USER MOD reduce.3.24.130724 H: found=0, std=0, add=1209, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1209 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 LYS NZ :NH3+ -137:sc= 2.28 (180deg=-1.54!) USER MOD Set 1.2: B 15 GLN : amide:sc= -0.571! C(o=1.7!,f=-10!) USER MOD Set 2.1: A 101 SER OG : rot -98:sc= 1.07 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.633 K(o=1.7,f=-2.7) USER MOD Set 3.1: A 107 HIS : no HD1:sc= -0.0401 K(o=0.12,f=-1.1) USER MOD Set 3.2: A 111 ASN : amide:sc= 0.16 K(o=0.12,f=-3.5!) USER MOD Set 4.1: A 81 SER OG : rot -52:sc= 1.31 USER MOD Set 4.2: A 145 MET CE :methyl 180:sc= -0.207 (180deg=-0.207) USER MOD Set 4.3: A 146 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 72 MET CE :methyl -159:sc= -0.0959 (180deg=-0.616) USER MOD Set 5.2: A 76 MET CE :methyl -164:sc= -0.0137 (180deg=-0.0552) USER MOD Set 6.1: A 60 ASN : amide:sc= 0.0776 K(o=0.4,f=-1!) USER MOD Set 6.2: A 62 THR OG1 : rot -170:sc= 0.322 USER MOD Set 7.1: A 5 THR OG1 : rot 132:sc= 0.864 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.05 K(o=1.9,f=0.7) USER MOD Set 7.3: B 14 TYR OH : rot 93:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.613 (180deg=0.544) USER MOD Single : A 17 SER OG : rot 81:sc= 0.946 USER MOD Single : A 21 LYS NZ :NH3+ -132:sc= 2.21 (180deg=-1.57) USER MOD Single : A 26 THR OG1 : rot 110:sc= 1.21 USER MOD Single : A 28 THR OG1 : rot -103:sc= 0.834 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 66:sc= 0.464 USER MOD Single : A 36 MET CE :methyl -143:sc= -0.157 (180deg=-1.49!) USER MOD Single : A 38 SER OG : rot -171:sc= 1.02 USER MOD Single : A 41 GLN : amide:sc= -0.0801 X(o=-0.08,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 49 GLN : amide:sc= -0.62 K(o=-0.62,f=-2.8!) USER MOD Single : A 51 MET CE :methyl -148:sc= 0 (180deg=-0.932) USER MOD Single : A 53 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 71 MET CE :methyl 151:sc= -0.251 (180deg=-2.23!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 1.83 (180deg=1.35) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -76:sc= 0.384 USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -0.0379 (180deg=-1.05) USER MOD Single : A 97 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 69:sc= 0.742 USER MOD Single : A 115 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.09) USER MOD Single : A 117 THR OG1 : rot 90:sc= -1.34 USER MOD Single : A 124 MET CE :methyl -178:sc= -2.76 (180deg=-2.8) USER MOD Single : A 137 ASN : amide:sc= 0.544 K(o=0.54,f=-7.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.058) USER MOD Single : A 144 MET CE :methyl -160:sc= -3.73 (180deg=-4.82!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -172:sc= 1.15 (180deg=0.975) USER MOD Single : B 3 CYS SG : rot -34:sc= -2! USER MOD Single : B 5 CYS SG : rot -45:sc= -4.25! USER MOD Single : B 8 THR OG1 : rot 125:sc= 0.386 USER MOD Single : B 9 THR OG1 : rot 53:sc= 1.23 USER MOD Single : B 10 LYS NZ :NH3+ -164:sc= 0.134 (180deg=-0.885!) USER MOD Single : B 12 TYR OH : rot -121:sc= 0.636 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 5 1.848 17.490 2.138 1.00 1.17 N ATOM 21 CA THR A 5 2.593 17.904 0.962 1.00 1.07 C ATOM 22 C THR A 5 1.718 17.881 -0.293 1.00 0.97 C ATOM 23 O THR A 5 1.077 16.873 -0.595 1.00 0.96 O ATOM 24 CB THR A 5 3.803 16.993 0.741 1.00 1.11 C ATOM 25 OG1 THR A 5 3.850 15.995 1.777 1.00 1.25 O ATOM 26 CG2 THR A 5 5.093 17.794 0.735 1.00 1.21 C ATOM 0 HA THR A 5 2.929 18.926 1.139 1.00 1.07 H new ATOM 0 HB THR A 5 3.700 16.509 -0.230 1.00 1.11 H new ATOM 0 HG1 THR A 5 3.982 15.111 1.374 1.00 1.25 H new ATOM 0 HG21 THR A 5 5.937 17.123 0.576 1.00 1.21 H new ATOM 0 HG22 THR A 5 5.060 18.531 -0.067 1.00 1.21 H new ATOM 0 HG23 THR A 5 5.209 18.303 1.692 1.00 1.21 H new ATOM 34 N GLU A 6 1.691 19.005 -1.003 1.00 0.93 N ATOM 35 CA GLU A 6 0.902 19.117 -2.225 1.00 0.88 C ATOM 36 C GLU A 6 1.364 18.113 -3.281 1.00 0.84 C ATOM 37 O GLU A 6 0.593 17.742 -4.163 1.00 0.82 O ATOM 38 CB GLU A 6 0.932 20.546 -2.769 1.00 0.92 C ATOM 39 CG GLU A 6 -0.094 21.452 -2.099 1.00 1.07 C ATOM 40 CD GLU A 6 0.329 22.907 -2.055 1.00 1.44 C ATOM 41 OE1 GLU A 6 1.327 23.214 -1.365 1.00 1.91 O ATOM 42 OE2 GLU A 6 -0.349 23.750 -2.683 1.00 1.97 O ATOM 0 H GLU A 6 2.205 19.850 -0.754 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.131 18.876 -1.975 1.00 0.88 H new ATOM 0 HB2 GLU A 6 1.928 20.964 -2.626 1.00 0.92 H new ATOM 0 HB3 GLU A 6 0.746 20.526 -3.843 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -1.042 21.372 -2.632 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.269 21.101 -1.082 1.00 1.07 H new ATOM 49 N GLU A 7 2.620 17.682 -3.197 1.00 0.86 N ATOM 50 CA GLU A 7 3.146 16.690 -4.130 1.00 0.85 C ATOM 51 C GLU A 7 2.331 15.404 -4.010 1.00 0.84 C ATOM 52 O GLU A 7 1.952 14.806 -5.013 1.00 0.82 O ATOM 53 CB GLU A 7 4.628 16.401 -3.861 1.00 0.90 C ATOM 54 CG GLU A 7 5.542 17.581 -4.145 1.00 1.18 C ATOM 55 CD GLU A 7 5.710 18.479 -2.938 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.724 19.128 -2.532 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.828 18.534 -2.386 1.00 1.98 O ATOM 0 H GLU A 7 3.289 18.002 -2.497 1.00 0.86 H new ATOM 0 HA GLU A 7 3.064 17.088 -5.142 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.748 16.103 -2.819 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.941 15.555 -4.473 1.00 0.90 H new ATOM 0 HG2 GLU A 7 6.518 17.214 -4.461 1.00 1.18 H new ATOM 0 HG3 GLU A 7 5.136 18.161 -4.974 1.00 1.18 H new ATOM 64 N GLN A 8 2.054 14.997 -2.773 1.00 0.87 N ATOM 65 CA GLN A 8 1.251 13.803 -2.527 1.00 0.89 C ATOM 66 C GLN A 8 -0.155 14.002 -3.070 1.00 0.83 C ATOM 67 O GLN A 8 -0.711 13.112 -3.710 1.00 0.81 O ATOM 68 CB GLN A 8 1.210 13.466 -1.036 1.00 0.99 C ATOM 69 CG GLN A 8 2.315 12.517 -0.602 1.00 1.24 C ATOM 70 CD GLN A 8 3.696 13.102 -0.805 1.00 1.43 C ATOM 71 OE1 GLN A 8 4.234 13.760 0.086 1.00 1.54 O ATOM 72 NE2 GLN A 8 4.270 12.876 -1.976 1.00 1.62 N ATOM 0 H GLN A 8 2.372 15.474 -1.930 1.00 0.87 H new ATOM 0 HA GLN A 8 1.714 12.963 -3.045 1.00 0.89 H new ATOM 0 HB2 GLN A 8 1.286 14.388 -0.460 1.00 0.99 H new ATOM 0 HB3 GLN A 8 0.244 13.021 -0.798 1.00 0.99 H new ATOM 0 HG2 GLN A 8 2.181 12.266 0.450 1.00 1.24 H new ATOM 0 HG3 GLN A 8 2.232 11.587 -1.164 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.785 12.325 -2.684 1.00 1.62 H new ATOM 0 HE22 GLN A 8 5.197 13.253 -2.171 1.00 1.62 H new ATOM 81 N ILE A 9 -0.737 15.163 -2.782 1.00 0.84 N ATOM 82 CA ILE A 9 -2.064 15.505 -3.293 1.00 0.83 C ATOM 83 C ILE A 9 -2.076 15.398 -4.819 1.00 0.77 C ATOM 84 O ILE A 9 -3.057 14.958 -5.420 1.00 0.78 O ATOM 85 CB ILE A 9 -2.484 16.933 -2.867 1.00 0.87 C ATOM 86 CG1 ILE A 9 -2.386 17.087 -1.343 1.00 0.92 C ATOM 87 CG2 ILE A 9 -3.897 17.248 -3.351 1.00 0.92 C ATOM 88 CD1 ILE A 9 -3.400 16.265 -0.571 1.00 1.13 C ATOM 0 H ILE A 9 -0.312 15.883 -2.198 1.00 0.84 H new ATOM 0 HA ILE A 9 -2.779 14.801 -2.868 1.00 0.83 H new ATOM 0 HB ILE A 9 -1.801 17.645 -3.330 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -1.384 16.801 -1.023 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -2.515 18.138 -1.086 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.172 18.256 -3.041 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.933 17.181 -4.438 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -4.597 16.532 -2.920 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -3.264 16.430 0.498 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.407 16.566 -0.859 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.258 15.208 -0.796 1.00 1.13 H new ATOM 100 N ALA A 10 -0.962 15.784 -5.432 1.00 0.74 N ATOM 101 CA ALA A 10 -0.815 15.713 -6.877 1.00 0.71 C ATOM 102 C ALA A 10 -0.774 14.255 -7.330 1.00 0.68 C ATOM 103 O ALA A 10 -1.284 13.909 -8.404 1.00 0.70 O ATOM 104 CB ALA A 10 0.439 16.460 -7.319 1.00 0.74 C ATOM 0 H ALA A 10 -0.144 16.151 -4.945 1.00 0.74 H new ATOM 0 HA ALA A 10 -1.675 16.191 -7.345 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.536 16.398 -8.403 1.00 0.74 H new ATOM 0 HB2 ALA A 10 0.364 17.506 -7.020 1.00 0.74 H new ATOM 0 HB3 ALA A 10 1.314 16.011 -6.850 1.00 0.74 H new ATOM 110 N GLU A 11 -0.169 13.402 -6.506 1.00 0.68 N ATOM 111 CA GLU A 11 -0.080 11.976 -6.802 1.00 0.69 C ATOM 112 C GLU A 11 -1.451 11.320 -6.665 1.00 0.65 C ATOM 113 O GLU A 11 -1.870 10.565 -7.542 1.00 0.62 O ATOM 114 CB GLU A 11 0.921 11.280 -5.872 1.00 0.75 C ATOM 115 CG GLU A 11 2.374 11.654 -6.122 1.00 0.96 C ATOM 116 CD GLU A 11 3.338 10.798 -5.316 1.00 1.07 C ATOM 117 OE1 GLU A 11 3.281 10.843 -4.065 1.00 1.21 O ATOM 118 OE2 GLU A 11 4.133 10.046 -5.924 1.00 1.57 O ATOM 0 H GLU A 11 0.268 13.676 -5.626 1.00 0.68 H new ATOM 0 HA GLU A 11 0.270 11.869 -7.829 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.668 11.522 -4.840 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.812 10.201 -5.982 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.597 11.547 -7.184 1.00 0.96 H new ATOM 0 HG3 GLU A 11 2.525 12.703 -5.869 1.00 0.96 H new ATOM 125 N PHE A 12 -2.141 11.608 -5.561 1.00 0.67 N ATOM 126 CA PHE A 12 -3.475 11.057 -5.306 1.00 0.67 C ATOM 127 C PHE A 12 -4.441 11.379 -6.434 1.00 0.66 C ATOM 128 O PHE A 12 -5.407 10.644 -6.668 1.00 0.64 O ATOM 129 CB PHE A 12 -4.019 11.571 -3.975 1.00 0.73 C ATOM 130 CG PHE A 12 -3.360 10.932 -2.784 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.300 9.554 -2.669 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.800 11.709 -1.783 1.00 1.29 C ATOM 133 CE1 PHE A 12 -2.692 8.962 -1.582 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.192 11.120 -0.693 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.138 9.745 -0.592 1.00 1.85 C ATOM 0 H PHE A 12 -1.797 12.223 -4.824 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.379 9.972 -5.254 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -3.879 12.651 -3.925 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.092 11.386 -3.932 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -3.735 8.935 -3.440 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -2.840 12.786 -1.856 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -2.650 7.885 -1.506 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.758 11.736 0.081 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.663 9.283 0.261 1.00 1.85 H new ATOM 145 N LYS A 13 -4.210 12.501 -7.095 1.00 0.67 N ATOM 146 CA LYS A 13 -5.011 12.910 -8.249 1.00 0.69 C ATOM 147 C LYS A 13 -5.067 11.796 -9.287 1.00 0.64 C ATOM 148 O LYS A 13 -6.081 11.605 -9.965 1.00 0.64 O ATOM 149 CB LYS A 13 -4.412 14.175 -8.867 1.00 0.75 C ATOM 150 CG LYS A 13 -4.989 14.548 -10.217 1.00 0.91 C ATOM 151 CD LYS A 13 -3.955 15.248 -11.078 1.00 1.14 C ATOM 152 CE LYS A 13 -3.114 14.250 -11.870 1.00 1.25 C ATOM 153 NZ LYS A 13 -1.740 14.089 -11.310 1.00 1.50 N ATOM 0 H LYS A 13 -3.466 13.155 -6.852 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.028 13.117 -7.915 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.563 15.007 -8.179 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.336 14.039 -8.971 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -5.343 13.651 -10.725 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -5.853 15.198 -10.080 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -4.455 15.930 -11.766 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -3.304 15.853 -10.447 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.616 13.282 -11.877 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -3.044 14.581 -12.906 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -1.199 13.427 -11.903 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -1.261 15.012 -11.295 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -1.801 13.715 -10.341 1.00 1.50 H new ATOM 167 N GLU A 14 -3.971 11.057 -9.394 1.00 0.61 N ATOM 168 CA GLU A 14 -3.889 9.953 -10.335 1.00 0.59 C ATOM 169 C GLU A 14 -4.842 8.849 -9.914 1.00 0.53 C ATOM 170 O GLU A 14 -5.522 8.252 -10.745 1.00 0.53 O ATOM 171 CB GLU A 14 -2.461 9.410 -10.416 1.00 0.63 C ATOM 172 CG GLU A 14 -1.841 9.523 -11.800 1.00 0.98 C ATOM 173 CD GLU A 14 -1.242 10.886 -12.054 1.00 1.04 C ATOM 174 OE1 GLU A 14 -0.180 11.182 -11.480 1.00 1.45 O ATOM 175 OE2 GLU A 14 -1.833 11.666 -12.828 1.00 1.64 O ATOM 0 H GLU A 14 -3.127 11.204 -8.840 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.171 10.318 -11.323 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -1.836 9.948 -9.703 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.462 8.363 -10.113 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -1.068 8.763 -11.912 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -2.601 9.317 -12.553 1.00 0.98 H new ATOM 182 N ALA A 15 -4.912 8.608 -8.608 1.00 0.51 N ATOM 183 CA ALA A 15 -5.789 7.583 -8.066 1.00 0.47 C ATOM 184 C ALA A 15 -7.245 7.938 -8.346 1.00 0.45 C ATOM 185 O ALA A 15 -8.012 7.085 -8.776 1.00 0.44 O ATOM 186 CB ALA A 15 -5.552 7.392 -6.579 1.00 0.48 C ATOM 0 H ALA A 15 -4.369 9.112 -7.906 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.561 6.638 -8.559 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -6.221 6.620 -6.200 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.518 7.090 -6.411 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.746 8.329 -6.056 1.00 0.48 H new ATOM 192 N PHE A 16 -7.620 9.181 -8.067 1.00 0.46 N ATOM 193 CA PHE A 16 -8.988 9.647 -8.338 1.00 0.47 C ATOM 194 C PHE A 16 -9.380 9.356 -9.782 1.00 0.48 C ATOM 195 O PHE A 16 -10.458 8.836 -10.044 1.00 0.49 O ATOM 196 CB PHE A 16 -9.107 11.146 -8.084 1.00 0.54 C ATOM 197 CG PHE A 16 -9.473 11.491 -6.670 1.00 0.49 C ATOM 198 CD1 PHE A 16 -10.797 11.490 -6.262 1.00 0.78 C ATOM 199 CD2 PHE A 16 -8.490 11.821 -5.750 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.135 11.809 -4.962 1.00 1.11 C ATOM 201 CE2 PHE A 16 -8.823 12.143 -4.449 1.00 1.22 C ATOM 202 CZ PHE A 16 -10.146 12.135 -4.054 1.00 1.23 C ATOM 0 H PHE A 16 -7.006 9.885 -7.656 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.659 9.112 -7.666 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.159 11.624 -8.332 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.858 11.561 -8.756 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.573 11.237 -6.969 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -7.454 11.826 -6.054 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -12.171 11.804 -4.655 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -8.049 12.401 -3.741 1.00 1.22 H new ATOM 0 HZ PHE A 16 -10.408 12.383 -3.036 1.00 1.23 H new ATOM 212 N SER A 17 -8.486 9.671 -10.704 1.00 0.52 N ATOM 213 CA SER A 17 -8.735 9.455 -12.123 1.00 0.56 C ATOM 214 C SER A 17 -8.650 7.964 -12.469 1.00 0.49 C ATOM 215 O SER A 17 -9.049 7.538 -13.555 1.00 0.55 O ATOM 216 CB SER A 17 -7.731 10.260 -12.948 1.00 0.64 C ATOM 217 OG SER A 17 -7.507 11.541 -12.366 1.00 0.77 O ATOM 0 H SER A 17 -7.575 10.080 -10.495 1.00 0.52 H new ATOM 0 HA SER A 17 -9.743 9.795 -12.361 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.789 9.716 -13.014 1.00 0.64 H new ATOM 0 HB3 SER A 17 -8.102 10.378 -13.966 1.00 0.64 H new ATOM 0 HG SER A 17 -6.871 11.457 -11.625 1.00 0.77 H new ATOM 223 N LEU A 18 -8.138 7.173 -11.536 1.00 0.42 N ATOM 224 CA LEU A 18 -8.018 5.742 -11.733 1.00 0.38 C ATOM 225 C LEU A 18 -9.296 5.053 -11.290 1.00 0.36 C ATOM 226 O LEU A 18 -9.876 4.265 -12.042 1.00 0.38 O ATOM 227 CB LEU A 18 -6.828 5.180 -10.955 1.00 0.42 C ATOM 228 CG LEU A 18 -6.794 3.654 -10.862 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.212 3.053 -12.125 1.00 1.43 C ATOM 230 CD2 LEU A 18 -6.012 3.211 -9.639 1.00 1.02 C ATOM 0 H LEU A 18 -7.799 7.504 -10.633 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.852 5.554 -12.794 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -5.907 5.523 -11.427 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -6.842 5.593 -9.946 1.00 0.42 H new ATOM 0 HG LEU A 18 -7.817 3.293 -10.759 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.197 1.967 -12.038 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -6.824 3.340 -12.980 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.195 3.420 -12.267 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -5.999 2.122 -9.590 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.990 3.583 -9.706 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -6.485 3.609 -8.741 1.00 1.02 H new ATOM 242 N PHE A 19 -9.742 5.350 -10.066 1.00 0.35 N ATOM 243 CA PHE A 19 -10.949 4.759 -9.526 1.00 0.35 C ATOM 244 C PHE A 19 -12.181 5.283 -10.255 1.00 0.35 C ATOM 245 O PHE A 19 -13.096 4.522 -10.554 1.00 0.37 O ATOM 246 CB PHE A 19 -11.053 5.042 -8.017 1.00 0.35 C ATOM 247 CG PHE A 19 -10.026 4.310 -7.196 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.943 2.930 -7.242 1.00 0.41 C ATOM 249 CD2 PHE A 19 -9.143 5.002 -6.387 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.997 2.252 -6.498 1.00 0.50 C ATOM 251 CE2 PHE A 19 -8.195 4.332 -5.640 1.00 0.51 C ATOM 252 CZ PHE A 19 -8.120 2.952 -5.694 1.00 0.56 C ATOM 0 H PHE A 19 -9.275 6.001 -9.435 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.900 3.680 -9.675 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.945 6.113 -7.848 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -12.048 4.764 -7.671 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.627 2.375 -7.868 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -9.196 6.080 -6.339 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.944 1.174 -6.545 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.512 4.886 -5.013 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.380 2.425 -5.110 1.00 0.56 H new ATOM 262 N ASP A 20 -12.193 6.580 -10.554 1.00 0.36 N ATOM 263 CA ASP A 20 -13.317 7.196 -11.255 1.00 0.38 C ATOM 264 C ASP A 20 -13.304 6.823 -12.730 1.00 0.44 C ATOM 265 O ASP A 20 -12.250 6.802 -13.368 1.00 0.50 O ATOM 266 CB ASP A 20 -13.279 8.719 -11.117 1.00 0.40 C ATOM 267 CG ASP A 20 -14.563 9.374 -11.579 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.713 9.618 -12.788 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.440 9.636 -10.727 1.00 0.42 O ATOM 0 H ASP A 20 -11.437 7.225 -10.322 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.233 6.821 -10.799 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -13.095 8.982 -10.075 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.445 9.113 -11.697 1.00 0.40 H new ATOM 274 N LYS A 21 -14.478 6.513 -13.263 1.00 0.45 N ATOM 275 CA LYS A 21 -14.616 6.138 -14.660 1.00 0.52 C ATOM 276 C LYS A 21 -15.901 6.708 -15.245 1.00 0.55 C ATOM 277 O LYS A 21 -16.408 6.218 -16.257 1.00 0.72 O ATOM 278 CB LYS A 21 -14.601 4.612 -14.803 1.00 0.53 C ATOM 279 CG LYS A 21 -13.220 4.002 -14.625 1.00 0.58 C ATOM 280 CD LYS A 21 -12.351 4.220 -15.856 1.00 0.71 C ATOM 281 CE LYS A 21 -10.874 4.121 -15.513 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.463 5.155 -14.531 1.00 0.62 N ATOM 0 H LYS A 21 -15.355 6.515 -12.742 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.773 6.552 -15.212 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.279 4.179 -14.067 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.985 4.343 -15.787 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.736 4.443 -13.754 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.315 2.934 -14.430 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.601 3.479 -16.616 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.562 5.200 -16.284 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.661 3.131 -15.109 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -10.282 4.228 -16.422 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.595 5.623 -14.862 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -11.221 5.860 -14.432 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -10.284 4.707 -13.610 1.00 0.62 H new ATOM 296 N ASP A 22 -16.432 7.748 -14.607 1.00 0.49 N ATOM 297 CA ASP A 22 -17.660 8.384 -15.083 1.00 0.52 C ATOM 298 C ASP A 22 -17.479 9.891 -15.243 1.00 0.53 C ATOM 299 O ASP A 22 -18.281 10.551 -15.909 1.00 0.57 O ATOM 300 CB ASP A 22 -18.851 8.079 -14.161 1.00 0.51 C ATOM 301 CG ASP A 22 -18.598 8.385 -12.697 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.736 9.222 -12.387 1.00 0.47 O ATOM 303 OD2 ASP A 22 -19.265 7.786 -11.831 1.00 0.47 O ATOM 0 H ASP A 22 -16.036 8.167 -13.765 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.879 7.961 -16.063 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.713 8.655 -14.497 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.113 7.026 -14.261 1.00 0.51 H new ATOM 308 N GLY A 23 -16.426 10.428 -14.645 1.00 0.52 N ATOM 309 CA GLY A 23 -16.158 11.848 -14.746 1.00 0.55 C ATOM 310 C GLY A 23 -16.931 12.649 -13.725 1.00 0.54 C ATOM 311 O GLY A 23 -17.145 13.851 -13.896 1.00 0.59 O ATOM 0 H GLY A 23 -15.750 9.904 -14.090 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.091 12.025 -14.612 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.415 12.194 -15.747 1.00 0.55 H new ATOM 315 N ASP A 24 -17.358 11.983 -12.666 1.00 0.50 N ATOM 316 CA ASP A 24 -18.114 12.635 -11.608 1.00 0.51 C ATOM 317 C ASP A 24 -17.176 13.090 -10.488 1.00 0.51 C ATOM 318 O ASP A 24 -17.471 14.036 -9.759 1.00 0.58 O ATOM 319 CB ASP A 24 -19.222 11.697 -11.099 1.00 0.50 C ATOM 320 CG ASP A 24 -19.025 11.221 -9.678 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.296 10.224 -9.482 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.611 11.826 -8.761 1.00 0.57 O ATOM 0 H ASP A 24 -17.194 10.988 -12.515 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.598 13.528 -12.002 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.180 12.213 -11.168 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.279 10.830 -11.757 1.00 0.50 H new ATOM 327 N GLY A 25 -16.041 12.409 -10.356 1.00 0.47 N ATOM 328 CA GLY A 25 -15.055 12.782 -9.350 1.00 0.50 C ATOM 329 C GLY A 25 -15.219 12.041 -8.036 1.00 0.50 C ATOM 330 O GLY A 25 -14.399 12.181 -7.130 1.00 0.74 O ATOM 0 H GLY A 25 -15.784 11.604 -10.927 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.057 12.591 -9.743 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.125 13.854 -9.164 1.00 0.50 H new ATOM 334 N THR A 26 -16.271 11.250 -7.930 1.00 0.41 N ATOM 335 CA THR A 26 -16.539 10.510 -6.712 1.00 0.39 C ATOM 336 C THR A 26 -16.328 9.014 -6.915 1.00 0.34 C ATOM 337 O THR A 26 -16.435 8.498 -8.035 1.00 0.37 O ATOM 338 CB THR A 26 -17.973 10.772 -6.217 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.358 12.116 -6.532 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.078 10.562 -4.717 1.00 0.46 C ATOM 0 H THR A 26 -16.954 11.104 -8.674 1.00 0.41 H new ATOM 0 HA THR A 26 -15.834 10.859 -5.957 1.00 0.39 H new ATOM 0 HB THR A 26 -18.638 10.067 -6.717 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.042 12.104 -7.234 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.101 10.754 -4.394 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.807 9.535 -4.474 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.402 11.247 -4.206 1.00 0.46 H new ATOM 348 N ILE A 27 -16.034 8.330 -5.822 1.00 0.33 N ATOM 349 CA ILE A 27 -15.801 6.898 -5.838 1.00 0.31 C ATOM 350 C ILE A 27 -17.099 6.128 -5.606 1.00 0.32 C ATOM 351 O ILE A 27 -17.876 6.454 -4.708 1.00 0.41 O ATOM 352 CB ILE A 27 -14.774 6.500 -4.747 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.341 6.657 -5.248 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.997 5.075 -4.270 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.523 7.627 -4.429 1.00 0.37 C ATOM 0 H ILE A 27 -15.950 8.754 -4.898 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.406 6.642 -6.821 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.926 7.177 -3.906 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.852 5.683 -5.239 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.361 6.994 -6.284 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.260 4.828 -3.506 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.999 4.984 -3.851 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.892 4.389 -5.111 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.515 7.691 -4.840 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -12.990 8.612 -4.458 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.473 7.280 -3.397 1.00 0.37 H new ATOM 367 N THR A 28 -17.341 5.125 -6.434 1.00 0.31 N ATOM 368 CA THR A 28 -18.512 4.285 -6.286 1.00 0.33 C ATOM 369 C THR A 28 -18.073 2.835 -6.143 1.00 0.32 C ATOM 370 O THR A 28 -16.882 2.532 -6.222 1.00 0.33 O ATOM 371 CB THR A 28 -19.482 4.407 -7.480 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.806 4.074 -8.696 1.00 0.39 O ATOM 373 CG2 THR A 28 -20.055 5.812 -7.580 1.00 0.41 C ATOM 0 H THR A 28 -16.738 4.874 -7.218 1.00 0.31 H new ATOM 0 HA THR A 28 -19.045 4.620 -5.396 1.00 0.33 H new ATOM 0 HB THR A 28 -20.305 3.711 -7.319 1.00 0.37 H new ATOM 0 HG1 THR A 28 -18.589 4.895 -9.185 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.735 5.868 -8.430 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.598 6.050 -6.665 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.244 6.527 -7.716 1.00 0.41 H new ATOM 381 N THR A 29 -19.032 1.945 -5.992 1.00 0.32 N ATOM 382 CA THR A 29 -18.746 0.537 -5.817 1.00 0.34 C ATOM 383 C THR A 29 -18.490 -0.119 -7.172 1.00 0.34 C ATOM 384 O THR A 29 -17.669 -1.029 -7.302 1.00 0.38 O ATOM 385 CB THR A 29 -19.935 -0.146 -5.123 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.897 0.864 -4.780 1.00 0.57 O ATOM 387 CG2 THR A 29 -19.500 -0.886 -3.866 1.00 0.60 C ATOM 0 H THR A 29 -20.026 2.176 -5.987 1.00 0.32 H new ATOM 0 HA THR A 29 -17.855 0.427 -5.199 1.00 0.34 H new ATOM 0 HB THR A 29 -20.367 -0.880 -5.803 1.00 0.38 H new ATOM 0 HG1 THR A 29 -21.665 0.447 -4.337 1.00 0.57 H new ATOM 0 HG21 THR A 29 -20.367 -1.356 -3.402 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.769 -1.651 -4.129 1.00 0.60 H new ATOM 0 HG23 THR A 29 -19.052 -0.181 -3.166 1.00 0.60 H new ATOM 395 N LYS A 30 -19.175 0.387 -8.196 1.00 0.35 N ATOM 396 CA LYS A 30 -19.055 -0.148 -9.550 1.00 0.39 C ATOM 397 C LYS A 30 -17.761 0.290 -10.232 1.00 0.36 C ATOM 398 O LYS A 30 -17.181 -0.463 -11.019 1.00 0.37 O ATOM 399 CB LYS A 30 -20.251 0.295 -10.399 1.00 0.46 C ATOM 400 CG LYS A 30 -20.403 -0.487 -11.698 1.00 0.74 C ATOM 401 CD LYS A 30 -21.508 0.087 -12.572 1.00 1.11 C ATOM 402 CE LYS A 30 -21.774 -0.794 -13.781 1.00 1.68 C ATOM 403 NZ LYS A 30 -22.881 -0.266 -14.625 1.00 2.22 N ATOM 0 H LYS A 30 -19.822 1.171 -8.112 1.00 0.35 H new ATOM 0 HA LYS A 30 -19.037 -1.235 -9.465 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -21.163 0.187 -9.811 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -20.147 1.354 -10.633 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -19.460 -0.471 -12.245 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -20.623 -1.530 -11.472 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -22.421 0.188 -11.986 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -21.229 1.087 -12.903 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -20.867 -0.871 -14.380 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -22.022 -1.802 -13.447 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -23.029 -0.897 -15.438 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -23.754 -0.217 -14.062 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -22.635 0.685 -14.965 1.00 2.22 H new ATOM 417 N GLU A 31 -17.282 1.495 -9.927 1.00 0.37 N ATOM 418 CA GLU A 31 -16.080 2.003 -10.565 1.00 0.37 C ATOM 419 C GLU A 31 -14.842 1.273 -10.070 1.00 0.36 C ATOM 420 O GLU A 31 -14.052 0.769 -10.867 1.00 0.38 O ATOM 421 CB GLU A 31 -15.936 3.502 -10.308 1.00 0.37 C ATOM 422 CG GLU A 31 -16.927 4.350 -11.091 1.00 0.42 C ATOM 423 CD GLU A 31 -16.914 5.809 -10.679 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.431 6.141 -9.593 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.402 6.644 -11.437 1.00 0.42 O ATOM 0 H GLU A 31 -17.706 2.128 -9.249 1.00 0.37 H new ATOM 0 HA GLU A 31 -16.173 1.829 -11.637 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -16.067 3.694 -9.243 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.923 3.811 -10.565 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.699 4.276 -12.154 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.930 3.948 -10.952 1.00 0.42 H new ATOM 432 N LEU A 32 -14.703 1.185 -8.754 1.00 0.35 N ATOM 433 CA LEU A 32 -13.565 0.517 -8.145 1.00 0.35 C ATOM 434 C LEU A 32 -13.605 -0.974 -8.468 1.00 0.36 C ATOM 435 O LEU A 32 -12.565 -1.626 -8.604 1.00 0.38 O ATOM 436 CB LEU A 32 -13.551 0.738 -6.625 1.00 0.35 C ATOM 437 CG LEU A 32 -13.040 2.111 -6.152 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.738 3.237 -6.889 1.00 0.50 C ATOM 439 CD2 LEU A 32 -13.237 2.264 -4.656 1.00 0.44 C ATOM 0 H LEU A 32 -15.370 1.571 -8.086 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.650 0.944 -8.555 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.564 0.599 -6.247 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.932 -0.035 -6.170 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.975 2.167 -6.375 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -13.357 4.195 -6.535 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -13.548 3.144 -7.958 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.811 3.182 -6.705 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.870 3.240 -4.339 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -14.297 2.180 -4.418 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.685 1.482 -4.134 1.00 0.44 H new ATOM 451 N GLY A 33 -14.817 -1.501 -8.614 1.00 0.39 N ATOM 452 CA GLY A 33 -14.989 -2.898 -8.945 1.00 0.42 C ATOM 453 C GLY A 33 -14.384 -3.222 -10.293 1.00 0.46 C ATOM 454 O GLY A 33 -13.886 -4.327 -10.515 1.00 0.50 O ATOM 0 H GLY A 33 -15.687 -0.979 -8.507 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.523 -3.516 -8.177 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -16.051 -3.144 -8.952 1.00 0.42 H new ATOM 458 N THR A 34 -14.458 -2.263 -11.205 1.00 0.46 N ATOM 459 CA THR A 34 -13.890 -2.424 -12.527 1.00 0.52 C ATOM 460 C THR A 34 -12.365 -2.618 -12.455 1.00 0.53 C ATOM 461 O THR A 34 -11.822 -3.501 -13.119 1.00 0.56 O ATOM 462 CB THR A 34 -14.213 -1.217 -13.426 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.624 -0.948 -13.393 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.785 -1.481 -14.860 1.00 0.60 C ATOM 0 H THR A 34 -14.909 -1.362 -11.048 1.00 0.46 H new ATOM 0 HA THR A 34 -14.341 -3.316 -12.963 1.00 0.52 H new ATOM 0 HB THR A 34 -13.664 -0.354 -13.049 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.882 -0.665 -12.491 1.00 0.58 H new ATOM 0 HG21 THR A 34 -14.023 -0.614 -15.476 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.711 -1.664 -14.891 1.00 0.60 H new ATOM 0 HG23 THR A 34 -14.313 -2.354 -15.242 1.00 0.60 H new ATOM 472 N VAL A 35 -11.711 -1.827 -11.627 1.00 0.53 N ATOM 473 CA VAL A 35 -10.250 -1.924 -11.450 1.00 0.55 C ATOM 474 C VAL A 35 -9.894 -3.271 -10.817 1.00 0.57 C ATOM 475 O VAL A 35 -8.908 -3.908 -11.184 1.00 0.58 O ATOM 476 CB VAL A 35 -9.697 -0.776 -10.574 1.00 0.58 C ATOM 477 CG1 VAL A 35 -8.174 -0.758 -10.586 1.00 0.63 C ATOM 478 CG2 VAL A 35 -10.254 0.561 -11.034 1.00 0.60 C ATOM 0 H VAL A 35 -12.156 -1.105 -11.060 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.791 -1.841 -12.435 1.00 0.55 H new ATOM 0 HB VAL A 35 -10.020 -0.951 -9.548 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.815 0.060 -9.961 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.796 -1.704 -10.198 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.820 -0.617 -11.607 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.854 1.357 -10.406 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.967 0.737 -12.071 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.341 0.549 -10.956 1.00 0.60 H new ATOM 488 N MET A 36 -10.731 -3.703 -9.885 1.00 0.58 N ATOM 489 CA MET A 36 -10.532 -4.980 -9.187 1.00 0.62 C ATOM 490 C MET A 36 -10.750 -6.165 -10.116 1.00 0.62 C ATOM 491 O MET A 36 -10.434 -7.305 -9.781 1.00 0.67 O ATOM 492 CB MET A 36 -11.456 -5.084 -7.977 1.00 0.65 C ATOM 493 CG MET A 36 -10.927 -4.357 -6.752 1.00 0.82 C ATOM 494 SD MET A 36 -11.936 -4.627 -5.277 1.00 0.92 S ATOM 495 CE MET A 36 -13.229 -3.402 -5.501 1.00 1.07 C ATOM 0 H MET A 36 -11.561 -3.190 -9.588 1.00 0.58 H new ATOM 0 HA MET A 36 -9.498 -5.006 -8.844 1.00 0.62 H new ATOM 0 HB2 MET A 36 -12.433 -4.677 -8.239 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.604 -6.136 -7.731 1.00 0.65 H new ATOM 0 HG2 MET A 36 -9.907 -4.687 -6.553 1.00 0.82 H new ATOM 0 HG3 MET A 36 -10.881 -3.289 -6.963 1.00 0.82 H new ATOM 0 HE1 MET A 36 -13.499 -2.977 -4.534 1.00 1.07 H new ATOM 0 HE2 MET A 36 -12.870 -2.610 -6.158 1.00 1.07 H new ATOM 0 HE3 MET A 36 -14.104 -3.874 -5.947 1.00 1.07 H new ATOM 505 N ARG A 37 -11.269 -5.889 -11.305 1.00 0.60 N ATOM 506 CA ARG A 37 -11.517 -6.928 -12.286 1.00 0.63 C ATOM 507 C ARG A 37 -10.254 -7.152 -13.102 1.00 0.65 C ATOM 508 O ARG A 37 -9.862 -8.287 -13.367 1.00 0.68 O ATOM 509 CB ARG A 37 -12.684 -6.530 -13.205 1.00 0.64 C ATOM 510 CG ARG A 37 -12.878 -7.456 -14.397 1.00 0.72 C ATOM 511 CD ARG A 37 -13.159 -6.665 -15.660 1.00 0.83 C ATOM 512 NE ARG A 37 -12.082 -5.719 -15.957 1.00 0.86 N ATOM 513 CZ ARG A 37 -12.021 -4.971 -17.059 1.00 1.25 C ATOM 514 NH1 ARG A 37 -12.967 -5.064 -17.989 1.00 1.82 N ATOM 515 NH2 ARG A 37 -11.011 -4.128 -17.227 1.00 1.32 N ATOM 0 H ARG A 37 -11.526 -4.950 -11.611 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.788 -7.852 -11.775 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.603 -6.511 -12.620 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.517 -5.516 -13.569 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.986 -8.066 -14.537 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.704 -8.139 -14.200 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.283 -7.350 -16.499 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -14.099 -6.124 -15.549 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.328 -5.626 -15.276 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -13.746 -5.711 -17.862 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -12.914 -4.489 -18.830 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -10.285 -4.054 -16.515 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -10.960 -3.554 -18.069 1.00 1.32 H new ATOM 529 N SER A 38 -9.593 -6.046 -13.441 1.00 0.64 N ATOM 530 CA SER A 38 -8.370 -6.076 -14.235 1.00 0.68 C ATOM 531 C SER A 38 -7.185 -6.600 -13.425 1.00 0.66 C ATOM 532 O SER A 38 -6.125 -6.901 -13.976 1.00 0.69 O ATOM 533 CB SER A 38 -8.069 -4.673 -14.755 1.00 0.70 C ATOM 534 OG SER A 38 -9.275 -3.976 -15.030 1.00 0.80 O ATOM 0 H SER A 38 -9.891 -5.108 -13.173 1.00 0.64 H new ATOM 0 HA SER A 38 -8.523 -6.757 -15.072 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.484 -4.123 -14.018 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.464 -4.736 -15.659 1.00 0.70 H new ATOM 0 HG SER A 38 -9.070 -3.137 -15.493 1.00 0.80 H new ATOM 540 N LEU A 39 -7.362 -6.698 -12.115 1.00 0.66 N ATOM 541 CA LEU A 39 -6.310 -7.205 -11.246 1.00 0.67 C ATOM 542 C LEU A 39 -6.360 -8.725 -11.196 1.00 0.73 C ATOM 543 O LEU A 39 -5.638 -9.361 -10.424 1.00 0.86 O ATOM 544 CB LEU A 39 -6.452 -6.637 -9.835 1.00 0.62 C ATOM 545 CG LEU A 39 -5.813 -5.268 -9.624 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.385 -4.606 -8.383 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.301 -5.400 -9.511 1.00 0.57 C ATOM 0 H LEU A 39 -8.221 -6.434 -11.632 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.349 -6.889 -11.653 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.512 -6.568 -9.592 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -6.009 -7.341 -9.130 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.039 -4.641 -10.486 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.920 -3.630 -8.244 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.462 -4.482 -8.500 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -6.184 -5.230 -7.512 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -3.860 -4.415 -9.361 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -4.054 -6.041 -8.665 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -3.905 -5.839 -10.427 1.00 0.57 H new ATOM 559 N GLY A 40 -7.224 -9.300 -12.023 1.00 0.74 N ATOM 560 CA GLY A 40 -7.365 -10.736 -12.065 1.00 0.82 C ATOM 561 C GLY A 40 -8.153 -11.249 -10.884 1.00 0.79 C ATOM 562 O GLY A 40 -7.798 -12.264 -10.285 1.00 0.89 O ATOM 0 H GLY A 40 -7.830 -8.792 -12.667 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.863 -11.027 -12.990 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.378 -11.199 -12.075 1.00 0.82 H new ATOM 566 N GLN A 41 -9.207 -10.529 -10.534 1.00 0.80 N ATOM 567 CA GLN A 41 -10.055 -10.910 -9.420 1.00 0.79 C ATOM 568 C GLN A 41 -11.510 -10.712 -9.797 1.00 0.77 C ATOM 569 O GLN A 41 -11.823 -9.939 -10.703 1.00 0.92 O ATOM 570 CB GLN A 41 -9.711 -10.096 -8.169 1.00 0.82 C ATOM 571 CG GLN A 41 -8.328 -10.391 -7.623 1.00 0.93 C ATOM 572 CD GLN A 41 -7.981 -9.545 -6.416 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.250 -9.928 -5.280 1.00 1.25 O ATOM 574 NE2 GLN A 41 -7.376 -8.394 -6.653 1.00 1.23 N ATOM 0 H GLN A 41 -9.495 -9.674 -11.009 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.884 -11.962 -9.193 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.782 -9.034 -8.404 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.451 -10.302 -7.395 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.267 -11.445 -7.352 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.589 -10.220 -8.406 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -7.171 -8.114 -7.612 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -7.114 -7.786 -5.877 1.00 1.23 H new ATOM 583 N ASN A 42 -12.395 -11.425 -9.122 1.00 0.69 N ATOM 584 CA ASN A 42 -13.816 -11.320 -9.398 1.00 0.69 C ATOM 585 C ASN A 42 -14.604 -11.325 -8.104 1.00 0.65 C ATOM 586 O ASN A 42 -15.059 -12.374 -7.643 1.00 0.74 O ATOM 587 CB ASN A 42 -14.284 -12.459 -10.300 1.00 0.76 C ATOM 588 CG ASN A 42 -15.576 -12.126 -11.017 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.671 -12.377 -10.507 1.00 1.37 O ATOM 590 ND2 ASN A 42 -15.462 -11.551 -12.203 1.00 1.33 N ATOM 0 H ASN A 42 -12.154 -12.082 -8.380 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.991 -10.378 -9.918 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.509 -12.681 -11.034 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.424 -13.360 -9.702 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.298 -11.299 -12.730 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -14.538 -11.360 -12.590 1.00 1.33 H new ATOM 597 N PRO A 43 -14.748 -10.152 -7.492 1.00 0.60 N ATOM 598 CA PRO A 43 -15.476 -9.997 -6.249 1.00 0.61 C ATOM 599 C PRO A 43 -16.951 -9.705 -6.479 1.00 0.56 C ATOM 600 O PRO A 43 -17.323 -9.012 -7.430 1.00 0.55 O ATOM 601 CB PRO A 43 -14.789 -8.791 -5.599 1.00 0.65 C ATOM 602 CG PRO A 43 -14.055 -8.068 -6.690 1.00 0.74 C ATOM 603 CD PRO A 43 -14.212 -8.868 -7.959 1.00 0.66 C ATOM 0 HA PRO A 43 -15.456 -10.902 -5.642 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.522 -8.137 -5.127 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.100 -9.113 -4.818 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -14.457 -7.063 -6.820 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.001 -7.960 -6.435 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.891 -8.381 -8.659 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.260 -8.994 -8.474 1.00 0.66 H new ATOM 611 N THR A 44 -17.792 -10.265 -5.633 1.00 0.58 N ATOM 612 CA THR A 44 -19.215 -10.027 -5.724 1.00 0.58 C ATOM 613 C THR A 44 -19.617 -8.908 -4.764 1.00 0.52 C ATOM 614 O THR A 44 -18.764 -8.317 -4.102 1.00 0.49 O ATOM 615 CB THR A 44 -20.038 -11.300 -5.433 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.309 -12.186 -4.576 1.00 0.91 O ATOM 617 CG2 THR A 44 -20.401 -12.021 -6.723 1.00 1.04 C ATOM 0 H THR A 44 -17.513 -10.888 -4.875 1.00 0.58 H new ATOM 0 HA THR A 44 -19.434 -9.727 -6.749 1.00 0.58 H new ATOM 0 HB THR A 44 -20.957 -10.994 -4.933 1.00 0.67 H new ATOM 0 HG1 THR A 44 -19.169 -11.758 -3.706 1.00 0.91 H new ATOM 0 HG21 THR A 44 -20.981 -12.914 -6.490 1.00 1.04 H new ATOM 0 HG22 THR A 44 -20.993 -11.359 -7.355 1.00 1.04 H new ATOM 0 HG23 THR A 44 -19.490 -12.307 -7.249 1.00 1.04 H new ATOM 625 N GLU A 45 -20.905 -8.632 -4.710 1.00 0.53 N ATOM 626 CA GLU A 45 -21.463 -7.578 -3.856 1.00 0.54 C ATOM 627 C GLU A 45 -20.977 -7.630 -2.403 1.00 0.50 C ATOM 628 O GLU A 45 -20.877 -6.594 -1.744 1.00 0.54 O ATOM 629 CB GLU A 45 -22.976 -7.664 -3.877 1.00 0.62 C ATOM 630 CG GLU A 45 -23.637 -6.501 -4.588 1.00 0.97 C ATOM 631 CD GLU A 45 -25.129 -6.494 -4.368 1.00 1.50 C ATOM 632 OE1 GLU A 45 -25.573 -5.983 -3.315 1.00 1.89 O ATOM 633 OE2 GLU A 45 -25.861 -7.010 -5.242 1.00 2.18 O ATOM 0 H GLU A 45 -21.606 -9.131 -5.257 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.111 -6.632 -4.267 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.273 -8.593 -4.364 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.344 -7.710 -2.852 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.211 -5.564 -4.229 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -23.426 -6.559 -5.656 1.00 0.97 H new ATOM 640 N ALA A 46 -20.674 -8.816 -1.896 1.00 0.51 N ATOM 641 CA ALA A 46 -20.220 -8.953 -0.517 1.00 0.54 C ATOM 642 C ALA A 46 -18.819 -8.368 -0.354 1.00 0.50 C ATOM 643 O ALA A 46 -18.545 -7.616 0.581 1.00 0.51 O ATOM 644 CB ALA A 46 -20.253 -10.412 -0.090 1.00 0.63 C ATOM 0 H ALA A 46 -20.733 -9.693 -2.414 1.00 0.51 H new ATOM 0 HA ALA A 46 -20.897 -8.394 0.129 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -19.911 -10.497 0.942 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.272 -10.791 -0.167 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -19.599 -10.996 -0.738 1.00 0.63 H new ATOM 650 N GLU A 47 -17.958 -8.690 -1.304 1.00 0.49 N ATOM 651 CA GLU A 47 -16.582 -8.214 -1.296 1.00 0.51 C ATOM 652 C GLU A 47 -16.543 -6.753 -1.731 1.00 0.49 C ATOM 653 O GLU A 47 -15.756 -5.961 -1.208 1.00 0.51 O ATOM 654 CB GLU A 47 -15.698 -9.050 -2.223 1.00 0.56 C ATOM 655 CG GLU A 47 -15.797 -10.550 -2.004 1.00 0.73 C ATOM 656 CD GLU A 47 -16.863 -11.196 -2.864 1.00 0.95 C ATOM 657 OE1 GLU A 47 -18.065 -10.975 -2.614 1.00 1.57 O ATOM 658 OE2 GLU A 47 -16.500 -11.914 -3.813 1.00 1.28 O ATOM 0 H GLU A 47 -18.189 -9.285 -2.099 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.196 -8.310 -0.281 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -15.965 -8.828 -3.256 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -14.661 -8.744 -2.089 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -14.833 -11.009 -2.221 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -16.014 -10.746 -0.954 1.00 0.73 H new ATOM 665 N LEU A 48 -17.386 -6.409 -2.708 1.00 0.47 N ATOM 666 CA LEU A 48 -17.467 -5.041 -3.204 1.00 0.50 C ATOM 667 C LEU A 48 -17.783 -4.062 -2.076 1.00 0.48 C ATOM 668 O LEU A 48 -17.292 -2.941 -2.079 1.00 0.53 O ATOM 669 CB LEU A 48 -18.523 -4.919 -4.306 1.00 0.53 C ATOM 670 CG LEU A 48 -18.122 -5.475 -5.682 1.00 0.57 C ATOM 671 CD1 LEU A 48 -19.269 -5.318 -6.673 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.875 -4.774 -6.207 1.00 0.62 C ATOM 0 H LEU A 48 -18.020 -7.062 -3.168 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.492 -4.789 -3.621 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.426 -5.433 -3.976 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.780 -3.866 -4.422 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.898 -6.536 -5.568 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.969 -5.716 -7.642 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -20.140 -5.863 -6.310 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.519 -4.262 -6.776 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.610 -5.184 -7.182 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -17.071 -3.706 -6.304 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -16.050 -4.930 -5.512 1.00 0.62 H new ATOM 684 N GLN A 49 -18.574 -4.505 -1.110 1.00 0.48 N ATOM 685 CA GLN A 49 -18.934 -3.649 0.014 1.00 0.50 C ATOM 686 C GLN A 49 -17.903 -3.796 1.123 1.00 0.49 C ATOM 687 O GLN A 49 -17.647 -2.859 1.879 1.00 0.49 O ATOM 688 CB GLN A 49 -20.336 -3.979 0.529 1.00 0.57 C ATOM 689 CG GLN A 49 -20.819 -3.039 1.620 1.00 0.73 C ATOM 690 CD GLN A 49 -21.045 -1.625 1.120 1.00 0.98 C ATOM 691 OE1 GLN A 49 -20.124 -0.814 1.085 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.275 -1.315 0.748 1.00 1.26 N ATOM 0 H GLN A 49 -18.976 -5.442 -1.080 1.00 0.48 H new ATOM 0 HA GLN A 49 -18.943 -2.613 -0.325 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.038 -3.946 -0.305 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.343 -5.000 0.911 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -21.748 -3.424 2.040 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -20.088 -3.021 2.428 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -23.013 -2.017 0.792 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.486 -0.373 0.417 1.00 1.26 H new ATOM 701 N ASP A 50 -17.298 -4.982 1.207 1.00 0.50 N ATOM 702 CA ASP A 50 -16.268 -5.244 2.209 1.00 0.53 C ATOM 703 C ASP A 50 -15.132 -4.254 2.015 1.00 0.50 C ATOM 704 O ASP A 50 -14.599 -3.689 2.971 1.00 0.53 O ATOM 705 CB ASP A 50 -15.733 -6.675 2.094 1.00 0.58 C ATOM 706 CG ASP A 50 -14.545 -6.926 3.005 1.00 0.81 C ATOM 707 OD1 ASP A 50 -14.760 -7.186 4.211 1.00 0.90 O ATOM 708 OD2 ASP A 50 -13.397 -6.873 2.525 1.00 1.38 O ATOM 0 H ASP A 50 -17.503 -5.772 0.595 1.00 0.50 H new ATOM 0 HA ASP A 50 -16.705 -5.129 3.201 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -16.529 -7.378 2.339 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.442 -6.869 1.062 1.00 0.58 H new ATOM 713 N MET A 51 -14.776 -4.049 0.754 1.00 0.47 N ATOM 714 CA MET A 51 -13.736 -3.111 0.382 1.00 0.47 C ATOM 715 C MET A 51 -14.074 -1.714 0.876 1.00 0.44 C ATOM 716 O MET A 51 -13.254 -1.048 1.516 1.00 0.46 O ATOM 717 CB MET A 51 -13.571 -3.089 -1.140 1.00 0.49 C ATOM 718 CG MET A 51 -12.802 -4.271 -1.697 1.00 0.54 C ATOM 719 SD MET A 51 -11.062 -4.244 -1.236 1.00 0.88 S ATOM 720 CE MET A 51 -10.473 -5.705 -2.085 1.00 1.38 C ATOM 0 H MET A 51 -15.203 -4.531 -0.037 1.00 0.47 H new ATOM 0 HA MET A 51 -12.803 -3.432 0.844 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.558 -3.062 -1.601 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.060 -2.170 -1.426 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.255 -5.196 -1.339 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.886 -4.275 -2.784 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.662 -6.156 -1.513 1.00 1.38 H new ATOM 0 HE2 MET A 51 -11.289 -6.421 -2.185 1.00 1.38 H new ATOM 0 HE3 MET A 51 -10.109 -5.429 -3.075 1.00 1.38 H new ATOM 730 N ILE A 52 -15.281 -1.268 0.558 1.00 0.42 N ATOM 731 CA ILE A 52 -15.753 0.053 0.958 1.00 0.43 C ATOM 732 C ILE A 52 -15.776 0.208 2.485 1.00 0.46 C ATOM 733 O ILE A 52 -15.476 1.285 2.997 1.00 0.46 O ATOM 734 CB ILE A 52 -17.170 0.347 0.388 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.214 0.097 -1.126 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.602 1.776 0.692 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.205 0.904 -1.920 1.00 0.48 C ATOM 0 H ILE A 52 -15.958 -1.807 0.019 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.048 0.774 0.544 1.00 0.43 H new ATOM 0 HB ILE A 52 -17.866 -0.335 0.877 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -17.042 -0.963 -1.313 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.215 0.327 -1.492 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.596 1.951 0.281 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.624 1.928 1.771 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.895 2.473 0.242 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -16.303 0.668 -2.980 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.388 1.968 -1.767 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.197 0.657 -1.585 1.00 0.48 H new ATOM 749 N ASN A 53 -16.098 -0.873 3.192 1.00 0.52 N ATOM 750 CA ASN A 53 -16.158 -0.874 4.659 1.00 0.59 C ATOM 751 C ASN A 53 -14.862 -0.361 5.305 1.00 0.61 C ATOM 752 O ASN A 53 -14.905 0.314 6.332 1.00 0.66 O ATOM 753 CB ASN A 53 -16.463 -2.285 5.181 1.00 0.68 C ATOM 754 CG ASN A 53 -16.380 -2.384 6.700 1.00 1.02 C ATOM 755 OD1 ASN A 53 -17.331 -2.068 7.410 1.00 1.29 O ATOM 756 ND2 ASN A 53 -15.240 -2.839 7.203 1.00 1.40 N ATOM 0 H ASN A 53 -16.325 -1.773 2.769 1.00 0.52 H new ATOM 0 HA ASN A 53 -16.960 -0.190 4.938 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -17.461 -2.580 4.856 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -15.762 -2.991 4.737 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -15.131 -2.937 8.212 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -14.473 -3.091 6.580 1.00 1.40 H new ATOM 763 N GLU A 54 -13.717 -0.681 4.709 1.00 0.61 N ATOM 764 CA GLU A 54 -12.425 -0.235 5.262 1.00 0.66 C ATOM 765 C GLU A 54 -12.358 1.290 5.303 1.00 0.61 C ATOM 766 O GLU A 54 -11.719 1.880 6.174 1.00 0.71 O ATOM 767 CB GLU A 54 -11.245 -0.786 4.444 1.00 0.73 C ATOM 768 CG GLU A 54 -10.184 -1.507 5.286 1.00 1.31 C ATOM 769 CD GLU A 54 -9.351 -0.572 6.150 1.00 2.20 C ATOM 770 OE1 GLU A 54 -9.847 -0.132 7.206 1.00 2.84 O ATOM 771 OE2 GLU A 54 -8.188 -0.305 5.789 1.00 2.70 O ATOM 0 H GLU A 54 -13.648 -1.238 3.857 1.00 0.61 H new ATOM 0 HA GLU A 54 -12.350 -0.625 6.277 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -11.628 -1.476 3.692 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -10.772 0.037 3.909 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -10.677 -2.238 5.927 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -9.521 -2.061 4.622 1.00 1.31 H new ATOM 778 N VAL A 55 -13.041 1.921 4.366 1.00 0.51 N ATOM 779 CA VAL A 55 -13.067 3.372 4.286 1.00 0.47 C ATOM 780 C VAL A 55 -14.301 3.934 4.990 1.00 0.44 C ATOM 781 O VAL A 55 -14.200 4.841 5.821 1.00 0.51 O ATOM 782 CB VAL A 55 -13.078 3.851 2.821 1.00 0.49 C ATOM 783 CG1 VAL A 55 -13.035 5.368 2.756 1.00 0.82 C ATOM 784 CG2 VAL A 55 -11.915 3.242 2.046 1.00 0.59 C ATOM 0 H VAL A 55 -13.588 1.450 3.646 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.164 3.734 4.778 1.00 0.47 H new ATOM 0 HB VAL A 55 -14.006 3.516 2.357 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -13.043 5.688 1.714 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.905 5.779 3.269 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.126 5.727 3.238 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.942 3.593 1.014 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -10.974 3.542 2.507 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -11.997 2.155 2.062 1.00 0.59 H new ATOM 794 N ASP A 56 -15.454 3.368 4.653 1.00 0.48 N ATOM 795 CA ASP A 56 -16.735 3.798 5.203 1.00 0.47 C ATOM 796 C ASP A 56 -16.761 3.686 6.720 1.00 0.50 C ATOM 797 O ASP A 56 -16.504 2.624 7.288 1.00 0.55 O ATOM 798 CB ASP A 56 -17.877 2.977 4.596 1.00 0.48 C ATOM 799 CG ASP A 56 -19.197 3.720 4.600 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.380 4.619 3.744 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.068 3.411 5.436 1.00 0.53 O ATOM 0 H ASP A 56 -15.528 2.597 3.990 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.869 4.848 4.943 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.620 2.706 3.572 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -17.987 2.047 5.154 1.00 0.48 H new ATOM 806 N ALA A 57 -17.064 4.793 7.367 1.00 0.55 N ATOM 807 CA ALA A 57 -17.128 4.845 8.813 1.00 0.60 C ATOM 808 C ALA A 57 -18.420 5.517 9.258 1.00 0.62 C ATOM 809 O ALA A 57 -18.754 5.526 10.443 1.00 0.67 O ATOM 810 CB ALA A 57 -15.915 5.582 9.362 1.00 0.68 C ATOM 0 H ALA A 57 -17.272 5.679 6.907 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.120 3.829 9.207 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -15.972 5.616 10.450 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.006 5.061 9.062 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -15.897 6.598 8.968 1.00 0.68 H new ATOM 816 N ASP A 58 -19.145 6.074 8.293 1.00 0.60 N ATOM 817 CA ASP A 58 -20.405 6.751 8.570 1.00 0.65 C ATOM 818 C ASP A 58 -21.572 5.770 8.503 1.00 0.66 C ATOM 819 O ASP A 58 -22.639 6.023 9.058 1.00 0.73 O ATOM 820 CB ASP A 58 -20.621 7.923 7.591 1.00 0.66 C ATOM 821 CG ASP A 58 -21.410 7.553 6.342 1.00 0.64 C ATOM 822 OD1 ASP A 58 -20.845 6.885 5.442 1.00 0.61 O ATOM 823 OD2 ASP A 58 -22.590 7.957 6.244 1.00 0.74 O ATOM 0 H ASP A 58 -18.879 6.069 7.308 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.359 7.156 9.581 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.142 8.726 8.112 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.649 8.315 7.291 1.00 0.66 H new ATOM 828 N GLY A 59 -21.361 4.643 7.837 1.00 0.62 N ATOM 829 CA GLY A 59 -22.404 3.647 7.728 1.00 0.64 C ATOM 830 C GLY A 59 -23.326 3.927 6.568 1.00 0.67 C ATOM 831 O GLY A 59 -24.542 4.007 6.737 1.00 0.90 O ATOM 0 H GLY A 59 -20.486 4.402 7.371 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -21.954 2.662 7.605 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -22.980 3.622 8.653 1.00 0.64 H new ATOM 835 N ASN A 60 -22.750 4.098 5.387 1.00 0.57 N ATOM 836 CA ASN A 60 -23.544 4.373 4.197 1.00 0.58 C ATOM 837 C ASN A 60 -23.154 3.436 3.056 1.00 0.55 C ATOM 838 O ASN A 60 -24.008 2.993 2.289 1.00 0.60 O ATOM 839 CB ASN A 60 -23.406 5.853 3.781 1.00 0.59 C ATOM 840 CG ASN A 60 -22.617 6.059 2.497 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.400 6.276 2.526 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.304 5.996 1.365 1.00 0.58 N ATOM 0 H ASN A 60 -21.744 4.052 5.227 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.592 4.189 4.432 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.401 6.280 3.657 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.921 6.403 4.587 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.829 6.129 0.472 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.308 5.815 1.387 1.00 0.58 H new ATOM 849 N GLY A 61 -21.870 3.126 2.955 1.00 0.51 N ATOM 850 CA GLY A 61 -21.410 2.241 1.903 1.00 0.51 C ATOM 851 C GLY A 61 -20.901 2.998 0.693 1.00 0.49 C ATOM 852 O GLY A 61 -21.161 2.613 -0.448 1.00 0.52 O ATOM 0 H GLY A 61 -21.140 3.469 3.580 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.615 1.603 2.290 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.226 1.585 1.601 1.00 0.51 H new ATOM 856 N THR A 62 -20.193 4.093 0.936 1.00 0.46 N ATOM 857 CA THR A 62 -19.639 4.899 -0.143 1.00 0.45 C ATOM 858 C THR A 62 -18.420 5.682 0.334 1.00 0.42 C ATOM 859 O THR A 62 -18.437 6.282 1.415 1.00 0.45 O ATOM 860 CB THR A 62 -20.677 5.892 -0.720 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.907 5.216 -1.017 1.00 0.57 O ATOM 862 CG2 THR A 62 -20.146 6.550 -1.982 1.00 0.57 C ATOM 0 H THR A 62 -19.989 4.444 1.872 1.00 0.46 H new ATOM 0 HA THR A 62 -19.348 4.204 -0.930 1.00 0.45 H new ATOM 0 HB THR A 62 -20.861 6.660 0.032 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.495 5.814 -1.523 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.891 7.244 -2.371 1.00 0.57 H new ATOM 0 HG22 THR A 62 -19.230 7.093 -1.751 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.936 5.786 -2.730 1.00 0.57 H new ATOM 870 N ILE A 63 -17.361 5.649 -0.472 1.00 0.40 N ATOM 871 CA ILE A 63 -16.132 6.371 -0.174 1.00 0.37 C ATOM 872 C ILE A 63 -16.353 7.856 -0.461 1.00 0.40 C ATOM 873 O ILE A 63 -16.311 8.294 -1.612 1.00 0.44 O ATOM 874 CB ILE A 63 -14.945 5.800 -1.007 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.629 4.372 -0.550 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.699 6.672 -0.922 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.485 3.716 -1.298 1.00 0.46 C ATOM 0 H ILE A 63 -17.333 5.123 -1.345 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.874 6.247 0.878 1.00 0.37 H new ATOM 0 HB ILE A 63 -15.254 5.792 -2.052 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.391 4.388 0.513 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.523 3.759 -0.667 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.903 6.228 -1.520 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.926 7.668 -1.301 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.375 6.744 0.116 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.328 2.709 -0.912 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.727 3.664 -2.360 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.577 4.303 -1.161 1.00 0.46 H new ATOM 889 N ASP A 64 -16.637 8.608 0.595 1.00 0.41 N ATOM 890 CA ASP A 64 -16.916 10.037 0.479 1.00 0.45 C ATOM 891 C ASP A 64 -15.731 10.892 0.918 1.00 0.45 C ATOM 892 O ASP A 64 -14.695 10.374 1.333 1.00 0.42 O ATOM 893 CB ASP A 64 -18.164 10.404 1.291 1.00 0.49 C ATOM 894 CG ASP A 64 -18.129 9.873 2.717 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.327 10.377 3.527 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.912 8.938 3.030 1.00 0.52 O ATOM 0 H ASP A 64 -16.681 8.250 1.549 1.00 0.41 H new ATOM 0 HA ASP A 64 -17.097 10.247 -0.575 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.267 11.489 1.317 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -19.047 10.012 0.786 1.00 0.49 H new ATOM 901 N PHE A 65 -15.903 12.214 0.819 1.00 0.51 N ATOM 902 CA PHE A 65 -14.855 13.173 1.174 1.00 0.54 C ATOM 903 C PHE A 65 -14.541 13.181 2.682 1.00 0.54 C ATOM 904 O PHE A 65 -13.368 13.155 3.055 1.00 0.54 O ATOM 905 CB PHE A 65 -15.226 14.581 0.686 1.00 0.61 C ATOM 906 CG PHE A 65 -14.121 15.582 0.866 1.00 0.74 C ATOM 907 CD1 PHE A 65 -13.005 15.548 0.044 1.00 0.83 C ATOM 908 CD2 PHE A 65 -14.198 16.554 1.854 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.981 16.457 0.209 1.00 1.04 C ATOM 910 CE2 PHE A 65 -13.173 17.466 2.026 1.00 1.15 C ATOM 911 CZ PHE A 65 -12.064 17.419 1.198 1.00 1.15 C ATOM 0 H PHE A 65 -16.767 12.646 0.493 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.945 12.850 0.668 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.495 14.533 -0.369 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -16.109 14.924 1.225 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.937 14.802 -0.734 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -15.067 16.598 2.494 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -11.114 16.417 -0.434 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -13.237 18.213 2.804 1.00 1.15 H new ATOM 0 HZ PHE A 65 -11.264 18.134 1.325 1.00 1.15 H new ATOM 921 N PRO A 66 -15.556 13.263 3.577 1.00 0.55 N ATOM 922 CA PRO A 66 -15.314 13.255 5.028 1.00 0.56 C ATOM 923 C PRO A 66 -14.460 12.066 5.474 1.00 0.50 C ATOM 924 O PRO A 66 -13.425 12.244 6.122 1.00 0.52 O ATOM 925 CB PRO A 66 -16.716 13.162 5.629 1.00 0.59 C ATOM 926 CG PRO A 66 -17.620 13.730 4.598 1.00 0.63 C ATOM 927 CD PRO A 66 -16.994 13.417 3.267 1.00 0.58 C ATOM 0 HA PRO A 66 -14.759 14.137 5.348 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.979 12.129 5.857 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.782 13.721 6.562 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.616 13.293 4.671 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.733 14.806 4.731 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.409 12.507 2.835 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -17.164 14.218 2.547 1.00 0.58 H new ATOM 935 N GLU A 67 -14.886 10.854 5.116 1.00 0.46 N ATOM 936 CA GLU A 67 -14.139 9.655 5.482 1.00 0.43 C ATOM 937 C GLU A 67 -12.786 9.635 4.803 1.00 0.43 C ATOM 938 O GLU A 67 -11.834 9.104 5.351 1.00 0.44 O ATOM 939 CB GLU A 67 -14.900 8.392 5.100 1.00 0.41 C ATOM 940 CG GLU A 67 -16.172 8.186 5.895 1.00 0.43 C ATOM 941 CD GLU A 67 -17.137 7.248 5.206 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.994 6.999 3.994 1.00 0.39 O ATOM 943 OE2 GLU A 67 -18.076 6.765 5.860 1.00 0.51 O ATOM 0 H GLU A 67 -15.735 10.679 4.579 1.00 0.46 H new ATOM 0 HA GLU A 67 -14.005 9.679 6.563 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.147 8.434 4.039 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.249 7.529 5.242 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.922 7.788 6.878 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.657 9.149 6.055 1.00 0.43 H new ATOM 950 N PHE A 68 -12.705 10.276 3.652 1.00 0.44 N ATOM 951 CA PHE A 68 -11.463 10.311 2.876 1.00 0.46 C ATOM 952 C PHE A 68 -10.361 10.983 3.688 1.00 0.48 C ATOM 953 O PHE A 68 -9.189 10.603 3.601 1.00 0.48 O ATOM 954 CB PHE A 68 -11.665 11.043 1.550 1.00 0.50 C ATOM 955 CG PHE A 68 -10.771 10.552 0.449 1.00 0.73 C ATOM 956 CD1 PHE A 68 -9.480 11.040 0.307 1.00 1.02 C ATOM 957 CD2 PHE A 68 -11.227 9.602 -0.453 1.00 0.94 C ATOM 958 CE1 PHE A 68 -8.662 10.585 -0.710 1.00 1.34 C ATOM 959 CE2 PHE A 68 -10.413 9.148 -1.471 1.00 1.29 C ATOM 960 CZ PHE A 68 -9.131 9.641 -1.600 1.00 1.44 C ATOM 0 H PHE A 68 -13.482 10.783 3.227 1.00 0.44 H new ATOM 0 HA PHE A 68 -11.168 9.285 2.653 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.704 10.933 1.239 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.488 12.108 1.702 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -9.110 11.783 0.998 1.00 1.02 H new ATOM 0 HD2 PHE A 68 -12.230 9.213 -0.358 1.00 0.94 H new ATOM 0 HE1 PHE A 68 -7.657 10.968 -0.808 1.00 1.34 H new ATOM 0 HE2 PHE A 68 -10.779 8.407 -2.166 1.00 1.29 H new ATOM 0 HZ PHE A 68 -8.494 9.288 -2.398 1.00 1.44 H new ATOM 970 N LEU A 69 -10.738 11.972 4.488 1.00 0.52 N ATOM 971 CA LEU A 69 -9.777 12.685 5.319 1.00 0.56 C ATOM 972 C LEU A 69 -9.203 11.758 6.386 1.00 0.51 C ATOM 973 O LEU A 69 -7.987 11.578 6.476 1.00 0.50 O ATOM 974 CB LEU A 69 -10.432 13.896 5.990 1.00 0.66 C ATOM 975 CG LEU A 69 -11.116 14.873 5.038 1.00 0.75 C ATOM 976 CD1 LEU A 69 -12.114 15.738 5.792 1.00 0.89 C ATOM 977 CD2 LEU A 69 -10.084 15.739 4.337 1.00 0.82 C ATOM 0 H LEU A 69 -11.700 12.298 4.579 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.969 13.033 4.675 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -11.168 13.539 6.710 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.671 14.435 6.554 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.657 14.301 4.284 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -12.593 16.429 5.099 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.871 15.103 6.252 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -11.594 16.303 6.566 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -10.588 16.430 3.661 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -9.518 16.303 5.078 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -9.404 15.106 3.767 1.00 0.82 H new ATOM 989 N THR A 70 -10.088 11.156 7.175 1.00 0.52 N ATOM 990 CA THR A 70 -9.670 10.255 8.243 1.00 0.54 C ATOM 991 C THR A 70 -9.014 9.004 7.668 1.00 0.47 C ATOM 992 O THR A 70 -8.020 8.507 8.201 1.00 0.53 O ATOM 993 CB THR A 70 -10.865 9.842 9.117 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.811 10.916 9.183 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.405 9.475 10.519 1.00 0.74 C ATOM 0 H THR A 70 -11.098 11.276 7.095 1.00 0.52 H new ATOM 0 HA THR A 70 -8.948 10.792 8.859 1.00 0.54 H new ATOM 0 HB THR A 70 -11.337 8.968 8.668 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.572 10.648 9.740 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.267 9.186 11.121 1.00 0.74 H new ATOM 0 HG22 THR A 70 -9.704 8.642 10.466 1.00 0.74 H new ATOM 0 HG23 THR A 70 -9.914 10.334 10.977 1.00 0.74 H new ATOM 1003 N MET A 71 -9.581 8.526 6.573 1.00 0.42 N ATOM 1004 CA MET A 71 -9.099 7.344 5.882 1.00 0.43 C ATOM 1005 C MET A 71 -7.651 7.514 5.458 1.00 0.39 C ATOM 1006 O MET A 71 -6.790 6.682 5.756 1.00 0.41 O ATOM 1007 CB MET A 71 -9.962 7.103 4.641 1.00 0.51 C ATOM 1008 CG MET A 71 -9.577 5.871 3.868 1.00 0.71 C ATOM 1009 SD MET A 71 -9.720 6.076 2.080 1.00 0.69 S ATOM 1010 CE MET A 71 -8.509 7.359 1.774 1.00 0.68 C ATOM 0 H MET A 71 -10.397 8.953 6.135 1.00 0.42 H new ATOM 0 HA MET A 71 -9.163 6.494 6.561 1.00 0.43 H new ATOM 0 HB2 MET A 71 -11.005 7.019 4.945 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.890 7.970 3.985 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.550 5.602 4.115 1.00 0.71 H new ATOM 0 HG3 MET A 71 -10.209 5.041 4.183 1.00 0.71 H new ATOM 0 HE1 MET A 71 -8.107 7.247 0.767 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.982 8.336 1.869 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.699 7.276 2.499 1.00 0.68 H new ATOM 1020 N MET A 72 -7.385 8.621 4.784 1.00 0.38 N ATOM 1021 CA MET A 72 -6.059 8.916 4.288 1.00 0.40 C ATOM 1022 C MET A 72 -5.094 9.167 5.438 1.00 0.42 C ATOM 1023 O MET A 72 -3.948 8.738 5.389 1.00 0.45 O ATOM 1024 CB MET A 72 -6.105 10.122 3.344 1.00 0.43 C ATOM 1025 CG MET A 72 -5.257 9.948 2.093 1.00 0.58 C ATOM 1026 SD MET A 72 -3.492 9.984 2.437 1.00 1.18 S ATOM 1027 CE MET A 72 -3.280 11.694 2.899 1.00 1.69 C ATOM 0 H MET A 72 -8.081 9.335 4.568 1.00 0.38 H new ATOM 0 HA MET A 72 -5.697 8.052 3.731 1.00 0.40 H new ATOM 0 HB2 MET A 72 -7.139 10.304 3.050 1.00 0.43 H new ATOM 0 HB3 MET A 72 -5.767 11.007 3.882 1.00 0.43 H new ATOM 0 HG2 MET A 72 -5.510 9.001 1.617 1.00 0.58 H new ATOM 0 HG3 MET A 72 -5.500 10.738 1.382 1.00 0.58 H new ATOM 0 HE1 MET A 72 -2.234 11.976 2.781 1.00 1.69 H new ATOM 0 HE2 MET A 72 -3.899 12.323 2.260 1.00 1.69 H new ATOM 0 HE3 MET A 72 -3.578 11.830 3.939 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.562 9.841 6.473 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.727 10.136 7.639 1.00 0.53 C ATOM 1039 C ALA A 73 -4.206 8.858 8.302 1.00 0.51 C ATOM 1040 O ALA A 73 -3.073 8.816 8.785 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.489 10.993 8.646 1.00 0.63 C ATOM 0 H ALA A 73 -6.516 10.198 6.536 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.862 10.699 7.287 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.850 11.200 9.504 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.782 11.932 8.177 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.380 10.460 8.977 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.027 7.808 8.296 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.649 6.528 8.895 1.00 0.53 C ATOM 1049 C ARG A 74 -3.598 5.808 8.050 1.00 0.53 C ATOM 1050 O ARG A 74 -2.725 5.134 8.583 1.00 0.81 O ATOM 1051 CB ARG A 74 -5.882 5.622 9.052 1.00 0.59 C ATOM 1052 CG ARG A 74 -5.766 4.606 10.187 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.310 3.233 9.790 1.00 1.02 C ATOM 1054 NE ARG A 74 -7.727 3.263 9.421 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.383 2.224 8.890 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -7.767 1.067 8.683 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -9.662 2.342 8.565 1.00 1.44 N ATOM 0 H ARG A 74 -5.959 7.819 7.882 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.224 6.739 9.876 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.759 6.246 9.225 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.050 5.089 8.116 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -4.721 4.510 10.481 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.310 4.973 11.058 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -5.730 2.847 8.952 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.171 2.540 10.619 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.245 4.127 9.578 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -6.783 0.962 8.929 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.278 0.283 8.278 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.148 3.225 8.719 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.161 1.549 8.160 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.684 5.962 6.732 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.750 5.298 5.828 1.00 0.47 C ATOM 1073 C LYS A 75 -1.684 6.263 5.308 1.00 0.56 C ATOM 1074 O LYS A 75 -0.935 5.938 4.389 1.00 0.78 O ATOM 1075 CB LYS A 75 -3.524 4.635 4.673 1.00 0.52 C ATOM 1076 CG LYS A 75 -3.841 3.164 4.930 1.00 0.72 C ATOM 1077 CD LYS A 75 -4.512 2.953 6.280 1.00 0.79 C ATOM 1078 CE LYS A 75 -5.874 2.294 6.148 1.00 0.86 C ATOM 1079 NZ LYS A 75 -5.784 0.820 6.009 1.00 0.83 N ATOM 0 H LYS A 75 -4.387 6.537 6.268 1.00 0.42 H new ATOM 0 HA LYS A 75 -2.223 4.523 6.385 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -4.455 5.178 4.509 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.940 4.720 3.757 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -4.491 2.790 4.139 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -2.920 2.582 4.888 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -3.871 2.336 6.910 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -4.623 3.914 6.783 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -6.477 2.536 7.023 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -6.390 2.706 5.281 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -6.713 0.440 5.737 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -5.085 0.582 5.277 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -5.491 0.403 6.916 1.00 0.83 H new ATOM 1093 N MET A 76 -1.608 7.442 5.916 1.00 0.58 N ATOM 1094 CA MET A 76 -0.623 8.446 5.526 1.00 0.72 C ATOM 1095 C MET A 76 0.705 8.157 6.204 1.00 0.71 C ATOM 1096 O MET A 76 1.733 7.975 5.553 1.00 0.80 O ATOM 1097 CB MET A 76 -1.086 9.854 5.909 1.00 0.92 C ATOM 1098 CG MET A 76 -0.162 10.955 5.405 1.00 1.20 C ATOM 1099 SD MET A 76 -0.133 12.403 6.484 1.00 1.55 S ATOM 1100 CE MET A 76 -1.770 13.071 6.206 1.00 1.68 C ATOM 0 H MET A 76 -2.218 7.727 6.682 1.00 0.58 H new ATOM 0 HA MET A 76 -0.507 8.399 4.443 1.00 0.72 H new ATOM 0 HB2 MET A 76 -2.087 10.020 5.511 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.160 9.921 6.994 1.00 0.92 H new ATOM 0 HG2 MET A 76 0.849 10.558 5.312 1.00 1.20 H new ATOM 0 HG3 MET A 76 -0.479 11.259 4.407 1.00 1.20 H new ATOM 0 HE1 MET A 76 -1.810 14.099 6.567 1.00 1.68 H new ATOM 0 HE2 MET A 76 -1.994 13.052 5.139 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.504 12.469 6.742 1.00 1.68 H new ATOM 1110 N LYS A 77 0.678 8.130 7.522 1.00 0.72 N ATOM 1111 CA LYS A 77 1.869 7.848 8.298 1.00 0.86 C ATOM 1112 C LYS A 77 1.581 6.717 9.263 1.00 0.77 C ATOM 1113 O LYS A 77 1.869 6.807 10.461 1.00 0.85 O ATOM 1114 CB LYS A 77 2.351 9.104 9.037 1.00 1.11 C ATOM 1115 CG LYS A 77 2.844 10.198 8.097 1.00 1.32 C ATOM 1116 CD LYS A 77 3.682 11.241 8.820 1.00 1.47 C ATOM 1117 CE LYS A 77 2.843 12.080 9.764 1.00 1.65 C ATOM 1118 NZ LYS A 77 3.680 12.868 10.705 1.00 1.95 N ATOM 0 H LYS A 77 -0.159 8.301 8.079 1.00 0.72 H new ATOM 0 HA LYS A 77 2.672 7.542 7.627 1.00 0.86 H new ATOM 0 HB2 LYS A 77 1.536 9.496 9.645 1.00 1.11 H new ATOM 0 HB3 LYS A 77 3.155 8.830 9.720 1.00 1.11 H new ATOM 0 HG2 LYS A 77 3.435 9.750 7.298 1.00 1.32 H new ATOM 0 HG3 LYS A 77 1.989 10.683 7.627 1.00 1.32 H new ATOM 0 HD2 LYS A 77 4.475 10.746 9.381 1.00 1.47 H new ATOM 0 HD3 LYS A 77 4.166 11.889 8.089 1.00 1.47 H new ATOM 0 HE2 LYS A 77 2.214 12.756 9.185 1.00 1.65 H new ATOM 0 HE3 LYS A 77 2.176 11.430 10.330 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 3.066 13.427 11.332 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 4.262 12.222 11.276 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 4.299 13.508 10.167 1.00 1.95 H new ATOM 1132 N ASP A 78 0.988 5.656 8.722 1.00 0.83 N ATOM 1133 CA ASP A 78 0.642 4.485 9.514 1.00 0.83 C ATOM 1134 C ASP A 78 1.846 3.967 10.271 1.00 0.81 C ATOM 1135 O ASP A 78 2.893 3.676 9.691 1.00 1.06 O ATOM 1136 CB ASP A 78 0.075 3.355 8.657 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.086 2.074 9.463 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -0.520 2.153 10.636 1.00 1.18 O ATOM 1139 OD2 ASP A 78 0.248 0.991 8.936 1.00 1.41 O ATOM 0 H ASP A 78 0.738 5.586 7.736 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.127 4.807 10.217 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -0.891 3.654 8.250 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.735 3.173 7.809 1.00 1.15 H new ATOM 1144 N THR A 79 1.687 3.886 11.571 1.00 0.72 N ATOM 1145 CA THR A 79 2.715 3.401 12.453 1.00 0.95 C ATOM 1146 C THR A 79 2.056 2.582 13.554 1.00 0.92 C ATOM 1147 O THR A 79 2.565 2.454 14.668 1.00 1.10 O ATOM 1148 CB THR A 79 3.535 4.569 13.027 1.00 1.28 C ATOM 1149 OG1 THR A 79 2.697 5.732 13.166 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.706 4.906 12.110 1.00 1.43 C ATOM 0 H THR A 79 0.828 4.159 12.049 1.00 0.72 H new ATOM 0 HA THR A 79 3.412 2.767 11.905 1.00 0.95 H new ATOM 0 HB THR A 79 3.920 4.270 14.002 1.00 1.28 H new ATOM 0 HG1 THR A 79 2.549 6.136 12.285 1.00 1.45 H new ATOM 0 HG21 THR A 79 5.273 5.735 12.534 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.354 4.035 12.012 1.00 1.43 H new ATOM 0 HG23 THR A 79 4.329 5.190 11.127 1.00 1.43 H new ATOM 1158 N ASP A 80 0.889 2.050 13.204 1.00 0.79 N ATOM 1159 CA ASP A 80 0.089 1.211 14.087 1.00 0.83 C ATOM 1160 C ASP A 80 -0.427 0.049 13.259 1.00 0.80 C ATOM 1161 O ASP A 80 -1.464 -0.542 13.563 1.00 1.18 O ATOM 1162 CB ASP A 80 -1.095 1.992 14.670 1.00 1.03 C ATOM 1163 CG ASP A 80 -0.698 2.947 15.774 1.00 1.39 C ATOM 1164 OD1 ASP A 80 -0.390 4.118 15.473 1.00 1.69 O ATOM 1165 OD2 ASP A 80 -0.713 2.537 16.954 1.00 1.78 O ATOM 0 H ASP A 80 0.467 2.192 12.286 1.00 0.79 H new ATOM 0 HA ASP A 80 0.699 0.866 14.922 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -1.580 2.553 13.871 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -1.831 1.287 15.056 1.00 1.03 H new ATOM 1170 N SER A 81 0.341 -0.238 12.209 1.00 0.74 N ATOM 1171 CA SER A 81 0.054 -1.276 11.224 1.00 0.82 C ATOM 1172 C SER A 81 -0.621 -2.519 11.801 1.00 0.75 C ATOM 1173 O SER A 81 0.011 -3.354 12.453 1.00 0.89 O ATOM 1174 CB SER A 81 1.350 -1.661 10.514 1.00 1.10 C ATOM 1175 OG SER A 81 2.068 -0.507 10.113 1.00 1.10 O ATOM 0 H SER A 81 1.208 0.263 12.016 1.00 0.74 H new ATOM 0 HA SER A 81 -0.666 -0.853 10.523 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.967 -2.266 11.178 1.00 1.10 H new ATOM 0 HB3 SER A 81 1.123 -2.275 9.642 1.00 1.10 H new ATOM 0 HG SER A 81 1.477 0.085 9.603 1.00 1.10 H new ATOM 1181 N GLU A 82 -1.919 -2.618 11.548 1.00 0.69 N ATOM 1182 CA GLU A 82 -2.709 -3.750 11.991 1.00 0.76 C ATOM 1183 C GLU A 82 -3.454 -4.345 10.803 1.00 0.64 C ATOM 1184 O GLU A 82 -3.156 -5.455 10.361 1.00 0.78 O ATOM 1185 CB GLU A 82 -3.696 -3.324 13.077 1.00 0.90 C ATOM 1186 CG GLU A 82 -4.456 -4.484 13.690 1.00 1.13 C ATOM 1187 CD GLU A 82 -3.542 -5.477 14.371 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -2.742 -5.061 15.230 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -3.615 -6.680 14.044 1.00 1.72 O ATOM 0 H GLU A 82 -2.449 -1.916 11.031 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.044 -4.504 12.413 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -3.155 -2.798 13.863 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.408 -2.617 12.653 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.176 -4.101 14.414 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -5.026 -4.993 12.912 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.396 -3.585 10.260 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.182 -4.037 9.120 1.00 0.52 C ATOM 1198 C GLU A 83 -4.558 -3.544 7.825 1.00 0.45 C ATOM 1199 O GLU A 83 -4.588 -4.227 6.808 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.621 -3.520 9.218 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.386 -4.055 10.413 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.740 -3.402 10.569 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -9.663 -3.755 9.804 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -8.883 -2.533 11.455 1.00 2.40 O ATOM 0 H GLU A 83 -4.635 -2.650 10.592 1.00 0.53 H new ATOM 0 HA GLU A 83 -5.194 -5.127 9.126 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -6.603 -2.431 9.268 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -7.156 -3.788 8.307 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -7.515 -5.132 10.306 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -6.801 -3.893 11.318 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.991 -2.353 7.889 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.353 -1.713 6.738 1.00 0.46 C ATOM 1213 C GLU A 84 -2.197 -2.549 6.216 1.00 0.41 C ATOM 1214 O GLU A 84 -2.039 -2.715 5.009 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.860 -0.289 7.073 1.00 0.56 C ATOM 1216 CG GLU A 84 -2.839 0.073 8.559 1.00 0.70 C ATOM 1217 CD GLU A 84 -4.206 0.013 9.216 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.115 0.733 8.769 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -4.381 -0.809 10.142 1.00 1.26 O ATOM 0 H GLU A 84 -3.957 -1.795 8.742 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.113 -1.636 5.960 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.852 -0.170 6.675 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -3.495 0.427 6.552 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -2.164 -0.605 9.081 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -2.433 1.078 8.674 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.396 -3.084 7.131 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.270 -3.926 6.749 1.00 0.42 C ATOM 1228 C ILE A 85 -0.786 -5.123 5.952 1.00 0.40 C ATOM 1229 O ILE A 85 -0.200 -5.515 4.944 1.00 0.41 O ATOM 1230 CB ILE A 85 0.550 -4.384 7.995 1.00 0.53 C ATOM 1231 CG1 ILE A 85 2.021 -3.986 7.824 1.00 1.17 C ATOM 1232 CG2 ILE A 85 0.431 -5.889 8.243 1.00 1.38 C ATOM 1233 CD1 ILE A 85 2.898 -4.377 8.995 1.00 1.50 C ATOM 0 H ILE A 85 -1.505 -2.950 8.136 1.00 0.38 H new ATOM 0 HA ILE A 85 0.409 -3.347 6.123 1.00 0.42 H new ATOM 0 HB ILE A 85 0.134 -3.881 8.868 1.00 0.53 H new ATOM 0 HG12 ILE A 85 2.411 -4.451 6.918 1.00 1.17 H new ATOM 0 HG13 ILE A 85 2.082 -2.907 7.680 1.00 1.17 H new ATOM 0 HG21 ILE A 85 1.018 -6.161 9.120 1.00 1.38 H new ATOM 0 HG22 ILE A 85 -0.614 -6.148 8.412 1.00 1.38 H new ATOM 0 HG23 ILE A 85 0.804 -6.432 7.374 1.00 1.38 H new ATOM 0 HD11 ILE A 85 3.924 -4.063 8.802 1.00 1.50 H new ATOM 0 HD12 ILE A 85 2.534 -3.891 9.900 1.00 1.50 H new ATOM 0 HD13 ILE A 85 2.868 -5.459 9.127 1.00 1.50 H new ATOM 1245 N ARG A 86 -1.924 -5.660 6.386 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.535 -6.790 5.720 1.00 0.44 C ATOM 1247 C ARG A 86 -3.180 -6.340 4.420 1.00 0.42 C ATOM 1248 O ARG A 86 -3.049 -6.997 3.392 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.574 -7.444 6.635 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.305 -8.917 6.895 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.170 -9.118 7.888 1.00 1.26 C ATOM 1252 NE ARG A 86 -1.929 -10.536 8.142 1.00 1.63 N ATOM 1253 CZ ARG A 86 -2.042 -11.115 9.336 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.404 -10.414 10.403 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -1.803 -12.414 9.455 1.00 2.57 N ATOM 0 H ARG A 86 -2.438 -5.323 7.200 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.764 -7.526 5.491 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.596 -6.912 7.586 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.562 -7.336 6.187 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.210 -9.390 7.277 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -3.058 -9.413 5.956 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -1.261 -8.656 7.502 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.410 -8.615 8.825 1.00 1.26 H new ATOM 0 HE ARG A 86 -1.656 -11.122 7.353 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -2.600 -9.417 10.316 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -2.486 -10.872 11.311 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -1.535 -12.960 8.636 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -1.887 -12.867 10.365 1.00 2.57 H new ATOM 1269 N GLU A 87 -3.879 -5.208 4.472 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.538 -4.638 3.308 1.00 0.44 C ATOM 1271 C GLU A 87 -3.559 -4.439 2.154 1.00 0.43 C ATOM 1272 O GLU A 87 -3.775 -4.953 1.054 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.211 -3.307 3.705 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.314 -2.281 2.583 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.583 -1.003 2.922 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -5.094 -0.221 3.747 1.00 0.92 O ATOM 1277 OE2 GLU A 87 -3.491 -0.779 2.368 1.00 1.47 O ATOM 0 H GLU A 87 -4.002 -4.663 5.325 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.301 -5.334 2.959 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.213 -3.520 4.076 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.652 -2.866 4.531 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.902 -2.703 1.666 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.363 -2.059 2.389 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.459 -3.724 2.406 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.464 -3.474 1.373 1.00 0.40 C ATOM 1286 C ALA A 88 -0.733 -4.760 0.998 1.00 0.40 C ATOM 1287 O ALA A 88 -0.209 -4.888 -0.109 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.482 -2.403 1.838 1.00 0.41 C ATOM 0 H ALA A 88 -2.240 -3.312 3.313 1.00 0.41 H new ATOM 0 HA ALA A 88 -1.974 -3.111 0.481 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.258 -2.224 1.058 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.022 -1.479 2.045 1.00 0.41 H new ATOM 0 HB3 ALA A 88 0.021 -2.740 2.744 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.732 -5.725 1.911 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.058 -6.995 1.677 1.00 0.41 C ATOM 1296 C PHE A 89 -0.918 -7.856 0.751 1.00 0.43 C ATOM 1297 O PHE A 89 -0.397 -8.538 -0.123 1.00 0.46 O ATOM 1298 CB PHE A 89 0.189 -7.744 2.989 1.00 0.42 C ATOM 1299 CG PHE A 89 1.535 -8.402 3.078 1.00 0.40 C ATOM 1300 CD1 PHE A 89 1.795 -9.595 2.424 1.00 0.63 C ATOM 1301 CD2 PHE A 89 2.544 -7.828 3.836 1.00 0.52 C ATOM 1302 CE1 PHE A 89 3.033 -10.201 2.525 1.00 0.75 C ATOM 1303 CE2 PHE A 89 3.785 -8.431 3.937 1.00 0.64 C ATOM 1304 CZ PHE A 89 4.029 -9.617 3.282 1.00 0.68 C ATOM 0 H PHE A 89 -1.190 -5.651 2.819 1.00 0.39 H new ATOM 0 HA PHE A 89 0.909 -6.793 1.216 1.00 0.41 H new ATOM 0 HB2 PHE A 89 0.083 -7.045 3.819 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.583 -8.504 3.112 1.00 0.42 H new ATOM 0 HD1 PHE A 89 1.022 -10.057 1.828 1.00 0.63 H new ATOM 0 HD2 PHE A 89 2.359 -6.899 4.354 1.00 0.52 H new ATOM 0 HE1 PHE A 89 3.221 -11.132 2.011 1.00 0.75 H new ATOM 0 HE2 PHE A 89 4.562 -7.971 4.530 1.00 0.64 H new ATOM 0 HZ PHE A 89 4.997 -10.089 3.360 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.230 -7.797 0.946 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.159 -8.573 0.144 1.00 0.49 C ATOM 1316 C ARG A 90 -3.262 -8.018 -1.270 1.00 0.47 C ATOM 1317 O ARG A 90 -3.361 -8.774 -2.233 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.548 -8.585 0.787 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.630 -9.370 2.086 1.00 1.06 C ATOM 1320 CD ARG A 90 -6.032 -9.303 2.681 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.063 -9.495 1.664 1.00 1.54 N ATOM 1322 CZ ARG A 90 -8.342 -9.166 1.816 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -8.775 -8.663 2.963 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -9.192 -9.346 0.817 1.00 2.35 N ATOM 0 H ARG A 90 -2.673 -7.216 1.657 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.776 -9.592 0.094 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.856 -7.557 0.978 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.260 -9.005 0.077 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -4.358 -10.410 1.904 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -3.909 -8.973 2.801 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -6.136 -10.066 3.453 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -6.175 -8.337 3.166 1.00 1.28 H new ATOM 0 HE ARG A 90 -6.782 -9.910 0.776 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -8.125 -8.526 3.737 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -9.758 -8.413 3.072 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -8.865 -9.736 -0.067 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -10.174 -9.094 0.931 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.206 -6.693 -1.391 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.314 -6.039 -2.691 1.00 0.43 C ATOM 1340 C VAL A 91 -2.060 -6.312 -3.526 1.00 0.41 C ATOM 1341 O VAL A 91 -2.142 -6.515 -4.738 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.554 -4.510 -2.540 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.555 -3.810 -3.895 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.867 -4.247 -1.818 1.00 0.46 C ATOM 0 H VAL A 91 -3.087 -6.053 -0.605 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.178 -6.456 -3.209 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.733 -4.104 -1.949 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.725 -2.743 -3.753 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.593 -3.962 -4.384 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -4.348 -4.224 -4.518 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -5.020 -3.172 -1.721 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.689 -4.680 -2.388 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.834 -4.700 -0.827 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.900 -6.341 -2.866 1.00 0.42 N ATOM 1355 CA PHE A 92 0.375 -6.599 -3.547 1.00 0.42 C ATOM 1356 C PHE A 92 0.572 -8.091 -3.813 1.00 0.43 C ATOM 1357 O PHE A 92 1.210 -8.478 -4.793 1.00 0.47 O ATOM 1358 CB PHE A 92 1.554 -6.106 -2.701 1.00 0.43 C ATOM 1359 CG PHE A 92 1.797 -4.620 -2.705 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.094 -3.763 -3.542 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.748 -4.084 -1.851 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.348 -2.400 -3.530 1.00 0.42 C ATOM 1363 CE2 PHE A 92 3.005 -2.731 -1.833 1.00 0.43 C ATOM 1364 CZ PHE A 92 2.301 -1.886 -2.668 1.00 0.40 C ATOM 0 H PHE A 92 -0.815 -6.189 -1.861 1.00 0.42 H new ATOM 0 HA PHE A 92 0.341 -6.060 -4.494 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.394 -6.425 -1.671 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.459 -6.603 -3.051 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.343 -4.162 -4.208 1.00 0.42 H new ATOM 0 HD2 PHE A 92 3.296 -4.738 -1.189 1.00 0.39 H new ATOM 0 HE1 PHE A 92 0.804 -1.742 -4.191 1.00 0.42 H new ATOM 0 HE2 PHE A 92 3.756 -2.332 -1.167 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.494 -0.824 -2.648 1.00 0.40 H new ATOM 1374 N ASP A 93 0.028 -8.920 -2.932 1.00 0.44 N ATOM 1375 CA ASP A 93 0.165 -10.371 -3.039 1.00 0.47 C ATOM 1376 C ASP A 93 -1.015 -10.965 -3.795 1.00 0.52 C ATOM 1377 O ASP A 93 -2.007 -11.386 -3.197 1.00 0.80 O ATOM 1378 CB ASP A 93 0.258 -10.979 -1.637 1.00 0.50 C ATOM 1379 CG ASP A 93 0.998 -12.297 -1.598 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.149 -12.357 -2.072 1.00 0.54 O ATOM 1381 OD2 ASP A 93 0.442 -13.279 -1.075 1.00 0.80 O ATOM 0 H ASP A 93 -0.518 -8.611 -2.127 1.00 0.44 H new ATOM 0 HA ASP A 93 1.075 -10.602 -3.593 1.00 0.47 H new ATOM 0 HB2 ASP A 93 0.758 -10.271 -0.975 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.749 -11.125 -1.246 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.893 -11.014 -5.110 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.955 -11.530 -5.954 1.00 0.54 C ATOM 1388 C LYS A 94 -2.004 -13.059 -5.940 1.00 0.56 C ATOM 1389 O LYS A 94 -3.052 -13.648 -6.217 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.789 -11.019 -7.388 1.00 0.60 C ATOM 1391 CG LYS A 94 -3.050 -11.165 -8.225 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.865 -12.178 -9.342 1.00 1.06 C ATOM 1393 CE LYS A 94 -4.198 -12.736 -9.820 1.00 1.31 C ATOM 1394 NZ LYS A 94 -4.976 -13.364 -8.716 1.00 1.70 N ATOM 0 H LYS A 94 -0.065 -10.701 -5.617 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.900 -11.167 -5.550 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.498 -9.969 -7.361 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.976 -11.563 -7.869 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.878 -11.474 -7.586 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.319 -10.198 -8.651 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.346 -11.708 -10.178 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -2.233 -12.994 -8.993 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.786 -11.934 -10.266 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -4.021 -13.474 -10.602 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -5.376 -14.266 -9.043 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -4.349 -13.537 -7.904 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -5.747 -12.727 -8.429 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.884 -13.707 -5.627 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.863 -15.170 -5.594 1.00 0.59 C ATOM 1410 C ASP A 95 -1.369 -15.690 -4.246 1.00 0.60 C ATOM 1411 O ASP A 95 -1.793 -16.842 -4.137 1.00 0.67 O ATOM 1412 CB ASP A 95 0.534 -15.741 -5.918 1.00 0.59 C ATOM 1413 CG ASP A 95 1.638 -15.248 -5.000 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.388 -15.005 -3.809 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.787 -15.074 -5.463 1.00 0.58 O ATOM 0 H ASP A 95 0.002 -13.257 -5.397 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.538 -15.520 -6.375 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.491 -16.829 -5.864 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.790 -15.483 -6.946 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.338 -14.832 -3.233 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.807 -15.213 -1.913 1.00 0.61 C ATOM 1422 C GLY A 96 -0.867 -16.170 -1.200 1.00 0.61 C ATOM 1423 O GLY A 96 -1.310 -16.988 -0.393 1.00 0.72 O ATOM 0 H GLY A 96 -0.995 -13.874 -3.303 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.933 -14.317 -1.306 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.789 -15.677 -2.003 1.00 0.61 H new ATOM 1427 N ASN A 97 0.424 -16.084 -1.495 1.00 0.61 N ATOM 1428 CA ASN A 97 1.399 -16.956 -0.855 1.00 0.62 C ATOM 1429 C ASN A 97 1.999 -16.290 0.382 1.00 0.60 C ATOM 1430 O ASN A 97 2.579 -16.958 1.238 1.00 0.66 O ATOM 1431 CB ASN A 97 2.505 -17.384 -1.832 1.00 0.62 C ATOM 1432 CG ASN A 97 3.640 -16.381 -1.970 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.427 -15.171 -2.091 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.862 -16.880 -1.959 1.00 0.72 N ATOM 0 H ASN A 97 0.817 -15.425 -2.167 1.00 0.61 H new ATOM 0 HA ASN A 97 0.872 -17.856 -0.539 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.917 -18.338 -1.502 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.062 -17.551 -2.814 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.667 -16.260 -2.052 1.00 0.72 H new ATOM 0 HD22 ASN A 97 5.001 -17.885 -1.857 1.00 0.72 H new ATOM 1441 N GLY A 98 1.846 -14.976 0.483 1.00 0.55 N ATOM 1442 CA GLY A 98 2.366 -14.257 1.635 1.00 0.56 C ATOM 1443 C GLY A 98 3.725 -13.632 1.390 1.00 0.53 C ATOM 1444 O GLY A 98 4.327 -13.062 2.302 1.00 0.58 O ATOM 0 H GLY A 98 1.373 -14.395 -0.209 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.660 -13.475 1.915 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.436 -14.942 2.480 1.00 0.56 H new ATOM 1448 N TYR A 99 4.221 -13.742 0.170 1.00 0.53 N ATOM 1449 CA TYR A 99 5.517 -13.168 -0.178 1.00 0.50 C ATOM 1450 C TYR A 99 5.392 -12.277 -1.410 1.00 0.50 C ATOM 1451 O TYR A 99 5.015 -12.744 -2.493 1.00 0.54 O ATOM 1452 CB TYR A 99 6.555 -14.272 -0.411 1.00 0.52 C ATOM 1453 CG TYR A 99 7.537 -14.432 0.733 1.00 0.70 C ATOM 1454 CD1 TYR A 99 7.102 -14.480 2.050 1.00 0.92 C ATOM 1455 CD2 TYR A 99 8.899 -14.525 0.491 1.00 0.91 C ATOM 1456 CE1 TYR A 99 7.999 -14.611 3.094 1.00 1.19 C ATOM 1457 CE2 TYR A 99 9.801 -14.660 1.527 1.00 1.17 C ATOM 1458 CZ TYR A 99 9.348 -14.701 2.827 1.00 1.26 C ATOM 1459 OH TYR A 99 10.246 -14.825 3.863 1.00 1.57 O ATOM 0 H TYR A 99 3.750 -14.222 -0.597 1.00 0.53 H new ATOM 0 HA TYR A 99 5.856 -12.555 0.657 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.038 -15.218 -0.570 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.107 -14.053 -1.325 1.00 0.52 H new ATOM 0 HD1 TYR A 99 6.045 -14.414 2.263 1.00 0.92 H new ATOM 0 HD2 TYR A 99 9.261 -14.491 -0.526 1.00 0.91 H new ATOM 0 HE1 TYR A 99 7.644 -14.643 4.114 1.00 1.19 H new ATOM 0 HE2 TYR A 99 10.858 -14.733 1.319 1.00 1.17 H new ATOM 0 HH TYR A 99 11.156 -14.877 3.503 1.00 1.57 H new ATOM 1469 N ILE A 100 5.689 -10.995 -1.229 1.00 0.49 N ATOM 1470 CA ILE A 100 5.605 -10.009 -2.305 1.00 0.52 C ATOM 1471 C ILE A 100 6.971 -9.802 -2.967 1.00 0.61 C ATOM 1472 O ILE A 100 7.994 -9.752 -2.287 1.00 0.64 O ATOM 1473 CB ILE A 100 5.102 -8.642 -1.773 1.00 0.55 C ATOM 1474 CG1 ILE A 100 3.893 -8.822 -0.846 1.00 0.58 C ATOM 1475 CG2 ILE A 100 4.746 -7.717 -2.929 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.633 -7.625 0.045 1.00 0.69 C ATOM 0 H ILE A 100 5.994 -10.609 -0.336 1.00 0.49 H new ATOM 0 HA ILE A 100 4.897 -10.397 -3.038 1.00 0.52 H new ATOM 0 HB ILE A 100 5.909 -8.189 -1.197 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.007 -9.015 -1.451 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.051 -9.702 -0.222 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.395 -6.763 -2.537 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.628 -7.552 -3.548 1.00 0.60 H new ATOM 0 HG23 ILE A 100 3.960 -8.173 -3.531 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.764 -7.821 0.674 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.504 -7.445 0.675 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.443 -6.747 -0.572 1.00 0.69 H new ATOM 1488 N SER A 101 6.974 -9.688 -4.291 1.00 0.84 N ATOM 1489 CA SER A 101 8.202 -9.468 -5.056 1.00 1.02 C ATOM 1490 C SER A 101 7.878 -8.708 -6.338 1.00 0.95 C ATOM 1491 O SER A 101 6.758 -8.221 -6.498 1.00 0.85 O ATOM 1492 CB SER A 101 8.863 -10.805 -5.391 1.00 1.14 C ATOM 1493 OG SER A 101 7.890 -11.822 -5.567 1.00 1.12 O ATOM 0 H SER A 101 6.132 -9.745 -4.864 1.00 0.84 H new ATOM 0 HA SER A 101 8.895 -8.879 -4.455 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.457 -10.704 -6.299 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.548 -11.087 -4.592 1.00 1.14 H new ATOM 0 HG SER A 101 7.809 -12.343 -4.741 1.00 1.12 H new ATOM 1499 N ALA A 102 8.839 -8.632 -7.265 1.00 1.01 N ATOM 1500 CA ALA A 102 8.636 -7.947 -8.550 1.00 0.98 C ATOM 1501 C ALA A 102 7.712 -8.771 -9.456 1.00 0.86 C ATOM 1502 O ALA A 102 7.523 -8.475 -10.633 1.00 1.30 O ATOM 1503 CB ALA A 102 9.975 -7.699 -9.232 1.00 1.09 C ATOM 0 H ALA A 102 9.768 -9.037 -7.150 1.00 1.01 H new ATOM 0 HA ALA A 102 8.161 -6.984 -8.362 1.00 0.98 H new ATOM 0 HB1 ALA A 102 9.811 -7.191 -10.182 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.600 -7.077 -8.591 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.474 -8.651 -9.411 1.00 1.09 H new ATOM 1509 N ALA A 103 7.151 -9.798 -8.851 1.00 0.56 N ATOM 1510 CA ALA A 103 6.237 -10.704 -9.520 1.00 0.66 C ATOM 1511 C ALA A 103 4.863 -10.056 -9.668 1.00 0.52 C ATOM 1512 O ALA A 103 4.523 -9.512 -10.722 1.00 0.57 O ATOM 1513 CB ALA A 103 6.136 -12.018 -8.759 1.00 0.93 C ATOM 0 H ALA A 103 7.318 -10.030 -7.872 1.00 0.56 H new ATOM 0 HA ALA A 103 6.625 -10.918 -10.516 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.446 -12.685 -9.275 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.120 -12.484 -8.705 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.770 -11.827 -7.750 1.00 0.93 H new ATOM 1519 N GLU A 104 4.087 -10.109 -8.598 1.00 0.45 N ATOM 1520 CA GLU A 104 2.747 -9.537 -8.583 1.00 0.42 C ATOM 1521 C GLU A 104 2.771 -8.018 -8.463 1.00 0.43 C ATOM 1522 O GLU A 104 1.878 -7.337 -8.972 1.00 0.46 O ATOM 1523 CB GLU A 104 1.963 -10.123 -7.417 1.00 0.51 C ATOM 1524 CG GLU A 104 2.206 -11.606 -7.228 1.00 0.49 C ATOM 1525 CD GLU A 104 2.510 -11.965 -5.794 1.00 0.60 C ATOM 1526 OE1 GLU A 104 3.685 -11.902 -5.379 1.00 0.78 O ATOM 1527 OE2 GLU A 104 1.581 -12.343 -5.064 1.00 0.83 O ATOM 0 H GLU A 104 4.364 -10.547 -7.719 1.00 0.45 H new ATOM 0 HA GLU A 104 2.269 -9.786 -9.531 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.234 -9.596 -6.502 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.899 -9.952 -7.579 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.327 -12.160 -7.559 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.037 -11.918 -7.861 1.00 0.49 H new ATOM 1534 N LEU A 105 3.823 -7.489 -7.854 1.00 0.43 N ATOM 1535 CA LEU A 105 3.940 -6.048 -7.647 1.00 0.47 C ATOM 1536 C LEU A 105 3.979 -5.328 -8.988 1.00 0.48 C ATOM 1537 O LEU A 105 3.368 -4.277 -9.170 1.00 0.50 O ATOM 1538 CB LEU A 105 5.206 -5.715 -6.845 1.00 0.50 C ATOM 1539 CG LEU A 105 5.357 -4.242 -6.451 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.143 -3.777 -5.662 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.627 -4.034 -5.645 1.00 0.63 C ATOM 0 H LEU A 105 4.607 -8.033 -7.494 1.00 0.43 H new ATOM 0 HA LEU A 105 3.070 -5.713 -7.082 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.213 -6.320 -5.938 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.077 -6.009 -7.431 1.00 0.50 H new ATOM 0 HG LEU A 105 5.426 -3.646 -7.361 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.266 -2.729 -5.390 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.247 -3.891 -6.272 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.045 -4.378 -4.758 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.718 -2.982 -5.374 1.00 0.63 H new ATOM 0 HD22 LEU A 105 6.587 -4.640 -4.740 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.489 -4.331 -6.242 1.00 0.63 H new ATOM 1553 N ARG A 106 4.688 -5.926 -9.940 1.00 0.49 N ATOM 1554 CA ARG A 106 4.822 -5.359 -11.271 1.00 0.52 C ATOM 1555 C ARG A 106 3.456 -5.189 -11.937 1.00 0.53 C ATOM 1556 O ARG A 106 3.181 -4.157 -12.549 1.00 0.59 O ATOM 1557 CB ARG A 106 5.730 -6.256 -12.116 1.00 0.56 C ATOM 1558 CG ARG A 106 5.956 -5.755 -13.532 1.00 0.82 C ATOM 1559 CD ARG A 106 6.671 -6.800 -14.376 1.00 0.84 C ATOM 1560 NE ARG A 106 8.087 -6.918 -14.030 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.702 -8.062 -13.723 1.00 0.86 C ATOM 1562 NH1 ARG A 106 8.018 -9.193 -13.625 1.00 1.18 N ATOM 1563 NH2 ARG A 106 10.010 -8.069 -13.519 1.00 0.90 N ATOM 0 H ARG A 106 5.181 -6.810 -9.810 1.00 0.49 H new ATOM 0 HA ARG A 106 5.271 -4.369 -11.189 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.695 -6.350 -11.617 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.296 -7.255 -12.161 1.00 0.56 H new ATOM 0 HG2 ARG A 106 4.999 -5.506 -13.990 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.545 -4.838 -13.507 1.00 0.82 H new ATOM 0 HD2 ARG A 106 6.185 -7.766 -14.243 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.577 -6.539 -15.430 1.00 0.84 H new ATOM 0 HE ARG A 106 8.645 -6.064 -14.023 1.00 0.72 H new ATOM 0 HH11 ARG A 106 7.011 -9.195 -13.785 1.00 1.18 H new ATOM 0 HH12 ARG A 106 8.499 -10.061 -13.390 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.543 -7.203 -13.597 1.00 0.90 H new ATOM 0 HH22 ARG A 106 10.485 -8.941 -13.284 1.00 0.90 H new ATOM 1577 N HIS A 107 2.597 -6.191 -11.786 1.00 0.52 N ATOM 1578 CA HIS A 107 1.268 -6.139 -12.389 1.00 0.54 C ATOM 1579 C HIS A 107 0.399 -5.078 -11.720 1.00 0.54 C ATOM 1580 O HIS A 107 -0.310 -4.330 -12.401 1.00 0.59 O ATOM 1581 CB HIS A 107 0.579 -7.508 -12.337 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.771 -7.514 -12.992 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.903 -7.418 -14.357 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -2.003 -7.562 -12.430 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.204 -7.403 -14.592 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.910 -7.489 -13.456 1.00 0.70 N ATOM 0 H HIS A 107 2.793 -7.041 -11.257 1.00 0.52 H new ATOM 0 HA HIS A 107 1.397 -5.863 -13.436 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.215 -8.247 -12.824 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.473 -7.815 -11.297 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.228 -7.642 -11.377 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.643 -7.331 -15.576 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.926 -7.498 -13.371 1.00 0.70 H new ATOM 1594 N VAL A 108 0.447 -4.997 -10.388 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.340 -4.005 -9.659 1.00 0.49 C ATOM 1596 C VAL A 108 0.123 -2.594 -10.026 1.00 0.49 C ATOM 1597 O VAL A 108 -0.688 -1.678 -10.161 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.237 -4.224 -8.133 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.125 -3.252 -7.370 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.601 -5.657 -7.783 1.00 0.53 C ATOM 0 H VAL A 108 1.018 -5.602 -9.798 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.385 -4.122 -9.945 1.00 0.49 H new ATOM 0 HB VAL A 108 0.795 -4.035 -7.836 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -1.028 -3.434 -6.300 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.821 -2.229 -7.593 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.163 -3.395 -7.670 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.525 -5.799 -6.705 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.622 -5.862 -8.105 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.082 -6.340 -8.288 1.00 0.53 H new ATOM 1610 N MET A 109 1.431 -2.445 -10.214 1.00 0.47 N ATOM 1611 CA MET A 109 2.012 -1.166 -10.602 1.00 0.49 C ATOM 1612 C MET A 109 1.433 -0.717 -11.935 1.00 0.50 C ATOM 1613 O MET A 109 1.099 0.456 -12.118 1.00 0.52 O ATOM 1614 CB MET A 109 3.535 -1.283 -10.719 1.00 0.50 C ATOM 1615 CG MET A 109 4.296 -0.521 -9.644 1.00 0.62 C ATOM 1616 SD MET A 109 3.866 -1.053 -7.977 1.00 0.80 S ATOM 1617 CE MET A 109 3.211 0.464 -7.288 1.00 0.86 C ATOM 0 H MET A 109 2.110 -3.198 -10.103 1.00 0.47 H new ATOM 0 HA MET A 109 1.772 -0.430 -9.835 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.814 -2.336 -10.671 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.844 -0.916 -11.698 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.367 -0.655 -9.799 1.00 0.62 H new ATOM 0 HG3 MET A 109 4.090 0.545 -9.745 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.902 0.292 -6.257 1.00 0.86 H new ATOM 0 HE2 MET A 109 3.980 1.236 -7.312 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.352 0.789 -7.875 1.00 0.86 H new ATOM 1627 N THR A 110 1.296 -1.666 -12.858 1.00 0.50 N ATOM 1628 CA THR A 110 0.756 -1.374 -14.178 1.00 0.54 C ATOM 1629 C THR A 110 -0.750 -1.123 -14.100 1.00 0.53 C ATOM 1630 O THR A 110 -1.289 -0.294 -14.833 1.00 0.54 O ATOM 1631 CB THR A 110 1.019 -2.536 -15.164 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.326 -3.077 -14.948 1.00 0.59 O ATOM 1633 CG2 THR A 110 0.899 -2.067 -16.604 1.00 0.67 C ATOM 0 H THR A 110 1.552 -2.643 -12.714 1.00 0.50 H new ATOM 0 HA THR A 110 1.261 -0.479 -14.542 1.00 0.54 H new ATOM 0 HB THR A 110 0.269 -3.306 -14.984 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.350 -3.540 -14.084 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.089 -2.904 -17.276 1.00 0.67 H new ATOM 0 HG22 THR A 110 -0.106 -1.682 -16.779 1.00 0.67 H new ATOM 0 HG23 THR A 110 1.628 -1.278 -16.792 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.407 -1.817 -13.183 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.848 -1.690 -13.015 1.00 0.56 C ATOM 1643 C ASN A 111 -3.202 -0.315 -12.470 1.00 0.55 C ATOM 1644 O ASN A 111 -4.127 0.336 -12.957 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.379 -2.782 -12.085 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.483 -3.606 -12.723 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.662 -3.277 -12.622 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -4.105 -4.694 -13.374 1.00 0.88 N ATOM 0 H ASN A 111 -0.965 -2.476 -12.542 1.00 0.53 H new ATOM 0 HA ASN A 111 -3.318 -1.808 -13.991 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.559 -3.440 -11.798 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.755 -2.324 -11.170 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -4.803 -5.293 -13.814 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.115 -4.933 -13.436 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.445 0.137 -11.466 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.690 1.449 -10.861 1.00 0.57 C ATOM 1657 C LEU A 112 -2.313 2.566 -11.832 1.00 0.61 C ATOM 1658 O LEU A 112 -2.861 3.665 -11.773 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.902 1.627 -9.556 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.149 0.573 -8.475 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.153 0.742 -7.340 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.576 0.665 -7.951 1.00 0.63 C ATOM 0 H LEU A 112 -1.666 -0.380 -11.059 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.755 1.504 -10.633 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.838 1.632 -9.795 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.140 2.607 -9.142 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.011 -0.414 -8.916 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.339 -0.014 -6.577 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.140 0.627 -7.725 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.265 1.734 -6.903 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.731 -0.093 -7.183 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.744 1.654 -7.524 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.276 0.500 -8.770 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.366 2.277 -12.716 1.00 0.67 N ATOM 1675 CA GLY A 113 -0.933 3.259 -13.686 1.00 0.75 C ATOM 1676 C GLY A 113 0.055 4.245 -13.101 1.00 0.77 C ATOM 1677 O GLY A 113 0.047 5.425 -13.457 1.00 0.89 O ATOM 0 H GLY A 113 -0.890 1.377 -12.777 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.477 2.751 -14.536 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.800 3.799 -14.066 1.00 0.75 H new ATOM 1681 N GLU A 114 0.906 3.762 -12.207 1.00 0.72 N ATOM 1682 CA GLU A 114 1.899 4.612 -11.571 1.00 0.79 C ATOM 1683 C GLU A 114 3.110 4.779 -12.476 1.00 0.79 C ATOM 1684 O GLU A 114 3.297 4.014 -13.425 1.00 0.83 O ATOM 1685 CB GLU A 114 2.317 4.033 -10.221 1.00 0.84 C ATOM 1686 CG GLU A 114 1.899 4.901 -9.039 1.00 0.95 C ATOM 1687 CD GLU A 114 2.833 6.070 -8.811 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.996 6.895 -9.740 1.00 1.61 O ATOM 1689 OE2 GLU A 114 3.399 6.171 -7.700 1.00 1.55 O ATOM 0 H GLU A 114 0.928 2.787 -11.907 1.00 0.72 H new ATOM 0 HA GLU A 114 1.455 5.593 -11.400 1.00 0.79 H new ATOM 0 HB2 GLU A 114 1.880 3.041 -10.107 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.400 3.908 -10.206 1.00 0.84 H new ATOM 0 HG2 GLU A 114 0.890 5.276 -9.208 1.00 0.95 H new ATOM 0 HG3 GLU A 114 1.865 4.288 -8.138 1.00 0.95 H new ATOM 1696 N LYS A 115 3.940 5.759 -12.170 1.00 0.77 N ATOM 1697 CA LYS A 115 5.120 6.037 -12.975 1.00 0.80 C ATOM 1698 C LYS A 115 6.287 5.134 -12.573 1.00 0.82 C ATOM 1699 O LYS A 115 7.346 5.610 -12.166 1.00 1.18 O ATOM 1700 CB LYS A 115 5.515 7.513 -12.847 1.00 0.84 C ATOM 1701 CG LYS A 115 4.327 8.464 -12.794 1.00 0.91 C ATOM 1702 CD LYS A 115 4.334 9.300 -11.523 1.00 1.07 C ATOM 1703 CE LYS A 115 3.063 10.127 -11.385 1.00 1.17 C ATOM 1704 NZ LYS A 115 1.855 9.272 -11.215 1.00 1.02 N ATOM 0 H LYS A 115 3.820 6.378 -11.368 1.00 0.77 H new ATOM 0 HA LYS A 115 4.877 5.827 -14.017 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.113 7.643 -11.945 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.149 7.785 -13.691 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.348 9.122 -13.663 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.400 7.893 -12.849 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.438 8.645 -10.658 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.200 9.962 -11.528 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.157 10.796 -10.529 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.941 10.754 -12.268 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.046 9.865 -10.940 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.642 8.790 -12.111 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.032 8.564 -10.474 1.00 1.02 H new ATOM 1718 N LEU A 116 6.081 3.822 -12.675 1.00 0.64 N ATOM 1719 CA LEU A 116 7.114 2.851 -12.333 1.00 0.65 C ATOM 1720 C LEU A 116 7.218 1.774 -13.398 1.00 0.65 C ATOM 1721 O LEU A 116 6.240 1.094 -13.705 1.00 0.68 O ATOM 1722 CB LEU A 116 6.819 2.174 -10.992 1.00 0.70 C ATOM 1723 CG LEU A 116 7.288 2.926 -9.749 1.00 0.93 C ATOM 1724 CD1 LEU A 116 6.280 3.998 -9.364 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.503 1.948 -8.607 1.00 0.93 C ATOM 0 H LEU A 116 5.205 3.408 -12.993 1.00 0.64 H new ATOM 0 HA LEU A 116 8.054 3.399 -12.265 1.00 0.65 H new ATOM 0 HB2 LEU A 116 5.743 2.018 -10.914 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.285 1.188 -10.994 1.00 0.70 H new ATOM 0 HG LEU A 116 8.235 3.420 -9.967 1.00 0.93 H new ATOM 0 HD11 LEU A 116 6.630 4.524 -8.476 1.00 1.27 H new ATOM 0 HD12 LEU A 116 6.170 4.706 -10.186 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.317 3.533 -9.154 1.00 1.27 H new ATOM 0 HD21 LEU A 116 7.838 2.490 -7.722 1.00 0.93 H new ATOM 0 HD22 LEU A 116 6.567 1.435 -8.386 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.259 1.216 -8.892 1.00 0.93 H new ATOM 1737 N THR A 117 8.406 1.618 -13.955 1.00 0.70 N ATOM 1738 CA THR A 117 8.648 0.600 -14.959 1.00 0.73 C ATOM 1739 C THR A 117 9.242 -0.650 -14.302 1.00 0.71 C ATOM 1740 O THR A 117 9.290 -0.734 -13.074 1.00 0.69 O ATOM 1741 CB THR A 117 9.604 1.124 -16.042 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.631 1.918 -15.442 1.00 0.93 O ATOM 1743 CG2 THR A 117 8.848 1.953 -17.067 1.00 1.04 C ATOM 0 H THR A 117 9.221 2.187 -13.727 1.00 0.70 H new ATOM 0 HA THR A 117 7.698 0.344 -15.428 1.00 0.73 H new ATOM 0 HB THR A 117 10.055 0.270 -16.548 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.390 1.346 -15.204 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.542 2.315 -17.825 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.083 1.338 -17.540 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.376 2.802 -16.572 1.00 1.04 H new ATOM 1751 N ASP A 118 9.701 -1.601 -15.111 1.00 0.73 N ATOM 1752 CA ASP A 118 10.290 -2.842 -14.594 1.00 0.74 C ATOM 1753 C ASP A 118 11.450 -2.541 -13.648 1.00 0.73 C ATOM 1754 O ASP A 118 11.508 -3.060 -12.533 1.00 0.74 O ATOM 1755 CB ASP A 118 10.787 -3.722 -15.744 1.00 0.79 C ATOM 1756 CG ASP A 118 10.556 -5.202 -15.509 1.00 0.97 C ATOM 1757 OD1 ASP A 118 11.049 -5.741 -14.499 1.00 1.38 O ATOM 1758 OD2 ASP A 118 9.874 -5.835 -16.346 1.00 1.20 O ATOM 0 H ASP A 118 9.678 -1.540 -16.129 1.00 0.73 H new ATOM 0 HA ASP A 118 9.514 -3.374 -14.044 1.00 0.74 H new ATOM 0 HB2 ASP A 118 10.284 -3.424 -16.664 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.853 -3.547 -15.892 1.00 0.79 H new ATOM 1763 N GLU A 119 12.353 -1.676 -14.099 1.00 0.72 N ATOM 1764 CA GLU A 119 13.518 -1.281 -13.313 1.00 0.73 C ATOM 1765 C GLU A 119 13.110 -0.591 -12.017 1.00 0.70 C ATOM 1766 O GLU A 119 13.747 -0.773 -10.981 1.00 0.71 O ATOM 1767 CB GLU A 119 14.405 -0.331 -14.128 1.00 0.78 C ATOM 1768 CG GLU A 119 15.584 -1.004 -14.811 1.00 1.15 C ATOM 1769 CD GLU A 119 15.175 -2.106 -15.768 1.00 1.69 C ATOM 1770 OE1 GLU A 119 14.128 -1.971 -16.444 1.00 2.33 O ATOM 1771 OE2 GLU A 119 15.907 -3.118 -15.862 1.00 2.18 O ATOM 0 H GLU A 119 12.299 -1.231 -15.015 1.00 0.72 H new ATOM 0 HA GLU A 119 14.070 -2.188 -13.065 1.00 0.73 H new ATOM 0 HB2 GLU A 119 13.793 0.158 -14.886 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.781 0.451 -13.468 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.156 -0.253 -15.356 1.00 1.15 H new ATOM 0 HG3 GLU A 119 16.246 -1.420 -14.051 1.00 1.15 H new ATOM 1778 N GLU A 120 12.028 0.170 -12.075 1.00 0.70 N ATOM 1779 CA GLU A 120 11.555 0.908 -10.918 1.00 0.69 C ATOM 1780 C GLU A 120 10.949 -0.031 -9.874 1.00 0.67 C ATOM 1781 O GLU A 120 11.088 0.200 -8.677 1.00 0.68 O ATOM 1782 CB GLU A 120 10.547 1.978 -11.345 1.00 0.72 C ATOM 1783 CG GLU A 120 11.066 2.903 -12.441 1.00 0.85 C ATOM 1784 CD GLU A 120 12.417 3.509 -12.118 1.00 1.09 C ATOM 1785 OE1 GLU A 120 13.447 2.893 -12.452 1.00 1.33 O ATOM 1786 OE2 GLU A 120 12.457 4.610 -11.530 1.00 1.86 O ATOM 0 H GLU A 120 11.461 0.292 -12.914 1.00 0.70 H new ATOM 0 HA GLU A 120 12.409 1.404 -10.457 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.637 1.490 -11.694 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.274 2.576 -10.475 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.139 2.345 -13.375 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.345 3.704 -12.604 1.00 0.85 H new ATOM 1793 N VAL A 121 10.294 -1.093 -10.337 1.00 0.66 N ATOM 1794 CA VAL A 121 9.690 -2.078 -9.438 1.00 0.66 C ATOM 1795 C VAL A 121 10.781 -2.796 -8.651 1.00 0.64 C ATOM 1796 O VAL A 121 10.673 -2.996 -7.442 1.00 0.63 O ATOM 1797 CB VAL A 121 8.860 -3.130 -10.217 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.216 -4.138 -9.274 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.800 -2.455 -11.069 1.00 0.76 C ATOM 0 H VAL A 121 10.167 -1.295 -11.329 1.00 0.66 H new ATOM 0 HA VAL A 121 9.023 -1.542 -8.763 1.00 0.66 H new ATOM 0 HB VAL A 121 9.544 -3.669 -10.872 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.641 -4.862 -9.852 1.00 0.71 H new ATOM 0 HG12 VAL A 121 8.992 -4.657 -8.711 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.553 -3.618 -8.583 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.229 -3.212 -11.607 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.129 -1.882 -10.429 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.279 -1.786 -11.784 1.00 0.76 H new ATOM 1809 N ASP A 122 11.844 -3.165 -9.356 1.00 0.65 N ATOM 1810 CA ASP A 122 12.973 -3.863 -8.752 1.00 0.66 C ATOM 1811 C ASP A 122 13.750 -2.929 -7.838 1.00 0.65 C ATOM 1812 O ASP A 122 14.190 -3.322 -6.756 1.00 0.66 O ATOM 1813 CB ASP A 122 13.896 -4.408 -9.849 1.00 0.71 C ATOM 1814 CG ASP A 122 15.241 -4.884 -9.322 1.00 0.81 C ATOM 1815 OD1 ASP A 122 16.161 -4.049 -9.164 1.00 0.96 O ATOM 1816 OD2 ASP A 122 15.392 -6.104 -9.087 1.00 0.89 O ATOM 0 H ASP A 122 11.948 -2.990 -10.356 1.00 0.65 H new ATOM 0 HA ASP A 122 12.592 -4.693 -8.157 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.398 -5.235 -10.355 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.060 -3.631 -10.595 1.00 0.71 H new ATOM 1821 N GLU A 123 13.909 -1.693 -8.287 1.00 0.66 N ATOM 1822 CA GLU A 123 14.625 -0.686 -7.527 1.00 0.68 C ATOM 1823 C GLU A 123 13.903 -0.406 -6.216 1.00 0.66 C ATOM 1824 O GLU A 123 14.518 -0.372 -5.152 1.00 0.66 O ATOM 1825 CB GLU A 123 14.755 0.595 -8.354 1.00 0.75 C ATOM 1826 CG GLU A 123 15.720 1.610 -7.773 1.00 0.86 C ATOM 1827 CD GLU A 123 17.109 1.039 -7.554 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.683 0.461 -8.502 1.00 1.13 O ATOM 1829 OE2 GLU A 123 17.639 1.168 -6.438 1.00 1.20 O ATOM 0 H GLU A 123 13.547 -1.364 -9.182 1.00 0.66 H new ATOM 0 HA GLU A 123 15.624 -1.056 -7.297 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.081 0.334 -9.361 1.00 0.75 H new ATOM 0 HB3 GLU A 123 13.772 1.056 -8.447 1.00 0.75 H new ATOM 0 HG2 GLU A 123 15.786 2.468 -8.443 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.328 1.976 -6.824 1.00 0.86 H new ATOM 1836 N MET A 124 12.597 -0.220 -6.306 1.00 0.67 N ATOM 1837 CA MET A 124 11.783 0.047 -5.134 1.00 0.69 C ATOM 1838 C MET A 124 11.738 -1.174 -4.212 1.00 0.69 C ATOM 1839 O MET A 124 11.828 -1.025 -3.006 1.00 0.76 O ATOM 1840 CB MET A 124 10.370 0.478 -5.550 1.00 0.72 C ATOM 1841 CG MET A 124 9.432 0.731 -4.378 1.00 0.64 C ATOM 1842 SD MET A 124 7.873 1.481 -4.890 1.00 0.61 S ATOM 1843 CE MET A 124 6.790 0.839 -3.620 1.00 0.68 C ATOM 0 H MET A 124 12.077 -0.249 -7.183 1.00 0.67 H new ATOM 0 HA MET A 124 12.238 0.866 -4.577 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.439 1.386 -6.150 1.00 0.72 H new ATOM 0 HB3 MET A 124 9.939 -0.293 -6.188 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.228 -0.212 -3.870 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.925 1.382 -3.656 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.771 1.178 -3.806 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.819 -0.251 -3.634 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.120 1.198 -2.645 1.00 0.68 H new ATOM 1853 N ILE A 125 11.659 -2.377 -4.786 1.00 0.65 N ATOM 1854 CA ILE A 125 11.601 -3.619 -3.994 1.00 0.68 C ATOM 1855 C ILE A 125 12.761 -3.712 -2.992 1.00 0.66 C ATOM 1856 O ILE A 125 12.630 -4.309 -1.919 1.00 0.64 O ATOM 1857 CB ILE A 125 11.585 -4.878 -4.921 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.141 -5.334 -5.186 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.393 -6.041 -4.345 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.391 -5.769 -3.945 1.00 0.92 C ATOM 0 H ILE A 125 11.633 -2.523 -5.795 1.00 0.65 H new ATOM 0 HA ILE A 125 10.670 -3.591 -3.427 1.00 0.68 H new ATOM 0 HB ILE A 125 12.056 -4.582 -5.858 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.595 -4.518 -5.660 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.157 -6.161 -5.896 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.348 -6.889 -5.028 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.431 -5.734 -4.215 1.00 0.90 H new ATOM 0 HG23 ILE A 125 11.977 -6.330 -3.380 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.381 -6.075 -4.219 1.00 0.92 H new ATOM 0 HD12 ILE A 125 9.911 -6.607 -3.481 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.340 -4.939 -3.241 1.00 0.92 H new ATOM 1872 N ARG A 126 13.885 -3.086 -3.321 1.00 0.73 N ATOM 1873 CA ARG A 126 15.058 -3.119 -2.454 1.00 0.77 C ATOM 1874 C ARG A 126 15.007 -2.053 -1.366 1.00 0.77 C ATOM 1875 O ARG A 126 16.023 -1.779 -0.721 1.00 0.87 O ATOM 1876 CB ARG A 126 16.332 -2.971 -3.277 1.00 0.81 C ATOM 1877 CG ARG A 126 16.930 -4.306 -3.692 1.00 0.93 C ATOM 1878 CD ARG A 126 18.043 -4.131 -4.712 1.00 0.94 C ATOM 1879 NE ARG A 126 17.543 -3.658 -6.001 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.829 -2.460 -6.515 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.558 -1.590 -5.829 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.380 -2.134 -7.718 1.00 0.89 N ATOM 0 H ARG A 126 14.009 -2.550 -4.180 1.00 0.73 H new ATOM 0 HA ARG A 126 15.060 -4.089 -1.956 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.115 -2.383 -4.169 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.069 -2.413 -2.699 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.320 -4.819 -2.813 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.149 -4.940 -4.111 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.777 -3.423 -4.328 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.558 -5.081 -4.851 1.00 0.94 H new ATOM 0 HE ARG A 126 16.940 -4.280 -6.540 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.905 -1.834 -4.901 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.772 -0.676 -6.229 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.817 -2.798 -8.249 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.597 -1.219 -8.113 1.00 0.89 H new ATOM 1896 N GLU A 127 13.845 -1.444 -1.164 1.00 0.76 N ATOM 1897 CA GLU A 127 13.709 -0.447 -0.118 1.00 0.77 C ATOM 1898 C GLU A 127 13.432 -1.159 1.210 1.00 0.74 C ATOM 1899 O GLU A 127 13.987 -0.802 2.250 1.00 0.75 O ATOM 1900 CB GLU A 127 12.623 0.591 -0.472 1.00 0.88 C ATOM 1901 CG GLU A 127 11.275 0.364 0.193 1.00 0.97 C ATOM 1902 CD GLU A 127 10.331 -0.473 -0.639 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.517 -1.711 -0.678 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.413 0.104 -1.253 1.00 1.87 O ATOM 0 H GLU A 127 12.997 -1.621 -1.703 1.00 0.76 H new ATOM 0 HA GLU A 127 14.637 0.116 -0.020 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.985 1.581 -0.196 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.482 0.593 -1.553 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.430 -0.124 1.155 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.811 1.329 0.396 1.00 0.97 H new ATOM 1911 N ALA A 128 12.583 -2.180 1.158 1.00 0.78 N ATOM 1912 CA ALA A 128 12.260 -2.970 2.342 1.00 0.82 C ATOM 1913 C ALA A 128 13.060 -4.266 2.361 1.00 0.74 C ATOM 1914 O ALA A 128 13.209 -4.895 3.408 1.00 0.76 O ATOM 1915 CB ALA A 128 10.767 -3.271 2.408 1.00 0.96 C ATOM 0 H ALA A 128 12.106 -2.480 0.308 1.00 0.78 H new ATOM 0 HA ALA A 128 12.530 -2.382 3.219 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.554 -3.861 3.300 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.209 -2.336 2.449 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.469 -3.832 1.522 1.00 0.96 H new ATOM 1921 N ASP A 129 13.577 -4.663 1.201 1.00 0.71 N ATOM 1922 CA ASP A 129 14.362 -5.891 1.100 1.00 0.68 C ATOM 1923 C ASP A 129 15.740 -5.698 1.719 1.00 0.71 C ATOM 1924 O ASP A 129 16.647 -5.134 1.101 1.00 0.78 O ATOM 1925 CB ASP A 129 14.505 -6.336 -0.354 1.00 0.69 C ATOM 1926 CG ASP A 129 14.761 -7.821 -0.464 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.840 -8.611 -0.164 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.879 -8.212 -0.839 1.00 0.76 O ATOM 0 H ASP A 129 13.468 -4.156 0.323 1.00 0.71 H new ATOM 0 HA ASP A 129 13.831 -6.669 1.648 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.598 -6.082 -0.903 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.324 -5.790 -0.822 1.00 0.69 H new ATOM 1933 N ILE A 130 15.886 -6.161 2.948 1.00 0.74 N ATOM 1934 CA ILE A 130 17.134 -6.023 3.680 1.00 0.81 C ATOM 1935 C ILE A 130 17.964 -7.313 3.625 1.00 0.84 C ATOM 1936 O ILE A 130 19.190 -7.276 3.742 1.00 0.92 O ATOM 1937 CB ILE A 130 16.853 -5.627 5.153 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.942 -4.396 5.209 1.00 0.86 C ATOM 1939 CG2 ILE A 130 18.147 -5.361 5.907 1.00 1.01 C ATOM 1940 CD1 ILE A 130 16.541 -3.155 4.573 1.00 0.88 C ATOM 0 H ILE A 130 15.148 -6.640 3.464 1.00 0.74 H new ATOM 0 HA ILE A 130 17.714 -5.233 3.203 1.00 0.81 H new ATOM 0 HB ILE A 130 16.347 -6.463 5.636 1.00 0.88 H new ATOM 0 HG12 ILE A 130 15.002 -4.630 4.710 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.705 -4.179 6.251 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.918 -5.086 6.937 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.763 -6.260 5.900 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.688 -4.547 5.425 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.835 -2.328 4.653 1.00 0.88 H new ATOM 0 HD12 ILE A 130 17.466 -2.894 5.086 1.00 0.88 H new ATOM 0 HD13 ILE A 130 16.752 -3.351 3.522 1.00 0.88 H new ATOM 1952 N ASP A 131 17.297 -8.445 3.426 1.00 0.83 N ATOM 1953 CA ASP A 131 17.987 -9.741 3.358 1.00 0.87 C ATOM 1954 C ASP A 131 18.701 -9.934 2.020 1.00 0.89 C ATOM 1955 O ASP A 131 19.589 -10.781 1.901 1.00 0.98 O ATOM 1956 CB ASP A 131 17.007 -10.899 3.574 1.00 0.88 C ATOM 1957 CG ASP A 131 15.718 -10.743 2.796 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.744 -10.251 1.660 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.648 -11.094 3.331 1.00 0.88 O ATOM 0 H ASP A 131 16.285 -8.498 3.309 1.00 0.83 H new ATOM 0 HA ASP A 131 18.731 -9.741 4.155 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.488 -11.833 3.283 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.775 -10.977 4.636 1.00 0.88 H new ATOM 1964 N GLY A 132 18.305 -9.158 1.019 1.00 0.87 N ATOM 1965 CA GLY A 132 18.909 -9.270 -0.293 1.00 0.92 C ATOM 1966 C GLY A 132 18.411 -10.497 -1.029 1.00 0.92 C ATOM 1967 O GLY A 132 19.198 -11.251 -1.604 1.00 0.94 O ATOM 0 H GLY A 132 17.574 -8.451 1.094 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.683 -8.377 -0.876 1.00 0.92 H new ATOM 0 HA3 GLY A 132 19.993 -9.319 -0.193 1.00 0.92 H new ATOM 1971 N ASP A 133 17.103 -10.698 -1.004 1.00 0.94 N ATOM 1972 CA ASP A 133 16.490 -11.849 -1.656 1.00 0.94 C ATOM 1973 C ASP A 133 15.520 -11.399 -2.754 1.00 0.89 C ATOM 1974 O ASP A 133 15.349 -12.089 -3.763 1.00 0.95 O ATOM 1975 CB ASP A 133 15.795 -12.745 -0.612 1.00 0.91 C ATOM 1976 CG ASP A 133 14.281 -12.615 -0.595 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.772 -11.625 -0.026 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.601 -13.511 -1.133 1.00 0.95 O ATOM 0 H ASP A 133 16.441 -10.077 -0.538 1.00 0.94 H new ATOM 0 HA ASP A 133 17.270 -12.439 -2.136 1.00 0.94 H new ATOM 0 HB2 ASP A 133 16.058 -13.785 -0.808 1.00 0.91 H new ATOM 0 HB3 ASP A 133 16.182 -12.500 0.377 1.00 0.91 H new ATOM 1983 N GLY A 134 14.905 -10.237 -2.569 1.00 0.84 N ATOM 1984 CA GLY A 134 13.990 -9.720 -3.567 1.00 0.84 C ATOM 1985 C GLY A 134 12.530 -9.834 -3.173 1.00 0.74 C ATOM 1986 O GLY A 134 11.668 -9.257 -3.836 1.00 0.78 O ATOM 0 H GLY A 134 15.024 -9.645 -1.747 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.226 -8.673 -3.755 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.147 -10.255 -4.503 1.00 0.84 H new ATOM 1990 N GLN A 135 12.244 -10.574 -2.115 1.00 0.69 N ATOM 1991 CA GLN A 135 10.873 -10.735 -1.654 1.00 0.65 C ATOM 1992 C GLN A 135 10.693 -10.072 -0.292 1.00 0.63 C ATOM 1993 O GLN A 135 11.381 -10.409 0.673 1.00 0.73 O ATOM 1994 CB GLN A 135 10.488 -12.217 -1.570 1.00 0.68 C ATOM 1995 CG GLN A 135 10.750 -12.997 -2.851 1.00 0.77 C ATOM 1996 CD GLN A 135 9.497 -13.643 -3.416 1.00 0.88 C ATOM 1997 OE1 GLN A 135 8.384 -13.152 -3.222 1.00 1.26 O ATOM 1998 NE2 GLN A 135 9.663 -14.751 -4.121 1.00 1.23 N ATOM 0 H GLN A 135 12.940 -11.072 -1.560 1.00 0.69 H new ATOM 0 HA GLN A 135 10.216 -10.252 -2.377 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.043 -12.681 -0.754 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.430 -12.294 -1.320 1.00 0.68 H new ATOM 0 HG2 GLN A 135 11.176 -12.327 -3.598 1.00 0.77 H new ATOM 0 HG3 GLN A 135 11.494 -13.769 -2.655 1.00 0.77 H new ATOM 0 HE21 GLN A 135 10.599 -15.130 -4.262 1.00 1.23 H new ATOM 0 HE22 GLN A 135 8.855 -15.226 -4.523 1.00 1.23 H new ATOM 2007 N VAL A 136 9.775 -9.128 -0.222 1.00 0.60 N ATOM 2008 CA VAL A 136 9.505 -8.407 1.013 1.00 0.59 C ATOM 2009 C VAL A 136 8.631 -9.253 1.939 1.00 0.58 C ATOM 2010 O VAL A 136 7.473 -9.544 1.622 1.00 0.61 O ATOM 2011 CB VAL A 136 8.818 -7.047 0.719 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.565 -6.258 1.995 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.656 -6.223 -0.249 1.00 0.69 C ATOM 0 H VAL A 136 9.198 -8.838 -1.011 1.00 0.60 H new ATOM 0 HA VAL A 136 10.455 -8.209 1.509 1.00 0.59 H new ATOM 0 HB VAL A 136 7.852 -7.261 0.261 1.00 0.60 H new ATOM 0 HG11 VAL A 136 8.083 -5.312 1.748 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.917 -6.834 2.656 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.513 -6.062 2.496 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.158 -5.273 -0.443 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.637 -6.036 0.187 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.773 -6.769 -1.185 1.00 0.69 H new ATOM 2023 N ASN A 137 9.197 -9.675 3.065 1.00 0.58 N ATOM 2024 CA ASN A 137 8.460 -10.492 4.027 1.00 0.59 C ATOM 2025 C ASN A 137 7.856 -9.616 5.125 1.00 0.59 C ATOM 2026 O ASN A 137 8.109 -8.414 5.170 1.00 0.59 O ATOM 2027 CB ASN A 137 9.355 -11.600 4.618 1.00 0.61 C ATOM 2028 CG ASN A 137 10.179 -11.168 5.821 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.736 -11.273 6.960 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.390 -10.702 5.576 1.00 0.86 N ATOM 0 H ASN A 137 10.159 -9.467 3.334 1.00 0.58 H new ATOM 0 HA ASN A 137 7.641 -10.983 3.501 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.726 -12.442 4.907 1.00 0.61 H new ATOM 0 HB3 ASN A 137 10.030 -11.958 3.841 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.992 -10.415 6.348 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.724 -10.629 4.615 1.00 0.86 H new ATOM 2037 N TYR A 138 7.061 -10.231 6.006 1.00 0.61 N ATOM 2038 CA TYR A 138 6.388 -9.521 7.100 1.00 0.63 C ATOM 2039 C TYR A 138 7.355 -8.639 7.887 1.00 0.63 C ATOM 2040 O TYR A 138 7.109 -7.450 8.065 1.00 0.65 O ATOM 2041 CB TYR A 138 5.728 -10.527 8.046 1.00 0.67 C ATOM 2042 CG TYR A 138 4.359 -10.110 8.554 1.00 0.72 C ATOM 2043 CD1 TYR A 138 3.265 -10.048 7.695 1.00 0.90 C ATOM 2044 CD2 TYR A 138 4.159 -9.793 9.893 1.00 0.89 C ATOM 2045 CE1 TYR A 138 2.011 -9.690 8.161 1.00 1.10 C ATOM 2046 CE2 TYR A 138 2.909 -9.430 10.363 1.00 1.04 C ATOM 2047 CZ TYR A 138 1.842 -9.378 9.491 1.00 1.10 C ATOM 2048 OH TYR A 138 0.594 -9.028 9.957 1.00 1.35 O ATOM 0 H TYR A 138 6.866 -11.232 5.982 1.00 0.61 H new ATOM 0 HA TYR A 138 5.631 -8.875 6.655 1.00 0.63 H new ATOM 0 HB2 TYR A 138 5.635 -11.483 7.531 1.00 0.67 H new ATOM 0 HB3 TYR A 138 6.385 -10.688 8.901 1.00 0.67 H new ATOM 0 HD1 TYR A 138 3.396 -10.283 6.649 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.993 -9.831 10.578 1.00 0.89 H new ATOM 0 HE1 TYR A 138 1.170 -9.656 7.484 1.00 1.10 H new ATOM 0 HE2 TYR A 138 2.770 -9.189 11.407 1.00 1.04 H new ATOM 0 HH TYR A 138 0.645 -8.839 10.917 1.00 1.35 H new ATOM 2058 N GLU A 139 8.456 -9.232 8.330 1.00 0.64 N ATOM 2059 CA GLU A 139 9.472 -8.526 9.109 1.00 0.66 C ATOM 2060 C GLU A 139 9.969 -7.286 8.366 1.00 0.62 C ATOM 2061 O GLU A 139 10.022 -6.192 8.931 1.00 0.60 O ATOM 2062 CB GLU A 139 10.636 -9.478 9.402 1.00 0.72 C ATOM 2063 CG GLU A 139 11.827 -8.828 10.087 1.00 1.39 C ATOM 2064 CD GLU A 139 11.674 -8.753 11.589 1.00 1.99 C ATOM 2065 OE1 GLU A 139 11.857 -9.792 12.261 1.00 2.39 O ATOM 2066 OE2 GLU A 139 11.389 -7.654 12.106 1.00 2.60 O ATOM 0 H GLU A 139 8.672 -10.214 8.161 1.00 0.64 H new ATOM 0 HA GLU A 139 9.030 -8.193 10.048 1.00 0.66 H new ATOM 0 HB2 GLU A 139 10.273 -10.293 10.029 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.970 -9.922 8.464 1.00 0.72 H new ATOM 0 HG2 GLU A 139 12.729 -9.390 9.847 1.00 1.39 H new ATOM 0 HG3 GLU A 139 11.963 -7.822 9.690 1.00 1.39 H new ATOM 2073 N GLU A 140 10.297 -7.464 7.095 1.00 0.61 N ATOM 2074 CA GLU A 140 10.794 -6.374 6.265 1.00 0.59 C ATOM 2075 C GLU A 140 9.725 -5.304 6.062 1.00 0.55 C ATOM 2076 O GLU A 140 10.029 -4.113 6.038 1.00 0.55 O ATOM 2077 CB GLU A 140 11.266 -6.915 4.913 1.00 0.60 C ATOM 2078 CG GLU A 140 12.538 -7.743 5.003 1.00 0.63 C ATOM 2079 CD GLU A 140 12.855 -8.474 3.708 1.00 0.62 C ATOM 2080 OE1 GLU A 140 12.060 -9.348 3.300 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.905 -8.203 3.092 1.00 0.66 O ATOM 0 H GLU A 140 10.228 -8.360 6.612 1.00 0.61 H new ATOM 0 HA GLU A 140 11.638 -5.914 6.779 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.474 -7.525 4.478 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.433 -6.079 4.234 1.00 0.60 H new ATOM 0 HG2 GLU A 140 13.373 -7.092 5.262 1.00 0.63 H new ATOM 0 HG3 GLU A 140 12.438 -8.469 5.810 1.00 0.63 H new ATOM 2088 N PHE A 141 8.472 -5.725 5.940 1.00 0.55 N ATOM 2089 CA PHE A 141 7.375 -4.782 5.741 1.00 0.54 C ATOM 2090 C PHE A 141 7.079 -4.020 7.032 1.00 0.55 C ATOM 2091 O PHE A 141 6.869 -2.811 7.007 1.00 0.56 O ATOM 2092 CB PHE A 141 6.123 -5.510 5.249 1.00 0.62 C ATOM 2093 CG PHE A 141 5.208 -4.656 4.412 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.685 -3.962 3.305 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.871 -4.539 4.743 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.836 -3.181 2.544 1.00 0.68 C ATOM 2097 CE2 PHE A 141 3.018 -3.758 3.988 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.502 -3.076 2.890 1.00 0.79 C ATOM 0 H PHE A 141 8.190 -6.705 5.975 1.00 0.55 H new ATOM 0 HA PHE A 141 7.676 -4.063 4.980 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.426 -6.379 4.666 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.569 -5.882 6.111 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.729 -4.034 3.038 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.488 -5.066 5.604 1.00 0.80 H new ATOM 0 HE1 PHE A 141 5.214 -2.654 1.681 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.975 -3.681 4.256 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.838 -2.460 2.301 1.00 0.79 H new ATOM 2108 N VAL A 142 7.063 -4.729 8.158 1.00 0.57 N ATOM 2109 CA VAL A 142 6.805 -4.111 9.461 1.00 0.60 C ATOM 2110 C VAL A 142 7.885 -3.078 9.786 1.00 0.59 C ATOM 2111 O VAL A 142 7.589 -1.922 10.105 1.00 0.58 O ATOM 2112 CB VAL A 142 6.782 -5.172 10.592 1.00 0.65 C ATOM 2113 CG1 VAL A 142 6.685 -4.517 11.964 1.00 0.70 C ATOM 2114 CG2 VAL A 142 5.639 -6.149 10.390 1.00 0.66 C ATOM 0 H VAL A 142 7.226 -5.735 8.197 1.00 0.57 H new ATOM 0 HA VAL A 142 5.830 -3.627 9.402 1.00 0.60 H new ATOM 0 HB VAL A 142 7.722 -5.723 10.547 1.00 0.65 H new ATOM 0 HG11 VAL A 142 6.671 -5.288 12.735 1.00 0.70 H new ATOM 0 HG12 VAL A 142 7.545 -3.865 12.118 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.769 -3.929 12.022 1.00 0.70 H new ATOM 0 HG21 VAL A 142 5.642 -6.884 11.195 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.693 -5.608 10.396 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.760 -6.658 9.434 1.00 0.66 H new ATOM 2124 N GLN A 143 9.130 -3.509 9.654 1.00 0.61 N ATOM 2125 CA GLN A 143 10.289 -2.673 9.929 1.00 0.62 C ATOM 2126 C GLN A 143 10.347 -1.461 9.001 1.00 0.59 C ATOM 2127 O GLN A 143 11.020 -0.479 9.294 1.00 0.69 O ATOM 2128 CB GLN A 143 11.556 -3.512 9.765 1.00 0.72 C ATOM 2129 CG GLN A 143 12.747 -3.006 10.566 1.00 1.03 C ATOM 2130 CD GLN A 143 13.901 -3.997 10.591 1.00 1.17 C ATOM 2131 OE1 GLN A 143 15.067 -3.609 10.648 1.00 1.50 O ATOM 2132 NE2 GLN A 143 13.585 -5.284 10.552 1.00 1.47 N ATOM 0 H GLN A 143 9.366 -4.454 9.351 1.00 0.61 H new ATOM 0 HA GLN A 143 10.209 -2.300 10.950 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.340 -4.538 10.064 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.827 -3.538 8.710 1.00 0.72 H new ATOM 0 HG2 GLN A 143 13.092 -2.064 10.141 1.00 1.03 H new ATOM 0 HG3 GLN A 143 12.430 -2.797 11.588 1.00 1.03 H new ATOM 0 HE21 GLN A 143 12.606 -5.568 10.505 1.00 1.47 H new ATOM 0 HE22 GLN A 143 14.321 -5.990 10.569 1.00 1.47 H new ATOM 2141 N MET A 144 9.634 -1.534 7.886 1.00 0.57 N ATOM 2142 CA MET A 144 9.633 -0.449 6.916 1.00 0.62 C ATOM 2143 C MET A 144 8.345 0.375 6.975 1.00 0.62 C ATOM 2144 O MET A 144 8.313 1.525 6.540 1.00 0.70 O ATOM 2145 CB MET A 144 9.833 -1.031 5.520 1.00 0.72 C ATOM 2146 CG MET A 144 10.943 -0.362 4.734 1.00 0.84 C ATOM 2147 SD MET A 144 10.389 1.119 3.877 1.00 0.89 S ATOM 2148 CE MET A 144 9.174 0.428 2.753 1.00 0.88 C ATOM 0 H MET A 144 9.050 -2.331 7.631 1.00 0.57 H new ATOM 0 HA MET A 144 10.451 0.229 7.158 1.00 0.62 H new ATOM 0 HB2 MET A 144 10.052 -2.095 5.608 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.901 -0.943 4.962 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.757 -0.102 5.411 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.345 -1.068 4.008 1.00 0.84 H new ATOM 0 HE1 MET A 144 9.002 1.123 1.931 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.542 -0.518 2.357 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.239 0.259 3.287 1.00 0.88 H new ATOM 2158 N MET A 145 7.281 -0.210 7.510 1.00 0.62 N ATOM 2159 CA MET A 145 6.007 0.490 7.609 1.00 0.70 C ATOM 2160 C MET A 145 5.916 1.274 8.910 1.00 0.69 C ATOM 2161 O MET A 145 5.668 2.481 8.897 1.00 0.74 O ATOM 2162 CB MET A 145 4.832 -0.485 7.490 1.00 0.81 C ATOM 2163 CG MET A 145 4.385 -0.717 6.055 1.00 1.05 C ATOM 2164 SD MET A 145 3.527 0.706 5.346 1.00 0.94 S ATOM 2165 CE MET A 145 1.941 0.591 6.174 1.00 1.47 C ATOM 0 H MET A 145 7.274 -1.161 7.880 1.00 0.62 H new ATOM 0 HA MET A 145 5.952 1.194 6.779 1.00 0.70 H new ATOM 0 HB2 MET A 145 5.115 -1.440 7.934 1.00 0.81 H new ATOM 0 HB3 MET A 145 3.991 -0.102 8.068 1.00 0.81 H new ATOM 0 HG2 MET A 145 5.255 -0.952 5.442 1.00 1.05 H new ATOM 0 HG3 MET A 145 3.727 -1.585 6.021 1.00 1.05 H new ATOM 0 HE1 MET A 145 1.297 1.404 5.840 1.00 1.47 H new ATOM 0 HE2 MET A 145 1.474 -0.364 5.934 1.00 1.47 H new ATOM 0 HE3 MET A 145 2.087 0.663 7.252 1.00 1.47 H new ATOM 2175 N THR A 146 6.132 0.590 10.023 1.00 0.68 N ATOM 2176 CA THR A 146 6.068 1.218 11.331 1.00 0.74 C ATOM 2177 C THR A 146 7.368 1.956 11.655 1.00 0.81 C ATOM 2178 O THR A 146 7.351 3.069 12.183 1.00 0.94 O ATOM 2179 CB THR A 146 5.789 0.162 12.412 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.815 -0.772 11.928 1.00 0.93 O ATOM 2181 CG2 THR A 146 5.292 0.806 13.698 1.00 1.07 C ATOM 0 H THR A 146 6.354 -0.405 10.045 1.00 0.68 H new ATOM 0 HA THR A 146 5.256 1.945 11.314 1.00 0.74 H new ATOM 0 HB THR A 146 6.722 -0.357 12.634 1.00 0.89 H new ATOM 0 HG1 THR A 146 4.638 -1.446 12.617 1.00 0.93 H new ATOM 0 HG21 THR A 146 5.104 0.033 14.443 1.00 1.07 H new ATOM 0 HG22 THR A 146 6.047 1.496 14.074 1.00 1.07 H new ATOM 0 HG23 THR A 146 4.369 1.351 13.499 1.00 1.07 H new ATOM 2189 N ALA A 147 8.492 1.338 11.326 1.00 0.91 N ATOM 2190 CA ALA A 147 9.793 1.939 11.591 1.00 1.05 C ATOM 2191 C ALA A 147 10.453 2.415 10.299 1.00 1.22 C ATOM 2192 O ALA A 147 9.796 2.989 9.426 1.00 1.28 O ATOM 2193 CB ALA A 147 10.694 0.948 12.321 1.00 1.33 C ATOM 0 H ALA A 147 8.531 0.423 10.876 1.00 0.91 H new ATOM 0 HA ALA A 147 9.642 2.810 12.229 1.00 1.05 H new ATOM 0 HB1 ALA A 147 11.663 1.410 12.513 1.00 1.33 H new ATOM 0 HB2 ALA A 147 10.233 0.666 13.267 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.831 0.059 11.705 1.00 1.33 H new ATOM 2200 N MET B 1 -10.839 -1.715 0.407 1.00 1.22 N ATOM 2201 CA MET B 1 -9.375 -1.587 0.579 1.00 0.87 C ATOM 2202 C MET B 1 -8.777 -0.802 -0.579 1.00 0.74 C ATOM 2203 O MET B 1 -7.831 -0.060 -0.403 1.00 0.83 O ATOM 2204 CB MET B 1 -8.711 -2.964 0.645 1.00 1.06 C ATOM 2205 CG MET B 1 -8.894 -3.691 1.965 1.00 1.77 C ATOM 2206 SD MET B 1 -10.630 -3.982 2.365 1.00 2.30 S ATOM 2207 CE MET B 1 -10.470 -4.990 3.837 1.00 2.55 C ATOM 0 H1 MET B 1 -11.254 -2.132 1.265 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.253 -0.775 0.243 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.040 -2.329 -0.408 1.00 1.22 H new ATOM 0 HA MET B 1 -9.193 -1.059 1.515 1.00 0.87 H new ATOM 0 HB2 MET B 1 -9.113 -3.585 -0.156 1.00 1.06 H new ATOM 0 HB3 MET B 1 -7.644 -2.848 0.454 1.00 1.06 H new ATOM 0 HG2 MET B 1 -8.370 -4.646 1.925 1.00 1.77 H new ATOM 0 HG3 MET B 1 -8.434 -3.108 2.763 1.00 1.77 H new ATOM 0 HE1 MET B 1 -11.461 -5.253 4.207 1.00 2.55 H new ATOM 0 HE2 MET B 1 -9.919 -5.899 3.597 1.00 2.55 H new ATOM 0 HE3 MET B 1 -9.933 -4.432 4.604 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.380 -0.980 -1.748 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.988 -0.339 -3.013 1.00 0.78 C ATOM 2221 C ASP B 2 -8.309 1.035 -2.864 1.00 0.70 C ATOM 2222 O ASP B 2 -7.085 1.155 -2.977 1.00 0.70 O ATOM 2223 CB ASP B 2 -10.263 -0.131 -3.819 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.477 -0.003 -2.902 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.466 0.877 -2.010 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -12.416 -0.809 -3.032 1.00 1.88 O ATOM 0 H ASP B 2 -10.186 -1.596 -1.853 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.256 -0.994 -3.485 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.168 0.767 -4.430 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -10.406 -0.968 -4.502 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.100 2.054 -2.577 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.598 3.418 -2.449 1.00 0.57 C ATOM 2233 C CYS B 3 -7.601 3.568 -1.292 1.00 0.57 C ATOM 2234 O CYS B 3 -6.664 4.365 -1.373 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.795 4.380 -2.303 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.924 4.434 -3.745 1.00 0.42 S ATOM 0 H CYS B 3 -10.105 1.964 -2.426 1.00 0.64 H new ATOM 0 HA CYS B 3 -8.040 3.671 -3.351 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.368 4.092 -1.422 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.414 5.385 -2.121 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.239 4.279 -4.839 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.758 2.764 -0.254 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.868 2.830 0.905 1.00 0.61 C ATOM 2244 C LEU B 4 -5.526 2.173 0.635 1.00 0.57 C ATOM 2245 O LEU B 4 -4.495 2.719 1.019 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.525 2.208 2.135 1.00 0.67 C ATOM 2247 CG LEU B 4 -8.136 3.224 3.083 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -8.882 2.529 4.216 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.057 4.146 3.621 1.00 1.25 C ATOM 0 H LEU B 4 -8.490 2.057 -0.185 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.683 3.886 1.101 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.302 1.516 1.810 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -6.782 1.622 2.675 1.00 0.67 H new ATOM 0 HG LEU B 4 -8.860 3.825 2.534 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -9.311 3.278 4.882 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -9.679 1.912 3.802 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -8.190 1.900 4.775 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.504 4.872 4.300 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -6.311 3.559 4.157 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -6.580 4.670 2.793 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.516 1.014 -0.012 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.251 0.364 -0.319 1.00 0.57 C ATOM 2263 C CYS B 5 -3.467 1.263 -1.250 1.00 0.59 C ATOM 2264 O CYS B 5 -2.249 1.222 -1.273 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.430 -1.038 -0.909 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.242 -1.110 -2.526 1.00 0.60 S ATOM 0 H CYS B 5 -6.348 0.516 -0.327 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.700 0.216 0.610 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.449 -1.505 -0.994 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.008 -1.637 -0.206 1.00 0.61 H new ATOM 0 HG CYS B 5 -6.278 -0.325 -2.527 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.179 2.099 -2.004 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.529 3.055 -2.877 1.00 0.61 C ATOM 2274 C ILE B 6 -2.781 4.054 -1.990 1.00 0.58 C ATOM 2275 O ILE B 6 -1.638 4.415 -2.264 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.535 3.781 -3.807 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.811 2.932 -5.055 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -4.012 5.161 -4.193 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -5.144 3.745 -6.293 1.00 0.53 C ATOM 0 H ILE B 6 -5.198 2.129 -2.023 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.838 2.532 -3.538 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.473 3.916 -3.268 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.937 2.315 -5.262 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.638 2.254 -4.845 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.733 5.654 -4.846 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.868 5.760 -3.294 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -3.061 5.057 -4.716 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.326 3.073 -7.132 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -6.036 4.342 -6.107 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.309 4.404 -6.531 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.439 4.465 -0.906 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.841 5.384 0.063 1.00 0.51 C ATOM 2293 C VAL B 7 -1.621 4.726 0.720 1.00 0.52 C ATOM 2294 O VAL B 7 -0.556 5.335 0.844 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.861 5.815 1.147 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -3.257 6.853 2.084 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -5.121 6.365 0.504 1.00 0.56 C ATOM 0 H VAL B 7 -4.390 4.175 -0.676 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.528 6.280 -0.473 1.00 0.51 H new ATOM 0 HB VAL B 7 -4.120 4.933 1.732 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.994 7.138 2.835 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -2.381 6.432 2.577 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.963 7.733 1.512 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.826 6.662 1.281 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.869 7.231 -0.108 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.575 5.597 -0.123 1.00 0.56 H new ATOM 2307 N THR B 8 -1.779 3.467 1.116 1.00 0.51 N ATOM 2308 CA THR B 8 -0.700 2.717 1.738 1.00 0.52 C ATOM 2309 C THR B 8 0.421 2.452 0.725 1.00 0.58 C ATOM 2310 O THR B 8 1.602 2.491 1.068 1.00 0.62 O ATOM 2311 CB THR B 8 -1.224 1.394 2.327 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.554 1.592 2.808 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.338 0.908 3.469 1.00 0.63 C ATOM 0 H THR B 8 -2.649 2.945 1.015 1.00 0.51 H new ATOM 0 HA THR B 8 -0.293 3.314 2.554 1.00 0.52 H new ATOM 0 HB THR B 8 -1.213 0.637 1.543 1.00 0.53 H new ATOM 0 HG1 THR B 8 -3.152 0.934 2.396 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.734 -0.028 3.864 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.675 0.746 3.100 1.00 0.63 H new ATOM 0 HG23 THR B 8 -0.321 1.657 4.260 1.00 0.63 H new ATOM 2321 N THR B 9 0.044 2.204 -0.529 1.00 0.63 N ATOM 2322 CA THR B 9 1.017 1.975 -1.592 1.00 0.70 C ATOM 2323 C THR B 9 1.810 3.254 -1.815 1.00 0.73 C ATOM 2324 O THR B 9 3.003 3.224 -2.091 1.00 0.78 O ATOM 2325 CB THR B 9 0.340 1.534 -2.918 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.378 0.315 -2.710 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.359 1.316 -4.034 1.00 0.71 C ATOM 0 H THR B 9 -0.929 2.157 -0.832 1.00 0.63 H new ATOM 0 HA THR B 9 1.677 1.165 -1.283 1.00 0.70 H new ATOM 0 HB THR B 9 -0.336 2.334 -3.220 1.00 0.75 H new ATOM 0 HG1 THR B 9 -0.989 0.421 -1.951 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.843 1.009 -4.943 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.899 2.244 -4.220 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.064 0.539 -3.737 1.00 0.71 H new ATOM 2335 N LYS B 10 1.134 4.389 -1.659 1.00 0.74 N ATOM 2336 CA LYS B 10 1.775 5.685 -1.812 1.00 0.80 C ATOM 2337 C LYS B 10 2.747 5.912 -0.664 1.00 0.81 C ATOM 2338 O LYS B 10 3.797 6.517 -0.850 1.00 0.87 O ATOM 2339 CB LYS B 10 0.738 6.808 -1.848 1.00 0.82 C ATOM 2340 CG LYS B 10 0.063 6.973 -3.196 1.00 1.07 C ATOM 2341 CD LYS B 10 0.668 8.120 -4.000 1.00 1.51 C ATOM 2342 CE LYS B 10 1.970 7.720 -4.685 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.166 8.167 -3.924 1.00 2.03 N ATOM 0 H LYS B 10 0.142 4.434 -1.427 1.00 0.74 H new ATOM 0 HA LYS B 10 2.318 5.694 -2.757 1.00 0.80 H new ATOM 0 HB2 LYS B 10 -0.023 6.612 -1.092 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.222 7.746 -1.577 1.00 0.82 H new ATOM 0 HG2 LYS B 10 0.153 6.046 -3.762 1.00 1.07 H new ATOM 0 HG3 LYS B 10 -1.002 7.155 -3.049 1.00 1.07 H new ATOM 0 HD2 LYS B 10 -0.048 8.452 -4.751 1.00 1.51 H new ATOM 0 HD3 LYS B 10 0.853 8.967 -3.339 1.00 1.51 H new ATOM 0 HE2 LYS B 10 1.999 6.637 -4.801 1.00 1.88 H new ATOM 0 HE3 LYS B 10 1.998 8.149 -5.687 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.005 8.122 -4.537 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 3.026 9.145 -3.601 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 3.305 7.547 -3.101 1.00 2.03 H new ATOM 2357 N LYS B 11 2.379 5.418 0.515 1.00 0.77 N ATOM 2358 CA LYS B 11 3.207 5.535 1.710 1.00 0.79 C ATOM 2359 C LYS B 11 4.452 4.677 1.542 1.00 0.82 C ATOM 2360 O LYS B 11 5.572 5.128 1.779 1.00 0.89 O ATOM 2361 CB LYS B 11 2.401 5.096 2.938 1.00 0.74 C ATOM 2362 CG LYS B 11 3.029 5.465 4.275 1.00 0.73 C ATOM 2363 CD LYS B 11 3.933 4.360 4.788 1.00 0.86 C ATOM 2364 CE LYS B 11 4.509 4.690 6.152 1.00 1.02 C ATOM 2365 NZ LYS B 11 5.667 3.816 6.480 1.00 1.32 N ATOM 0 H LYS B 11 1.499 4.926 0.668 1.00 0.77 H new ATOM 0 HA LYS B 11 3.513 6.571 1.853 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.408 5.542 2.883 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.267 4.015 2.901 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.603 6.385 4.167 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.244 5.663 5.005 1.00 0.73 H new ATOM 0 HD2 LYS B 11 3.370 3.428 4.847 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.746 4.197 4.080 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.822 5.734 6.173 1.00 1.02 H new ATOM 0 HE3 LYS B 11 3.737 4.573 6.912 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.596 3.502 7.469 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 5.664 2.986 5.853 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.551 4.347 6.348 1.00 1.32 H new ATOM 2379 N TYR B 12 4.235 3.437 1.131 1.00 0.78 N ATOM 2380 CA TYR B 12 5.322 2.500 0.879 1.00 0.81 C ATOM 2381 C TYR B 12 6.209 3.059 -0.238 1.00 0.95 C ATOM 2382 O TYR B 12 7.433 3.040 -0.147 1.00 1.01 O ATOM 2383 CB TYR B 12 4.722 1.136 0.495 1.00 0.78 C ATOM 2384 CG TYR B 12 5.718 0.005 0.341 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.309 -0.603 1.448 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.050 -0.466 -0.919 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.213 -1.640 1.291 1.00 0.78 C ATOM 2388 CE2 TYR B 12 6.948 -1.497 -1.086 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.527 -2.083 0.019 1.00 1.01 C ATOM 2390 OH TYR B 12 8.430 -3.109 -0.147 1.00 1.17 O ATOM 0 H TYR B 12 3.305 3.052 0.963 1.00 0.78 H new ATOM 0 HA TYR B 12 5.937 2.366 1.769 1.00 0.81 H new ATOM 0 HB2 TYR B 12 3.992 0.853 1.254 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.179 1.249 -0.443 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.058 -0.260 2.441 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.595 -0.015 -1.789 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.669 -2.099 2.155 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.197 -1.844 -2.078 1.00 1.21 H new ATOM 0 HH TYR B 12 9.178 -2.801 -0.701 1.00 1.17 H new ATOM 2400 N ARG B 13 5.558 3.617 -1.266 1.00 1.05 N ATOM 2401 CA ARG B 13 6.253 4.215 -2.408 1.00 1.20 C ATOM 2402 C ARG B 13 6.946 5.506 -1.997 1.00 1.27 C ATOM 2403 O ARG B 13 7.775 6.042 -2.732 1.00 1.46 O ATOM 2404 CB ARG B 13 5.266 4.500 -3.546 1.00 1.27 C ATOM 2405 CG ARG B 13 5.615 3.804 -4.852 1.00 1.21 C ATOM 2406 CD ARG B 13 5.797 4.805 -5.987 1.00 1.62 C ATOM 2407 NE ARG B 13 6.654 5.933 -5.606 1.00 2.12 N ATOM 2408 CZ ARG B 13 6.372 7.219 -5.849 1.00 2.44 C ATOM 2409 NH1 ARG B 13 5.263 7.569 -6.499 1.00 2.69 N ATOM 2410 NH2 ARG B 13 7.218 8.163 -5.454 1.00 3.10 N ATOM 0 H ARG B 13 4.541 3.666 -1.328 1.00 1.05 H new ATOM 0 HA ARG B 13 7.004 3.506 -2.756 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.269 4.189 -3.235 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.226 5.576 -3.718 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.531 3.227 -4.724 1.00 1.21 H new ATOM 0 HG3 ARG B 13 4.826 3.098 -5.111 1.00 1.21 H new ATOM 0 HD2 ARG B 13 6.230 4.298 -6.849 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.822 5.181 -6.296 1.00 1.62 H new ATOM 0 HE ARG B 13 7.527 5.723 -5.122 1.00 2.12 H new ATOM 0 HH11 ARG B 13 4.612 6.852 -6.820 1.00 2.69 H new ATOM 0 HH12 ARG B 13 5.064 8.554 -6.675 1.00 2.69 H new ATOM 0 HH21 ARG B 13 8.077 7.907 -4.968 1.00 3.10 H new ATOM 0 HH22 ARG B 13 7.008 9.144 -5.636 1.00 3.10 H new ATOM 2424 N TYR B 14 6.565 6.020 -0.839 1.00 1.21 N ATOM 2425 CA TYR B 14 7.152 7.235 -0.312 1.00 1.29 C ATOM 2426 C TYR B 14 8.355 6.883 0.552 1.00 1.32 C ATOM 2427 O TYR B 14 9.262 7.692 0.737 1.00 1.47 O ATOM 2428 CB TYR B 14 6.115 8.016 0.508 1.00 1.24 C ATOM 2429 CG TYR B 14 6.428 9.491 0.644 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.982 10.200 -0.409 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.167 10.170 1.826 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.272 11.543 -0.293 1.00 1.26 C ATOM 2433 CE2 TYR B 14 6.454 11.517 1.951 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.006 12.199 0.889 1.00 1.28 C ATOM 2435 OH TYR B 14 7.298 13.539 1.006 1.00 1.38 O ATOM 0 H TYR B 14 5.846 5.609 -0.244 1.00 1.21 H new ATOM 0 HA TYR B 14 7.478 7.865 -1.140 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.137 7.903 0.041 1.00 1.24 H new ATOM 0 HB3 TYR B 14 6.046 7.576 1.503 1.00 1.24 H new ATOM 0 HD1 TYR B 14 7.191 9.691 -1.339 1.00 1.23 H new ATOM 0 HD2 TYR B 14 5.733 9.639 2.660 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.706 12.078 -1.125 1.00 1.26 H new ATOM 0 HE2 TYR B 14 6.246 12.032 2.877 1.00 1.30 H new ATOM 0 HH TYR B 14 6.505 14.068 0.777 1.00 1.38 H new ATOM 2445 N GLN B 15 8.363 5.655 1.061 1.00 1.21 N ATOM 2446 CA GLN B 15 9.446 5.180 1.908 1.00 1.23 C ATOM 2447 C GLN B 15 10.684 4.889 1.071 1.00 1.37 C ATOM 2448 O GLN B 15 11.802 4.861 1.583 1.00 1.37 O ATOM 2449 CB GLN B 15 9.012 3.946 2.695 1.00 1.12 C ATOM 2450 CG GLN B 15 9.292 4.059 4.184 1.00 1.04 C ATOM 2451 CD GLN B 15 8.669 5.294 4.798 1.00 1.16 C ATOM 2452 OE1 GLN B 15 7.518 5.274 5.227 1.00 1.25 O ATOM 2453 NE2 GLN B 15 9.432 6.377 4.854 1.00 1.41 N ATOM 0 H GLN B 15 7.626 4.969 0.899 1.00 1.21 H new ATOM 0 HA GLN B 15 9.697 5.962 2.625 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.945 3.783 2.544 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.528 3.071 2.300 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.910 3.173 4.691 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.369 4.080 4.347 1.00 1.04 H new ATOM 0 HE21 GLN B 15 10.383 6.351 4.486 1.00 1.41 H new ATOM 0 HE22 GLN B 15 9.068 7.237 5.265 1.00 1.41 H new ATOM 2462 N ASP B 16 10.467 4.662 -0.217 1.00 1.59 N ATOM 2463 CA ASP B 16 11.557 4.423 -1.159 1.00 1.76 C ATOM 2464 C ASP B 16 12.394 5.696 -1.260 1.00 1.96 C ATOM 2465 O ASP B 16 13.626 5.658 -1.370 1.00 2.05 O ATOM 2466 CB ASP B 16 10.975 4.010 -2.525 1.00 2.09 C ATOM 2467 CG ASP B 16 11.546 4.775 -3.710 1.00 2.24 C ATOM 2468 OD1 ASP B 16 11.115 5.922 -3.951 1.00 2.32 O ATOM 2469 OD2 ASP B 16 12.411 4.223 -4.417 1.00 2.65 O ATOM 0 H ASP B 16 9.538 4.638 -0.638 1.00 1.59 H new ATOM 0 HA ASP B 16 12.198 3.611 -0.817 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.154 2.945 -2.675 1.00 2.09 H new ATOM 0 HB3 ASP B 16 9.894 4.152 -2.503 1.00 2.09 H new ATOM 2474 N GLU B 17 11.698 6.823 -1.177 1.00 2.16 N ATOM 2475 CA GLU B 17 12.313 8.138 -1.224 1.00 2.48 C ATOM 2476 C GLU B 17 12.974 8.455 0.114 1.00 2.44 C ATOM 2477 O GLU B 17 12.428 9.217 0.919 1.00 2.36 O ATOM 2478 CB GLU B 17 11.244 9.196 -1.529 1.00 2.75 C ATOM 2479 CG GLU B 17 11.807 10.588 -1.752 1.00 3.19 C ATOM 2480 CD GLU B 17 12.884 10.602 -2.806 1.00 3.49 C ATOM 2481 OE1 GLU B 17 12.593 10.233 -3.965 1.00 4.01 O ATOM 2482 OE2 GLU B 17 14.031 10.978 -2.478 1.00 3.62 O ATOM 0 H GLU B 17 10.683 6.847 -1.074 1.00 2.16 H new ATOM 0 HA GLU B 17 13.070 8.147 -2.008 1.00 2.48 H new ATOM 0 HB2 GLU B 17 10.688 8.892 -2.416 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.533 9.230 -0.703 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.002 11.261 -2.048 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.213 10.969 -0.815 1.00 3.19 H new ATOM 2489 N ASP B 18 14.135 7.869 0.364 1.00 2.66 N ATOM 2490 CA ASP B 18 14.822 8.100 1.628 1.00 2.76 C ATOM 2491 C ASP B 18 16.305 7.726 1.557 1.00 3.15 C ATOM 2492 O ASP B 18 17.149 8.359 2.193 1.00 3.44 O ATOM 2493 CB ASP B 18 14.124 7.304 2.734 1.00 2.70 C ATOM 2494 CG ASP B 18 14.745 7.527 4.094 1.00 2.54 C ATOM 2495 OD1 ASP B 18 14.591 8.634 4.645 1.00 2.74 O ATOM 2496 OD2 ASP B 18 15.383 6.592 4.622 1.00 2.45 O ATOM 0 H ASP B 18 14.616 7.240 -0.279 1.00 2.66 H new ATOM 0 HA ASP B 18 14.774 9.166 1.849 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.071 7.585 2.769 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.162 6.242 2.491 1.00 2.70 H new ATOM 2501 N THR B 19 16.619 6.694 0.793 1.00 3.25 N ATOM 2502 CA THR B 19 17.995 6.245 0.651 1.00 3.64 C ATOM 2503 C THR B 19 18.631 6.835 -0.608 1.00 4.26 C ATOM 2504 O THR B 19 18.314 6.359 -1.722 1.00 4.48 O ATOM 2505 CB THR B 19 18.059 4.706 0.609 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.205 4.165 1.627 1.00 3.24 O ATOM 2507 CG2 THR B 19 19.479 4.203 0.823 1.00 3.63 C ATOM 0 H THR B 19 15.940 6.150 0.261 1.00 3.25 H new ATOM 0 HA THR B 19 18.557 6.595 1.517 1.00 3.64 H new ATOM 0 HB THR B 19 17.726 4.379 -0.376 1.00 3.58 H new ATOM 0 HG1 THR B 19 17.244 3.186 1.600 1.00 3.24 H new ATOM 0 HG21 THR B 19 19.488 3.114 0.787 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.127 4.597 0.040 1.00 3.63 H new ATOM 0 HG23 THR B 19 19.841 4.537 1.795 1.00 3.63 H new