATOM 918 O LYS A 59 -26.637 -16.343 -12.582 1.00 0.95 O ATOM 919 CB LYS A 59 -25.583 -17.369 -10.196 1.00 1.13 C ATOM 920 CG LYS A 59 -26.699 -18.416 -10.161 1.00 1.41 C ATOM 921 CD LYS A 59 -26.148 -19.843 -10.134 1.00 1.78 C ATOM 922 CE LYS A 59 -27.181 -20.832 -9.574 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.505 -20.692 -10.250 1.00 2.83 N ATOM 0 H LYS A 59 -23.782 -15.767 -10.655 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.372 -18.416 -11.638 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.914 -17.529 -9.351 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.017 -16.377 -10.075 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -27.322 -18.252 -9.282 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -27.340 -18.292 -11.034 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.863 -20.144 -11.142 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.245 -19.874 -9.525 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.814 -21.851 -9.700 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.300 -20.666 -8.503 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -28.991 -21.611 -10.255 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -29.084 -19.997 -9.738 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.363 -20.370 -11.229 1.00 2.83 H new ATOM 937 N GLU A 60 -25.278 -17.614 -13.876 1.00 0.89 N ATOM 938 CA GLU A 60 -25.998 -17.376 -15.140 1.00 0.93 C ATOM 939 C GLU A 60 -26.059 -15.870 -15.415 1.00 0.71 C ATOM 940 O GLU A 60 -27.133 -15.266 -15.434 1.00 0.82 O ATOM 941 CB GLU A 60 -27.415 -17.977 -15.093 1.00 1.20 C ATOM 942 CG GLU A 60 -27.393 -19.485 -14.788 1.00 1.43 C ATOM 943 CD GLU A 60 -28.544 -19.862 -13.860 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.676 -19.385 -14.081 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.315 -20.636 -12.908 1.00 2.33 O ATOM 0 H GLU A 60 -24.464 -18.220 -13.977 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.459 -17.869 -15.949 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.002 -17.462 -14.332 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.912 -17.808 -16.048 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.467 -20.051 -15.717 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.443 -19.754 -14.326 1.00 1.43 H new ATOM 952 N ALA A 61 -24.885 -15.268 -15.585 1.00 0.51 N ATOM 953 CA ALA A 61 -24.773 -13.829 -15.812 1.00 0.35 C ATOM 954 C ALA A 61 -25.188 -13.443 -17.230 1.00 0.35 C ATOM 955 O ALA A 61 -24.489 -13.755 -18.197 1.00 0.43 O ATOM 956 CB ALA A 61 -23.333 -13.382 -15.557 1.00 0.31 C ATOM 0 H ALA A 61 -23.991 -15.759 -15.570 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.450 -13.327 -15.120 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.250 -12.308 -15.726 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.059 -13.609 -14.527 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.663 -13.909 -16.236 1.00 0.31 H new ATOM 962 N ILE A 62 -26.307 -12.726 -17.346 1.00 0.34 N ATOM 963 CA ILE A 62 -26.790 -12.248 -18.642 1.00 0.37 C ATOM 964 C ILE A 62 -26.027 -10.969 -18.981 1.00 0.31 C ATOM 965 O ILE A 62 -25.858 -10.101 -18.118 1.00 0.31 O ATOM 966 CB ILE A 62 -28.299 -11.977 -18.604 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.063 -13.222 -18.137 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.790 -11.540 -19.984 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.538 -12.914 -17.901 1.00 1.27 C ATOM 0 H ILE A 62 -26.897 -12.463 -16.556 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.619 -13.009 -19.404 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.487 -11.174 -17.892 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.969 -14.010 -18.884 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.617 -13.601 -17.217 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.863 -11.350 -19.945 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.271 -10.629 -20.283 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.587 -12.328 -20.709 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.050 -13.818 -17.571 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.631 -12.144 -17.135 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.989 -12.560 -18.828 1.00 1.27 H new ATOM 981 N CYS A 63 -25.542 -10.865 -20.210 1.00 0.34 N ATOM 982 CA CYS A 63 -24.754 -9.705 -20.632 1.00 0.33 C ATOM 983 C CYS A 63 -25.303 -9.089 -21.923 1.00 0.34 C ATOM 984 O CYS A 63 -25.698 -9.803 -22.849 1.00 0.52 O ATOM 985 CB CYS A 63 -23.290 -10.136 -20.807 1.00 0.37 C ATOM 986 SG CYS A 63 -22.129 -8.795 -20.512 1.00 0.53 S ATOM 0 H CYS A 63 -25.678 -11.568 -20.936 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.819 -8.934 -19.864 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.073 -10.956 -20.122 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.147 -10.519 -21.818 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.768 -7.761 -20.051 1.00 0.53 H new ATOM 992 N GLU A 64 -25.308 -7.753 -21.968 1.00 0.26 N ATOM 993 CA GLU A 64 -25.782 -6.985 -23.125 1.00 0.29 C ATOM 994 C GLU A 64 -24.766 -5.878 -23.422 1.00 0.24 C ATOM 995 O GLU A 64 -24.104 -5.383 -22.510 1.00 0.36 O ATOM 996 CB GLU A 64 -27.157 -6.365 -22.832 1.00 0.33 C ATOM 997 CG GLU A 64 -28.201 -7.418 -22.429 1.00 0.81 C ATOM 998 CD GLU A 64 -29.450 -6.744 -21.870 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.708 -5.570 -22.213 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.186 -7.390 -21.092 1.00 1.96 O ATOM 0 H GLU A 64 -24.981 -7.170 -21.198 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.882 -7.646 -23.986 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.058 -5.631 -22.033 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.507 -5.830 -23.715 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.465 -8.027 -23.294 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.779 -8.091 -21.683 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.644 -5.490 -24.690 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.701 -4.440 -25.098 1.00 0.32 C ATOM 1009 C VAL A 65 -24.355 -3.059 -24.983 1.00 0.31 C ATOM 1010 O VAL A 65 -25.540 -2.894 -25.280 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.222 -4.681 -26.542 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.033 -3.770 -26.876 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.843 -6.150 -26.757 1.00 0.39 C ATOM 0 H VAL A 65 -25.186 -5.886 -25.458 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.838 -4.474 -24.432 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.046 -4.439 -27.213 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.709 -3.955 -27.900 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.333 -2.727 -26.773 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.211 -3.980 -26.192 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.508 -6.293 -27.784 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.040 -6.422 -26.073 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.711 -6.781 -26.567 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.567 -2.071 -24.560 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.033 -0.691 -24.408 1.00 0.31 C ATOM 1025 C ALA A 66 -23.017 0.253 -25.055 1.00 0.34 C ATOM 1026 O ALA A 66 -22.186 0.874 -24.381 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.229 -0.358 -22.926 1.00 0.36 C ATOM 0 H ALA A 66 -22.586 -2.204 -24.313 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.995 -0.569 -24.905 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.576 0.671 -22.827 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.969 -1.033 -22.496 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.282 -0.474 -22.399 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.088 0.345 -26.378 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.190 1.197 -27.162 1.00 0.71 C ATOM 1035 C LEU A 67 -22.710 2.635 -27.180 1.00 0.89 C ATOM 1036 O LEU A 67 -21.931 3.589 -27.140 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.081 0.650 -28.596 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.678 0.860 -29.178 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.827 -0.399 -29.008 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.763 1.250 -30.654 1.00 1.39 C ATOM 0 H LEU A 67 -23.768 -0.167 -26.941 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.201 1.193 -26.704 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.321 -0.413 -28.599 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.816 1.144 -29.231 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.201 1.673 -28.631 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.836 -0.228 -29.428 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.736 -0.636 -27.948 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.302 -1.232 -29.527 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.758 1.395 -31.050 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.262 0.458 -31.212 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.329 2.176 -30.754 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.034 2.779 -27.242 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.685 4.095 -27.274 1.00 1.14 C ATOM 1054 C ASP A 68 -25.169 4.521 -25.880 1.00 0.87 C ATOM 1055 O ASP A 68 -26.238 5.116 -25.742 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.851 4.088 -28.287 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.955 3.099 -27.901 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.675 1.885 -27.808 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.110 3.537 -27.705 1.00 2.62 O ATOM 0 H ASP A 68 -24.685 1.994 -27.271 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.947 4.829 -27.596 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.273 5.090 -28.357 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.468 3.833 -29.275 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.361 4.250 -24.849 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.695 4.638 -23.469 1.00 0.69 C ATOM 1066 C TYR A 69 -24.297 6.107 -23.246 1.00 0.97 C ATOM 1067 O TYR A 69 -23.440 6.422 -22.421 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.991 3.695 -22.468 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.007 4.183 -21.025 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.191 4.215 -20.296 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -22.829 4.607 -20.431 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -25.188 4.677 -18.984 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -22.832 5.066 -19.125 1.00 0.64 C ATOM 1074 CZ TYR A 69 -24.011 5.099 -18.412 1.00 0.76 C ATOM 1075 OH TYR A 69 -24.007 5.560 -17.116 1.00 0.97 O ATOM 0 H TYR A 69 -23.470 3.763 -24.942 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.768 4.546 -23.304 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.468 2.716 -22.513 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.956 3.560 -22.781 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.113 3.881 -20.749 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -21.905 4.579 -20.989 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -26.107 4.704 -18.417 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -21.912 5.398 -18.666 1.00 0.64 H new ATOM 0 HH TYR A 69 -24.844 5.304 -16.675 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.931 7.003 -24.014 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.674 8.452 -23.943 1.00 1.81 C ATOM 1087 C LYS A 70 -23.182 8.767 -24.150 1.00 1.82 C ATOM 1088 O LYS A 70 -22.524 9.326 -23.269 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.181 9.018 -22.608 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.650 8.651 -22.380 1.00 2.98 C ATOM 1091 CD LYS A 70 -27.300 9.548 -21.326 1.00 3.79 C ATOM 1092 CE LYS A 70 -28.700 9.053 -20.952 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.648 9.152 -22.100 1.00 4.84 N ATOM 0 H LYS A 70 -25.637 6.746 -24.703 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.222 8.935 -24.752 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.574 8.630 -21.790 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.068 10.102 -22.602 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.197 8.738 -23.319 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.720 7.610 -22.065 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -26.673 9.576 -20.435 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -27.363 10.568 -21.704 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -28.642 8.017 -20.617 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.081 9.638 -20.115 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.593 8.840 -21.798 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -29.697 10.139 -22.426 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -29.316 8.547 -22.878 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.669 8.388 -25.326 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.269 8.595 -25.712 1.00 2.22 C ATOM 1109 C LYS A 71 -20.341 7.672 -24.906 1.00 2.19 C ATOM 1110 O LYS A 71 -20.627 6.480 -24.753 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.866 10.073 -25.564 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.917 11.022 -26.169 1.00 3.56 C ATOM 1113 CD LYS A 71 -21.302 11.981 -27.197 1.00 4.44 C ATOM 1114 CE LYS A 71 -20.216 12.866 -26.577 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.735 13.669 -25.431 1.00 5.62 N ATOM 0 H LYS A 71 -23.222 7.923 -26.046 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.163 8.334 -26.765 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.731 10.308 -24.508 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.906 10.237 -26.052 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -22.703 10.436 -26.645 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.387 11.598 -25.372 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.876 11.406 -28.019 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -22.085 12.610 -27.620 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -19.390 12.241 -26.237 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -19.817 13.536 -27.338 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -20.023 14.373 -25.150 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -21.609 14.155 -25.715 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -20.935 13.039 -24.628 1.00 5.62 H new ATOM 1129 N LYS A 72 -19.229 8.221 -24.413 1.00 2.22 N ATOM 1130 CA LYS A 72 -18.239 7.454 -23.632 1.00 2.54 C ATOM 1131 C LYS A 72 -17.504 6.450 -24.529 1.00 1.92 C ATOM 1132 O LYS A 72 -17.595 6.503 -25.760 1.00 2.45 O ATOM 1133 CB LYS A 72 -18.930 6.746 -22.440 1.00 3.71 C ATOM 1134 CG LYS A 72 -18.042 6.708 -21.184 1.00 4.59 C ATOM 1135 CD LYS A 72 -17.494 8.095 -20.822 1.00 5.67 C ATOM 1136 CE LYS A 72 -17.242 8.233 -19.317 1.00 6.56 C ATOM 1137 NZ LYS A 72 -18.512 8.416 -18.558 1.00 7.03 N ATOM 0 H LYS A 72 -18.984 9.203 -24.539 1.00 2.22 H new ATOM 0 HA LYS A 72 -17.496 8.143 -23.231 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.862 7.260 -22.207 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.191 5.728 -22.728 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -18.618 6.316 -20.345 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -17.211 6.022 -21.349 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -16.565 8.271 -21.364 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -18.200 8.860 -21.144 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -16.725 7.346 -18.952 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -16.584 9.083 -19.135 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -18.295 8.590 -17.556 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -19.034 9.228 -18.946 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -19.094 7.558 -18.642 1.00 7.03 H new ATOM 1151 N LYS A 73 -16.763 5.547 -23.898 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.988 4.521 -24.608 1.00 1.35 C ATOM 1153 C LYS A 73 -16.886 3.343 -25.014 1.00 1.05 C ATOM 1154 O LYS A 73 -17.726 3.470 -25.903 1.00 1.79 O ATOM 1155 CB LYS A 73 -14.841 4.035 -23.712 1.00 1.94 C ATOM 1156 CG LYS A 73 -13.819 5.140 -23.453 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.580 4.595 -22.730 1.00 2.93 C ATOM 1158 CE LYS A 73 -11.292 4.939 -23.479 1.00 3.52 C ATOM 1159 NZ LYS A 73 -11.167 6.404 -23.707 1.00 3.96 N ATOM 0 H LYS A 73 -16.678 5.500 -22.883 1.00 1.52 H new ATOM 0 HA LYS A 73 -15.575 4.957 -25.517 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -15.245 3.683 -22.763 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.347 3.185 -24.183 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -13.521 5.592 -24.399 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -14.276 5.927 -22.853 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -12.536 5.007 -21.722 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.664 3.513 -22.629 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -10.433 4.584 -22.909 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -11.277 4.418 -24.436 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -10.162 6.657 -23.796 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -11.668 6.663 -24.580 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.583 6.917 -22.904 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.696 2.201 -24.353 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.470 0.985 -24.617 1.00 0.38 C ATOM 1175 C HIS A 74 -18.000 0.448 -23.290 1.00 0.30 C ATOM 1176 O HIS A 74 -17.213 0.087 -22.406 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.577 -0.067 -25.305 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.528 0.053 -26.805 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.789 1.216 -27.485 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.231 -0.854 -27.770 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.663 1.045 -28.777 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.319 -0.215 -28.993 1.00 1.53 N ATOM 0 H HIS A 74 -15.999 2.092 -23.617 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.305 1.210 -25.280 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.564 0.019 -24.911 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.938 -1.061 -25.043 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -17.047 2.098 -27.042 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -15.972 -1.890 -27.611 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.813 1.800 -29.534 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.325 0.416 -23.142 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.967 -0.056 -21.913 1.00 0.23 C ATOM 1192 C VAL A 75 -20.788 -1.315 -22.210 1.00 0.22 C ATOM 1193 O VAL A 75 -21.167 -1.563 -23.356 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.863 1.072 -21.356 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.465 0.706 -20.001 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.070 2.379 -21.235 1.00 0.31 C ATOM 0 H VAL A 75 -19.980 0.714 -23.865 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.215 -0.312 -21.167 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.682 1.209 -22.062 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.088 1.527 -19.646 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.073 -0.193 -20.104 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.664 0.522 -19.285 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.718 3.162 -20.841 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.227 2.232 -20.560 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.701 2.673 -22.218 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.075 -2.102 -21.181 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.871 -3.319 -21.331 1.00 0.23 C ATOM 1208 C PHE A 76 -22.636 -3.586 -20.043 1.00 0.22 C ATOM 1209 O PHE A 76 -22.117 -3.386 -18.944 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.996 -4.526 -21.715 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.997 -4.966 -20.658 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.364 -5.899 -19.695 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.706 -4.460 -20.665 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.447 -6.316 -18.744 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.788 -4.881 -19.717 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.157 -5.807 -18.758 1.00 0.29 C ATOM 0 H PHE A 76 -20.767 -1.919 -20.226 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.581 -3.171 -22.145 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.649 -5.368 -21.947 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.451 -4.283 -22.628 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.367 -6.300 -19.688 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.415 -3.736 -21.412 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.736 -7.036 -17.993 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.783 -4.486 -19.727 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.440 -6.134 -18.020 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.871 -4.046 -20.180 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.713 -4.354 -19.032 1.00 0.28 C ATOM 1228 C LYS A 77 -24.470 -5.796 -18.604 1.00 0.31 C ATOM 1229 O LYS A 77 -24.263 -6.681 -19.439 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.193 -4.142 -19.372 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.084 -4.346 -18.141 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.416 -3.601 -18.270 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.396 -4.045 -17.176 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.396 -2.992 -16.847 1.00 1.95 N ATOM 0 H LYS A 77 -24.316 -4.215 -21.082 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.457 -3.683 -18.212 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.337 -3.135 -19.765 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.491 -4.836 -20.158 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.275 -5.410 -18.004 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.559 -3.999 -17.251 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.246 -2.527 -18.198 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.850 -3.790 -19.252 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.915 -4.946 -17.502 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.838 -4.306 -16.277 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.540 -2.959 -15.817 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.050 -2.069 -17.178 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -31.298 -3.211 -17.316 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.496 -6.015 -17.301 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.277 -7.328 -16.716 1.00 0.24 C ATOM 1250 C LEU A 78 -25.308 -7.550 -15.608 1.00 0.29 C ATOM 1251 O LEU A 78 -25.313 -6.837 -14.603 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.842 -7.396 -16.176 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.454 -8.784 -15.688 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.989 -9.877 -16.611 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.939 -8.898 -15.556 1.00 0.86 C ATOM 0 H LEU A 78 -24.671 -5.282 -16.614 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.399 -8.116 -17.460 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.150 -7.086 -16.959 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.734 -6.686 -15.356 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.908 -8.926 -14.707 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.691 -10.854 -16.229 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -24.077 -9.819 -16.651 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.581 -9.739 -17.612 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.678 -9.897 -15.206 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.475 -8.721 -16.526 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.579 -8.158 -14.841 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.193 -8.524 -15.813 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.256 -8.846 -14.853 1.00 0.40 C ATOM 1269 C ARG A 79 -27.024 -10.234 -14.261 1.00 0.45 C ATOM 1270 O ARG A 79 -26.929 -11.224 -14.991 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.620 -8.789 -15.556 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.781 -8.830 -14.553 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.132 -8.854 -15.265 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.263 -7.676 -16.126 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.608 -7.769 -17.405 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -30.676 -7.945 -18.331 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.880 -7.677 -17.754 1.00 2.99 N ATOM 0 H ARG A 79 -26.197 -9.113 -16.646 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.242 -8.116 -14.043 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.685 -7.877 -16.150 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.708 -9.627 -16.248 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.686 -9.712 -13.920 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.729 -7.960 -13.898 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.223 -9.762 -15.861 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.939 -8.871 -14.532 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.083 -6.753 -15.730 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -29.694 -8.009 -18.061 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -30.940 -8.017 -19.314 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -33.595 -7.535 -17.041 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.146 -7.748 -18.736 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.940 -10.295 -12.935 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.723 -11.550 -12.212 1.00 0.68 C ATOM 1293 C LEU A 80 -28.054 -12.064 -11.664 1.00 0.84 C ATOM 1294 O LEU A 80 -28.843 -11.295 -11.097 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.723 -11.323 -11.077 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.444 -10.642 -11.582 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.440 -10.491 -10.447 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.816 -11.423 -12.734 1.00 1.26 C ATOM 0 H LEU A 80 -27.020 -9.478 -12.329 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.314 -12.298 -12.891 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.183 -10.708 -10.303 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.470 -12.278 -10.617 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.718 -9.654 -11.951 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.538 -10.006 -10.821 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.876 -9.884 -9.654 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.186 -11.475 -10.053 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.912 -10.914 -13.069 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.563 -12.428 -12.397 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.524 -11.485 -13.560 1.00 1.26 H new ATOM 1310 N SER A 81 -28.301 -13.364 -11.858 1.00 1.01 N ATOM 1311 CA SER A 81 -29.545 -14.028 -11.426 1.00 1.23 C ATOM 1312 C SER A 81 -29.767 -13.984 -9.906 1.00 1.40 C ATOM 1313 O SER A 81 -30.863 -14.290 -9.439 1.00 1.92 O ATOM 1314 CB SER A 81 -29.544 -15.486 -11.902 1.00 1.52 C ATOM 1315 OG SER A 81 -29.176 -15.569 -13.277 1.00 2.18 O ATOM 0 H SER A 81 -27.643 -13.992 -12.321 1.00 1.01 H new ATOM 0 HA SER A 81 -30.367 -13.474 -11.879 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.849 -16.070 -11.299 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.533 -15.921 -11.759 1.00 1.52 H new ATOM 0 HG SER A 81 -28.208 -15.705 -13.349 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.748 -13.596 -9.132 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.879 -13.514 -7.667 1.00 1.76 C ATOM 1323 C ASP A 82 -29.580 -12.205 -7.246 1.00 1.31 C ATOM 1324 O ASP A 82 -29.859 -12.000 -6.064 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.504 -13.680 -6.980 1.00 2.76 C ATOM 1326 CG ASP A 82 -26.643 -12.422 -7.076 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -26.559 -11.834 -8.169 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -26.040 -12.031 -6.053 1.00 3.98 O ATOM 0 H ASP A 82 -27.829 -13.335 -9.489 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.510 -14.338 -7.333 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.655 -13.933 -5.931 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -26.973 -14.515 -7.436 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.879 -11.343 -8.225 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.571 -10.073 -7.983 1.00 1.53 C ATOM 1335 C GLY A 83 -29.598 -8.900 -7.922 1.00 1.31 C ATOM 1336 O GLY A 83 -29.656 -8.095 -6.968 1.00 1.88 O ATOM 0 H GLY A 83 -29.648 -11.506 -9.205 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.300 -9.900 -8.775 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.126 -10.134 -7.047 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.718 -8.794 -8.948 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.731 -7.703 -9.025 1.00 0.71 C ATOM 1342 C ASN A 84 -27.646 -7.172 -10.464 1.00 0.62 C ATOM 1343 O ASN A 84 -27.565 -7.954 -11.417 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.344 -8.200 -8.560 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.091 -7.885 -7.079 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -24.846 -7.607 -6.731 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -27.001 -7.901 -6.255 1.00 1.32 N flip ATOM 0 H ASN A 84 -28.676 -9.451 -9.727 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.050 -6.895 -8.367 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.271 -9.276 -8.720 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.569 -7.734 -9.168 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.953 -8.119 -6.550 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.805 -7.697 -5.275 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.663 -5.841 -10.608 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.591 -5.165 -11.916 1.00 0.55 C ATOM 1356 C GLU A 85 -26.357 -4.250 -11.966 1.00 0.47 C ATOM 1357 O GLU A 85 -26.112 -3.487 -11.027 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.857 -4.319 -12.127 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.036 -5.162 -12.635 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.540 -4.639 -13.975 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.887 -3.448 -14.067 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -30.600 -5.425 -14.945 1.00 1.39 O ATOM 0 H GLU A 85 -27.727 -5.197 -9.819 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.515 -5.917 -12.701 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.133 -3.839 -11.188 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.646 -3.523 -12.842 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.727 -6.202 -12.739 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.845 -5.141 -11.904 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.588 -4.318 -13.059 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.383 -3.488 -13.225 1.00 0.31 C ATOM 1371 C TYR A 86 -24.170 -3.078 -14.685 1.00 0.29 C ATOM 1372 O TYR A 86 -24.457 -3.849 -15.605 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.118 -4.274 -12.829 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.057 -4.752 -11.403 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -22.864 -3.843 -10.376 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.245 -6.090 -11.112 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -22.859 -4.272 -9.063 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.230 -6.518 -9.798 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.852 -5.652 -8.803 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.052 -6.030 -7.473 1.00 0.77 O ATOM 0 H TYR A 86 -25.777 -4.940 -13.845 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.537 -2.614 -12.592 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -23.032 -5.140 -13.485 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.249 -3.644 -13.017 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.717 -2.797 -10.602 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.403 -6.800 -11.910 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -22.860 -3.559 -8.251 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.515 -7.531 -9.555 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.777 -6.688 -7.425 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.543 -1.911 -14.872 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.127 -1.422 -16.195 1.00 0.23 C ATOM 1392 C LEU A 87 -21.608 -1.314 -16.102 1.00 0.22 C ATOM 1393 O LEU A 87 -21.094 -0.494 -15.335 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.705 -0.045 -16.579 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.224 0.049 -16.444 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.725 1.353 -17.078 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.913 -1.155 -17.085 1.00 0.38 C ATOM 0 H LEU A 87 -23.308 -1.276 -14.109 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.492 -2.104 -16.963 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.246 0.718 -15.951 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.427 0.180 -17.609 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.474 0.048 -15.383 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.809 1.413 -16.978 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.266 2.203 -16.573 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.457 1.371 -18.134 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.993 -1.059 -16.972 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.661 -1.197 -18.145 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.577 -2.069 -16.596 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.897 -2.169 -16.825 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.435 -2.201 -16.777 1.00 0.19 C ATOM 1411 C PHE A 88 -18.828 -1.500 -17.994 1.00 0.20 C ATOM 1412 O PHE A 88 -19.243 -1.736 -19.127 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.967 -3.655 -16.704 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.093 -4.239 -15.314 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.189 -3.878 -14.328 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.113 -5.133 -15.018 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.302 -4.403 -13.055 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.225 -5.658 -13.743 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.320 -5.295 -12.761 1.00 0.22 C ATOM 0 H PHE A 88 -21.309 -2.855 -17.457 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.098 -1.666 -15.889 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.551 -4.256 -17.401 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.927 -3.715 -17.026 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.393 -3.184 -14.555 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.819 -5.419 -15.783 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.596 -4.118 -12.289 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.020 -6.352 -13.514 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.407 -5.707 -11.766 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.837 -0.646 -17.743 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.139 0.101 -18.798 1.00 0.26 C ATOM 1431 C GLN A 89 -15.678 -0.351 -18.856 1.00 0.22 C ATOM 1432 O GLN A 89 -15.009 -0.447 -17.821 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.246 1.618 -18.525 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.031 2.412 -19.040 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.138 3.881 -18.637 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.100 4.565 -18.987 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.148 4.368 -17.902 1.00 1.63 N ATOM 0 H GLN A 89 -17.492 -0.450 -16.803 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.602 -0.100 -19.764 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.150 2.003 -18.996 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.351 1.782 -17.452 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.113 1.985 -18.636 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.970 2.331 -20.125 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.369 3.767 -17.633 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.165 5.344 -17.605 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.192 -0.608 -20.070 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.807 -1.040 -20.300 1.00 0.24 C ATOM 1448 C ALA A 90 -12.969 0.126 -20.834 1.00 0.27 C ATOM 1449 O ALA A 90 -13.511 1.141 -21.286 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.795 -2.195 -21.305 1.00 0.29 C ATOM 0 H ALA A 90 -15.744 -0.524 -20.924 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.376 -1.375 -19.357 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.768 -2.517 -21.477 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.375 -3.028 -20.908 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.234 -1.863 -22.246 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.645 -0.031 -20.781 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.712 0.997 -21.260 1.00 0.44 C ATOM 1458 C LYS A 91 -10.503 0.886 -22.777 1.00 0.49 C ATOM 1459 O LYS A 91 -10.319 1.892 -23.463 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.364 0.880 -20.518 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.544 -0.337 -20.969 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.482 -0.705 -19.930 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.311 -1.473 -20.560 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.697 -2.868 -20.918 1.00 2.29 N ATOM 0 H LYS A 91 -11.190 -0.865 -20.409 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.144 1.976 -21.051 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.782 1.787 -20.684 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.549 0.812 -19.446 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.208 -1.186 -21.131 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.064 -0.122 -21.923 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.108 0.202 -19.455 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.935 -1.312 -19.146 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -5.970 -0.949 -21.453 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.473 -1.494 -19.864 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.849 -3.470 -20.933 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.369 -3.234 -20.214 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.143 -2.875 -21.858 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.538 -0.352 -23.285 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.356 -0.642 -24.716 1.00 0.66 C ATOM 1480 C ASP A 92 -11.542 -1.463 -25.238 1.00 0.59 C ATOM 1481 O ASP A 92 -12.201 -2.176 -24.474 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.045 -1.421 -24.919 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.665 -1.490 -26.395 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -7.991 -0.562 -26.886 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.039 -2.470 -27.066 1.00 2.01 O ATOM 0 H ASP A 92 -10.694 -1.184 -22.716 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.306 0.295 -25.271 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.244 -0.942 -24.357 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.154 -2.430 -24.522 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.795 -1.377 -26.549 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.892 -2.123 -27.189 1.00 0.63 C ATOM 1492 C ASP A 93 -12.617 -3.634 -27.168 1.00 0.49 C ATOM 1493 O ASP A 93 -13.537 -4.437 -26.979 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.131 -1.627 -28.632 1.00 0.83 C ATOM 1495 CG ASP A 93 -11.899 -1.804 -29.521 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -10.953 -0.998 -29.397 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -11.881 -2.737 -30.350 1.00 2.13 O ATOM 0 H ASP A 93 -11.255 -0.797 -27.192 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.800 -1.939 -26.615 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.970 -2.171 -29.066 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.411 -0.574 -28.610 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.345 -4.020 -27.333 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.946 -5.436 -27.304 1.00 0.41 C ATOM 1504 C GLU A 94 -11.118 -5.992 -25.891 1.00 0.36 C ATOM 1505 O GLU A 94 -11.550 -7.132 -25.707 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.497 -5.594 -27.768 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.339 -5.154 -29.226 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.941 -5.469 -29.738 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.021 -5.636 -28.914 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.761 -5.550 -30.971 1.00 2.59 O ATOM 0 H GLU A 94 -10.573 -3.372 -27.488 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.585 -5.997 -27.986 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.840 -5.001 -27.132 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.188 -6.634 -27.662 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.080 -5.659 -29.845 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.529 -4.084 -29.310 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.815 -5.158 -24.893 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.966 -5.534 -23.485 1.00 0.29 C ATOM 1519 C GLU A 95 -12.447 -5.801 -23.179 1.00 0.24 C ATOM 1520 O GLU A 95 -12.783 -6.781 -22.512 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.424 -4.422 -22.579 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.994 -4.971 -21.216 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.775 -3.837 -20.219 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.626 -2.925 -20.157 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.761 -3.859 -19.492 1.00 1.30 O ATOM 0 H GLU A 95 -10.461 -4.212 -25.036 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.395 -6.442 -23.293 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.575 -3.938 -23.062 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.189 -3.658 -22.440 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.756 -5.652 -20.837 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.076 -5.548 -21.325 1.00 0.42 H new ATOM 1532 N MET A 96 -13.326 -4.931 -23.702 1.00 0.24 N ATOM 1533 CA MET A 96 -14.782 -5.060 -23.522 1.00 0.22 C ATOM 1534 C MET A 96 -15.269 -6.418 -24.042 1.00 0.22 C ATOM 1535 O MET A 96 -16.002 -7.131 -23.356 1.00 0.23 O ATOM 1536 CB MET A 96 -15.505 -3.924 -24.265 1.00 0.26 C ATOM 1537 CG MET A 96 -16.987 -3.839 -23.877 1.00 0.39 C ATOM 1538 SD MET A 96 -18.052 -3.408 -25.268 1.00 0.94 S ATOM 1539 CE MET A 96 -17.909 -4.875 -26.304 1.00 0.77 C ATOM 0 H MET A 96 -13.050 -4.122 -24.259 1.00 0.24 H new ATOM 0 HA MET A 96 -15.008 -4.993 -22.458 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.016 -2.976 -24.042 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.420 -4.081 -25.340 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.305 -4.797 -23.465 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.109 -3.096 -23.088 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.405 -4.615 -27.235 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.332 -5.636 -25.779 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.903 -5.263 -26.525 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.832 -6.773 -25.256 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.198 -8.052 -25.885 1.00 0.28 C ATOM 1551 C ASN A 97 -14.690 -9.231 -25.036 1.00 0.26 C ATOM 1552 O ASN A 97 -15.424 -10.190 -24.787 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.613 -8.119 -27.311 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.158 -9.332 -28.072 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.346 -9.390 -28.394 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.294 -10.293 -28.360 1.00 1.24 N ATOM 0 H ASN A 97 -14.220 -6.190 -25.827 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.284 -8.120 -25.947 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.859 -7.205 -27.852 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.526 -8.176 -27.260 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.604 -11.122 -28.868 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.319 -10.204 -28.074 1.00 1.24 H new ATOM 1563 N THR A 98 -13.436 -9.133 -24.582 1.00 0.25 N ATOM 1564 CA THR A 98 -12.811 -10.171 -23.747 1.00 0.27 C ATOM 1565 C THR A 98 -13.575 -10.344 -22.419 1.00 0.23 C ATOM 1566 O THR A 98 -13.813 -11.469 -21.974 1.00 0.27 O ATOM 1567 CB THR A 98 -11.336 -9.810 -23.485 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.703 -9.408 -24.700 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.574 -10.993 -22.882 1.00 0.39 C ATOM 0 H THR A 98 -12.827 -8.339 -24.780 1.00 0.25 H new ATOM 0 HA THR A 98 -12.853 -11.121 -24.280 1.00 0.27 H new ATOM 0 HB THR A 98 -11.318 -8.986 -22.772 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.817 -8.443 -24.824 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.537 -10.707 -22.709 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.035 -11.279 -21.936 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.608 -11.837 -23.571 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.970 -9.223 -21.801 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.718 -9.236 -20.533 1.00 0.20 C ATOM 1579 C TRP A 99 -16.071 -9.939 -20.710 1.00 0.21 C ATOM 1580 O TRP A 99 -16.394 -10.875 -19.979 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.954 -7.793 -20.037 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.804 -7.212 -19.257 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.089 -6.085 -19.566 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.249 -7.715 -18.020 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.139 -5.887 -18.604 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.210 -6.852 -17.648 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.532 -8.807 -17.191 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.461 -7.053 -16.500 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.785 -9.009 -16.038 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.762 -8.138 -15.694 1.00 0.29 C ATOM 0 H TRP A 99 -13.783 -8.287 -22.161 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.127 -9.781 -19.797 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.155 -7.154 -20.897 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.847 -7.777 -19.412 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.250 -5.456 -20.429 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.467 -5.119 -18.603 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.328 -9.490 -17.447 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.659 -6.378 -16.239 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.003 -9.854 -15.402 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.196 -8.307 -14.790 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.850 -9.472 -21.687 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.180 -10.030 -21.985 1.00 0.24 C ATOM 1603 C ILE A 100 -18.104 -11.534 -22.291 1.00 0.28 C ATOM 1604 O ILE A 100 -18.871 -12.322 -21.735 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.806 -9.270 -23.170 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.173 -7.842 -22.751 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.048 -9.991 -23.707 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.655 -7.017 -23.940 1.00 0.29 C ATOM 0 H ILE A 100 -16.582 -8.698 -22.295 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.809 -9.907 -21.103 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.065 -9.233 -23.968 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.952 -7.874 -21.989 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.306 -7.360 -22.300 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.464 -9.427 -24.542 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.771 -10.989 -24.045 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.793 -10.070 -22.916 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.907 -6.010 -23.606 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.866 -6.964 -24.690 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.538 -7.486 -24.375 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.183 -11.928 -23.175 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.021 -13.341 -23.559 1.00 0.35 C ATOM 1622 C GLN A 101 -16.560 -14.201 -22.374 1.00 0.36 C ATOM 1623 O GLN A 101 -17.046 -15.321 -22.193 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.040 -13.456 -24.731 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.724 -13.080 -26.052 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.778 -13.250 -27.239 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.645 -13.711 -27.088 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.242 -12.875 -28.421 1.00 1.76 N ATOM 0 H GLN A 101 -16.536 -11.291 -23.641 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.993 -13.720 -23.873 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.184 -12.803 -24.560 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.656 -14.474 -24.792 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.607 -13.703 -26.196 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.068 -12.047 -26.004 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -17.186 -12.498 -28.502 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.655 -12.963 -29.251 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.644 -13.678 -21.554 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.148 -14.409 -20.377 1.00 0.37 C ATOM 1639 C ALA A 102 -16.277 -14.615 -19.360 1.00 0.38 C ATOM 1640 O ALA A 102 -16.423 -15.700 -18.797 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.995 -13.643 -19.725 1.00 0.38 C ATOM 0 H ALA A 102 -15.230 -12.754 -21.680 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.787 -15.384 -20.704 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.637 -14.195 -18.856 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.182 -13.529 -20.442 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.343 -12.659 -19.412 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.080 -13.569 -19.153 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.220 -13.610 -18.226 1.00 0.38 C ATOM 1649 C ILE A 103 -19.307 -14.560 -18.758 1.00 0.47 C ATOM 1650 O ILE A 103 -19.931 -15.296 -17.989 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.772 -12.184 -18.045 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.806 -11.347 -17.194 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.165 -12.191 -17.404 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -17.906 -9.855 -17.515 1.00 0.35 C ATOM 0 H ILE A 103 -16.961 -12.670 -19.621 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.894 -13.989 -17.258 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.864 -11.737 -19.035 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.023 -11.506 -16.138 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.785 -11.687 -17.365 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.520 -11.166 -17.293 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.855 -12.747 -18.039 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.112 -12.665 -16.424 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.206 -9.301 -16.890 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.663 -9.692 -18.565 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -18.920 -9.508 -17.319 1.00 0.35 H new ATOM 1666 N SER A 104 -19.522 -14.553 -20.078 1.00 0.53 N ATOM 1667 CA SER A 104 -20.521 -15.424 -20.714 1.00 0.66 C ATOM 1668 C SER A 104 -20.109 -16.900 -20.604 1.00 0.72 C ATOM 1669 O SER A 104 -20.960 -17.788 -20.505 1.00 0.89 O ATOM 1670 CB SER A 104 -20.681 -15.033 -22.186 1.00 0.81 C ATOM 1671 OG SER A 104 -21.077 -13.669 -22.302 1.00 1.05 O ATOM 0 H SER A 104 -19.017 -13.953 -20.730 1.00 0.53 H new ATOM 0 HA SER A 104 -21.473 -15.297 -20.198 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.741 -15.191 -22.714 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.424 -15.675 -22.660 1.00 0.81 H new ATOM 0 HG SER A 104 -20.395 -13.095 -21.895 1.00 1.05 H new ATOM 1677 N SER A 105 -18.795 -17.145 -20.609 1.00 0.80 N ATOM 1678 CA SER A 105 -18.245 -18.502 -20.500 1.00 1.13 C ATOM 1679 C SER A 105 -18.012 -18.899 -19.029 1.00 1.23 C ATOM 1680 O SER A 105 -17.372 -19.913 -18.753 1.00 1.61 O ATOM 1681 CB SER A 105 -16.925 -18.586 -21.283 1.00 1.48 C ATOM 1682 OG SER A 105 -17.057 -17.992 -22.575 1.00 1.63 O ATOM 0 H SER A 105 -18.087 -16.415 -20.688 1.00 0.80 H new ATOM 0 HA SER A 105 -18.969 -19.199 -20.922 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.135 -18.082 -20.726 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.626 -19.629 -21.387 1.00 1.48 H new ATOM 0 HG SER A 105 -17.076 -17.016 -22.486 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.538 -18.105 -18.089 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.387 -18.387 -16.657 1.00 1.59 C ATOM 1690 C ALA A 106 -19.365 -19.483 -16.235 1.00 2.40 C ATOM 1691 O ALA A 106 -20.589 -19.232 -16.236 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.635 -17.121 -15.832 1.00 1.90 C ATOM 1693 OXT ALA A 106 -18.912 -20.599 -15.917 1.00 3.05 O ATOM 0 H ALA A 106 -19.073 -17.261 -18.295 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.367 -18.727 -16.475 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.519 -17.349 -14.772 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.917 -16.353 -16.119 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.646 -16.759 -16.017 1.00 1.90 H new TER 1699 ALA A 106