USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot -175:sc= 0.926 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 141:sc= 3.17 (180deg=-0.689) USER MOD Set 1.3: A 70 SER OG : rot -90:sc= 1.02 USER MOD Single : A 59 MET CE :methyl -149:sc= 0 (180deg=-0.302) USER MOD Single : A 60 THR OG1 : rot 83:sc= -0.351 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.03 K(o=-1,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 72 ASN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 74 SER OG : rot -94:sc= 1.18 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.00423 (180deg=-0.0701) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 83 SER OG : rot 53:sc= 1.17 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0082 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 46:sc= 0.857 USER MOD Single : A 103 MET CE :methyl -124:sc= -0.582 (180deg=-1.45) USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0.418 (180deg=0.411) USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : A 115 MET CE :methyl 159:sc= -0.134 (180deg=-0.644) USER MOD Single : A 117 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.9!) USER MOD Single : A 120 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 133 SER OG : rot 27:sc= -0.112 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 58 12.521 4.967 4.868 1.00 0.67 N ATOM 2 CA GLU A 58 12.071 5.449 3.548 1.00 0.44 C ATOM 3 C GLU A 58 10.929 4.579 3.045 1.00 0.28 C ATOM 4 O GLU A 58 10.845 3.417 3.430 1.00 0.22 O ATOM 5 CB GLU A 58 13.218 5.418 2.544 1.00 0.74 C ATOM 6 CG GLU A 58 13.750 4.025 2.288 1.00 0.46 C ATOM 7 CD GLU A 58 14.682 3.544 3.381 1.00 1.11 C ATOM 8 OE1 GLU A 58 14.188 2.977 4.372 1.00 1.82 O ATOM 9 OE2 GLU A 58 15.904 3.762 3.271 1.00 1.28 O ATOM 0 HA GLU A 58 11.728 6.478 3.654 1.00 0.44 H new ATOM 0 HB2 GLU A 58 12.879 5.849 1.602 1.00 0.74 H new ATOM 0 HB3 GLU A 58 14.029 6.048 2.909 1.00 0.74 H new ATOM 0 HG2 GLU A 58 12.913 3.332 2.199 1.00 0.46 H new ATOM 0 HG3 GLU A 58 14.278 4.012 1.334 1.00 0.46 H new ATOM 16 N MET A 59 10.047 5.134 2.190 1.00 0.25 N ATOM 17 CA MET A 59 8.879 4.379 1.705 1.00 0.17 C ATOM 18 C MET A 59 7.962 5.189 0.782 1.00 0.20 C ATOM 19 O MET A 59 7.507 6.271 1.124 1.00 0.29 O ATOM 20 CB MET A 59 8.078 3.848 2.899 1.00 0.16 C ATOM 21 CG MET A 59 7.897 4.872 4.019 1.00 0.25 C ATOM 22 SD MET A 59 7.101 4.177 5.484 1.00 0.75 S ATOM 23 CE MET A 59 7.139 5.584 6.593 1.00 0.59 C ATOM 0 H MET A 59 10.120 6.085 1.828 1.00 0.25 H new ATOM 0 HA MET A 59 9.268 3.556 1.105 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.097 3.524 2.552 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.581 2.968 3.300 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.871 5.275 4.297 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.301 5.706 3.649 1.00 0.25 H new ATOM 0 HE1 MET A 59 7.219 5.234 7.622 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.998 6.212 6.355 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.223 6.163 6.477 1.00 0.59 H new ATOM 33 N THR A 60 7.695 4.618 -0.388 1.00 0.19 N ATOM 34 CA THR A 60 6.812 5.199 -1.397 1.00 0.22 C ATOM 35 C THR A 60 5.357 4.958 -1.046 1.00 0.18 C ATOM 36 O THR A 60 4.924 3.822 -0.928 1.00 0.17 O ATOM 37 CB THR A 60 7.095 4.571 -2.781 1.00 0.29 C ATOM 38 OG1 THR A 60 8.454 4.813 -3.167 1.00 0.37 O ATOM 39 CG2 THR A 60 6.134 5.088 -3.850 1.00 0.34 C ATOM 0 H THR A 60 8.093 3.722 -0.668 1.00 0.19 H new ATOM 0 HA THR A 60 7.004 6.272 -1.427 1.00 0.22 H new ATOM 0 HB THR A 60 6.935 3.496 -2.694 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.036 4.143 -2.752 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.368 4.621 -4.807 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.110 4.843 -3.568 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.237 6.169 -3.939 1.00 0.34 H new ATOM 47 N ARG A 61 4.601 6.024 -0.920 1.00 0.20 N ATOM 48 CA ARG A 61 3.237 5.925 -0.451 1.00 0.18 C ATOM 49 C ARG A 61 2.259 5.856 -1.619 1.00 0.17 C ATOM 50 O ARG A 61 2.209 6.758 -2.453 1.00 0.18 O ATOM 51 CB ARG A 61 2.935 7.115 0.448 1.00 0.22 C ATOM 52 CG ARG A 61 1.835 6.851 1.450 1.00 0.33 C ATOM 53 CD ARG A 61 1.825 7.904 2.550 1.00 0.42 C ATOM 54 NE ARG A 61 1.624 9.260 2.049 1.00 0.84 N ATOM 55 CZ ARG A 61 1.823 10.355 2.786 1.00 1.13 C ATOM 56 NH1 ARG A 61 2.227 10.245 4.046 1.00 1.32 N ATOM 57 NH2 ARG A 61 1.623 11.555 2.263 1.00 1.91 N ATOM 0 H ARG A 61 4.908 6.972 -1.136 1.00 0.20 H new ATOM 0 HA ARG A 61 3.118 5.004 0.120 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.843 7.396 0.983 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.654 7.966 -0.172 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.871 6.844 0.942 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.970 5.863 1.890 1.00 0.33 H new ATOM 0 HD2 ARG A 61 1.036 7.667 3.263 1.00 0.42 H new ATOM 0 HD3 ARG A 61 2.769 7.861 3.093 1.00 0.42 H new ATOM 0 HE ARG A 61 1.315 9.377 1.084 1.00 0.84 H new ATOM 0 HH11 ARG A 61 2.386 9.323 4.452 1.00 1.32 H new ATOM 0 HH12 ARG A 61 2.379 11.083 4.608 1.00 1.32 H new ATOM 0 HH21 ARG A 61 1.316 11.644 1.294 1.00 1.91 H new ATOM 0 HH22 ARG A 61 1.776 12.390 2.829 1.00 1.91 H new ATOM 71 N LEU A 62 1.516 4.760 -1.698 1.00 0.16 N ATOM 72 CA LEU A 62 0.468 4.618 -2.699 1.00 0.15 C ATOM 73 C LEU A 62 -0.875 4.907 -2.060 1.00 0.12 C ATOM 74 O LEU A 62 -1.240 4.272 -1.075 1.00 0.20 O ATOM 75 CB LEU A 62 0.407 3.206 -3.313 1.00 0.23 C ATOM 76 CG LEU A 62 1.722 2.432 -3.425 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.503 1.182 -4.251 1.00 0.28 C ATOM 78 CD2 LEU A 62 2.835 3.279 -4.030 1.00 0.32 C ATOM 0 H LEU A 62 1.620 3.955 -1.080 1.00 0.16 H new ATOM 0 HA LEU A 62 0.700 5.323 -3.497 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.286 2.610 -2.719 1.00 0.23 H new ATOM 0 HB3 LEU A 62 -0.021 3.291 -4.312 1.00 0.23 H new ATOM 0 HG LEU A 62 2.039 2.159 -2.419 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.440 0.630 -4.331 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.752 0.555 -3.770 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.159 1.460 -5.247 1.00 0.28 H new ATOM 0 HD21 LEU A 62 3.749 2.689 -4.090 1.00 0.32 H new ATOM 0 HD22 LEU A 62 2.544 3.601 -5.030 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.008 4.154 -3.403 1.00 0.32 H new ATOM 90 N MET A 63 -1.603 5.854 -2.611 1.00 0.10 N ATOM 91 CA MET A 63 -2.927 6.164 -2.111 1.00 0.13 C ATOM 92 C MET A 63 -3.970 5.276 -2.782 1.00 0.18 C ATOM 93 O MET A 63 -4.385 5.506 -3.917 1.00 0.39 O ATOM 94 CB MET A 63 -3.248 7.651 -2.290 1.00 0.18 C ATOM 95 CG MET A 63 -3.112 8.158 -3.720 1.00 0.29 C ATOM 96 SD MET A 63 -3.439 9.925 -3.874 1.00 1.09 S ATOM 97 CE MET A 63 -3.053 10.189 -5.605 1.00 1.80 C ATOM 0 H MET A 63 -1.303 6.422 -3.403 1.00 0.10 H new ATOM 0 HA MET A 63 -2.951 5.957 -1.041 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.267 7.834 -1.948 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.587 8.233 -1.647 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.105 7.948 -4.080 1.00 0.29 H new ATOM 0 HG3 MET A 63 -3.801 7.609 -4.362 1.00 0.29 H new ATOM 0 HE1 MET A 63 -3.207 11.239 -5.856 1.00 1.80 H new ATOM 0 HE2 MET A 63 -2.013 9.920 -5.791 1.00 1.80 H new ATOM 0 HE3 MET A 63 -3.704 9.569 -6.222 1.00 1.80 H new ATOM 107 N VAL A 64 -4.337 4.226 -2.074 1.00 0.11 N ATOM 108 CA VAL A 64 -5.329 3.278 -2.536 1.00 0.11 C ATOM 109 C VAL A 64 -6.710 3.728 -2.077 1.00 0.16 C ATOM 110 O VAL A 64 -6.842 4.275 -0.995 1.00 0.42 O ATOM 111 CB VAL A 64 -5.018 1.875 -1.966 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.059 0.866 -2.392 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.628 1.417 -2.386 1.00 0.18 C ATOM 0 H VAL A 64 -3.952 4.006 -1.155 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.307 3.231 -3.625 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.045 1.947 -0.879 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.812 -0.110 -1.975 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.038 1.178 -2.029 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.079 0.801 -3.480 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.431 0.428 -1.974 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.572 1.374 -3.474 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.884 2.121 -2.012 1.00 0.18 H new ATOM 123 N THR A 65 -7.730 3.551 -2.899 1.00 0.19 N ATOM 124 CA THR A 65 -9.076 3.916 -2.481 1.00 0.19 C ATOM 125 C THR A 65 -10.032 2.734 -2.496 1.00 0.20 C ATOM 126 O THR A 65 -10.177 2.036 -3.505 1.00 0.24 O ATOM 127 CB THR A 65 -9.662 5.042 -3.338 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.147 4.973 -4.674 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.372 6.405 -2.728 1.00 0.25 C ATOM 0 H THR A 65 -7.658 3.165 -3.841 1.00 0.19 H new ATOM 0 HA THR A 65 -8.972 4.267 -1.454 1.00 0.19 H new ATOM 0 HB THR A 65 -10.744 4.911 -3.371 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.468 5.743 -5.189 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.800 7.184 -3.358 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.814 6.460 -1.733 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.294 6.549 -2.655 1.00 0.25 H new ATOM 137 N GLU A 66 -10.705 2.539 -1.377 1.00 0.20 N ATOM 138 CA GLU A 66 -11.649 1.455 -1.218 1.00 0.22 C ATOM 139 C GLU A 66 -13.072 1.950 -1.421 1.00 0.24 C ATOM 140 O GLU A 66 -13.596 2.736 -0.632 1.00 0.31 O ATOM 141 CB GLU A 66 -11.514 0.803 0.157 1.00 0.25 C ATOM 142 CG GLU A 66 -10.138 0.224 0.427 1.00 0.35 C ATOM 143 CD GLU A 66 -9.090 1.281 0.694 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.161 1.929 1.756 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.209 1.473 -0.161 1.00 0.92 O ATOM 0 H GLU A 66 -10.610 3.131 -0.552 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.424 0.706 -1.977 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.744 1.543 0.924 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.256 0.010 0.247 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.195 -0.447 1.284 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.829 -0.377 -0.428 1.00 0.35 H new ATOM 152 N LYS A 67 -13.679 1.488 -2.495 1.00 0.23 N ATOM 153 CA LYS A 67 -15.064 1.803 -2.812 1.00 0.26 C ATOM 154 C LYS A 67 -15.623 0.673 -3.656 1.00 0.26 C ATOM 155 O LYS A 67 -14.971 -0.351 -3.765 1.00 0.27 O ATOM 156 CB LYS A 67 -15.189 3.171 -3.514 1.00 0.32 C ATOM 157 CG LYS A 67 -14.463 3.298 -4.851 1.00 0.36 C ATOM 158 CD LYS A 67 -12.951 3.345 -4.691 1.00 0.34 C ATOM 159 CE LYS A 67 -12.268 3.645 -6.013 1.00 0.53 C ATOM 160 NZ LYS A 67 -10.823 3.301 -5.993 1.00 0.93 N ATOM 0 H LYS A 67 -13.227 0.880 -3.178 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.645 1.889 -1.894 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.246 3.381 -3.674 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.810 3.940 -2.841 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.732 2.455 -5.488 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.800 4.202 -5.359 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.684 4.107 -3.959 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.594 2.391 -4.302 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -12.761 3.087 -6.809 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -12.384 4.703 -6.247 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -10.552 2.887 -6.908 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -10.264 4.161 -5.823 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -10.640 2.614 -5.234 1.00 0.93 H new ATOM 174 N GLN A 68 -16.803 0.824 -4.244 1.00 0.33 N ATOM 175 CA GLN A 68 -17.406 -0.271 -5.019 1.00 0.41 C ATOM 176 C GLN A 68 -16.436 -0.829 -6.071 1.00 0.42 C ATOM 177 O GLN A 68 -16.605 -1.947 -6.563 1.00 0.53 O ATOM 178 CB GLN A 68 -18.706 0.190 -5.673 1.00 0.49 C ATOM 179 CG GLN A 68 -19.823 0.464 -4.675 1.00 1.52 C ATOM 180 CD GLN A 68 -20.384 -0.800 -4.046 1.00 2.26 C ATOM 181 OE1 GLN A 68 -19.693 -1.809 -3.907 1.00 2.79 O ATOM 182 NE2 GLN A 68 -21.648 -0.751 -3.653 1.00 3.05 N ATOM 0 H GLN A 68 -17.360 1.677 -4.205 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.631 -1.080 -4.324 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.513 1.096 -6.248 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -19.038 -0.571 -6.379 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -19.447 1.118 -3.888 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -20.628 1.000 -5.178 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -22.190 0.103 -3.784 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -22.079 -1.567 -3.219 1.00 3.05 H new ATOM 191 N GLU A 69 -15.422 -0.039 -6.397 1.00 0.36 N ATOM 192 CA GLU A 69 -14.323 -0.477 -7.241 1.00 0.40 C ATOM 193 C GLU A 69 -13.381 -1.425 -6.489 1.00 0.33 C ATOM 194 O GLU A 69 -13.221 -2.585 -6.865 1.00 0.39 O ATOM 195 CB GLU A 69 -13.532 0.743 -7.684 1.00 0.45 C ATOM 196 CG GLU A 69 -12.436 0.454 -8.697 1.00 1.10 C ATOM 197 CD GLU A 69 -11.729 1.714 -9.158 1.00 1.52 C ATOM 198 OE1 GLU A 69 -10.855 2.221 -8.424 1.00 2.34 O ATOM 199 OE2 GLU A 69 -12.047 2.213 -10.254 1.00 1.63 O ATOM 0 H GLU A 69 -15.340 0.927 -6.081 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.738 -1.010 -8.096 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.221 1.471 -8.112 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.083 1.207 -6.806 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.708 -0.227 -8.257 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -12.867 -0.054 -9.560 1.00 1.10 H new ATOM 206 N SER A 70 -12.784 -0.927 -5.407 1.00 0.27 N ATOM 207 CA SER A 70 -11.688 -1.629 -4.749 1.00 0.22 C ATOM 208 C SER A 70 -11.997 -1.964 -3.289 1.00 0.17 C ATOM 209 O SER A 70 -11.081 -2.156 -2.496 1.00 0.16 O ATOM 210 CB SER A 70 -10.427 -0.770 -4.803 1.00 0.26 C ATOM 211 OG SER A 70 -10.281 -0.155 -6.073 1.00 0.59 O ATOM 0 H SER A 70 -13.042 -0.042 -4.970 1.00 0.27 H new ATOM 0 HA SER A 70 -11.543 -2.569 -5.282 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.471 -0.005 -4.028 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.554 -1.387 -4.592 1.00 0.26 H new ATOM 0 HG SER A 70 -9.762 -0.741 -6.663 1.00 0.59 H new ATOM 217 N LYS A 71 -13.269 -2.025 -2.918 1.00 0.19 N ATOM 218 CA LYS A 71 -13.634 -2.380 -1.550 1.00 0.20 C ATOM 219 C LYS A 71 -13.112 -3.759 -1.149 1.00 0.19 C ATOM 220 O LYS A 71 -13.074 -4.095 0.032 1.00 0.22 O ATOM 221 CB LYS A 71 -15.146 -2.330 -1.344 1.00 0.32 C ATOM 222 CG LYS A 71 -15.639 -0.991 -0.824 1.00 0.59 C ATOM 223 CD LYS A 71 -15.150 -0.724 0.594 1.00 0.42 C ATOM 224 CE LYS A 71 -15.518 0.675 1.068 1.00 1.12 C ATOM 225 NZ LYS A 71 -16.986 0.863 1.189 1.00 1.70 N ATOM 0 H LYS A 71 -14.058 -1.836 -3.536 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.161 -1.636 -0.909 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.642 -2.549 -2.290 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.436 -3.113 -0.643 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.294 -0.195 -1.484 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.729 -0.972 -0.843 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -15.581 -1.462 1.271 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -14.068 -0.848 0.634 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.049 0.864 2.034 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.117 1.410 0.370 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.184 1.807 1.579 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -17.426 0.777 0.250 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.378 0.137 1.823 1.00 1.70 H new ATOM 239 N ASN A 72 -12.712 -4.550 -2.132 1.00 0.19 N ATOM 240 CA ASN A 72 -12.091 -5.846 -1.876 1.00 0.22 C ATOM 241 C ASN A 72 -10.743 -5.657 -1.191 1.00 0.20 C ATOM 242 O ASN A 72 -10.270 -6.529 -0.461 1.00 0.27 O ATOM 243 CB ASN A 72 -11.897 -6.610 -3.185 1.00 0.26 C ATOM 244 CG ASN A 72 -13.164 -7.272 -3.697 1.00 1.15 C ATOM 245 OD1 ASN A 72 -13.106 -8.290 -4.389 1.00 2.13 O ATOM 246 ND2 ASN A 72 -14.315 -6.715 -3.358 1.00 1.62 N ATOM 0 H ASN A 72 -12.806 -4.318 -3.121 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.748 -6.420 -1.223 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.524 -5.923 -3.945 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.132 -7.373 -3.041 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -15.193 -7.128 -3.671 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -14.324 -5.872 -2.784 1.00 1.62 H new ATOM 253 N PHE A 73 -10.143 -4.498 -1.420 1.00 0.16 N ATOM 254 CA PHE A 73 -8.836 -4.186 -0.874 1.00 0.14 C ATOM 255 C PHE A 73 -8.916 -3.822 0.602 1.00 0.14 C ATOM 256 O PHE A 73 -7.975 -4.077 1.352 1.00 0.14 O ATOM 257 CB PHE A 73 -8.202 -3.030 -1.649 1.00 0.14 C ATOM 258 CG PHE A 73 -6.886 -2.596 -1.079 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.707 -3.199 -1.482 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.833 -1.604 -0.116 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.503 -2.817 -0.932 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.632 -1.227 0.440 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.466 -1.834 0.028 1.00 0.15 C ATOM 0 H PHE A 73 -10.548 -3.753 -1.987 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.219 -5.079 -0.973 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.061 -3.330 -2.687 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.888 -2.183 -1.652 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.731 -3.975 -2.233 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.744 -1.120 0.203 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.588 -3.290 -1.255 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.604 -0.457 1.197 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.522 -1.537 0.460 1.00 0.15 H new ATOM 273 N SER A 74 -10.044 -3.242 1.009 1.00 0.16 N ATOM 274 CA SER A 74 -10.196 -2.692 2.354 1.00 0.18 C ATOM 275 C SER A 74 -9.723 -3.678 3.420 1.00 0.18 C ATOM 276 O SER A 74 -8.910 -3.343 4.277 1.00 0.24 O ATOM 277 CB SER A 74 -11.653 -2.302 2.606 1.00 0.23 C ATOM 278 OG SER A 74 -12.517 -3.424 2.508 1.00 0.71 O ATOM 0 H SER A 74 -10.871 -3.141 0.421 1.00 0.16 H new ATOM 0 HA SER A 74 -9.570 -1.802 2.421 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.745 -1.856 3.596 1.00 0.23 H new ATOM 0 HB3 SER A 74 -11.957 -1.543 1.885 1.00 0.23 H new ATOM 0 HG SER A 74 -12.878 -3.480 1.599 1.00 0.71 H new ATOM 284 N LYS A 75 -10.218 -4.902 3.342 1.00 0.16 N ATOM 285 CA LYS A 75 -9.901 -5.916 4.333 1.00 0.18 C ATOM 286 C LYS A 75 -8.625 -6.670 3.965 1.00 0.15 C ATOM 287 O LYS A 75 -8.074 -7.402 4.787 1.00 0.20 O ATOM 288 CB LYS A 75 -11.076 -6.881 4.489 1.00 0.24 C ATOM 289 CG LYS A 75 -12.402 -6.170 4.713 1.00 0.76 C ATOM 290 CD LYS A 75 -12.371 -5.291 5.954 1.00 0.90 C ATOM 291 CE LYS A 75 -13.614 -4.422 6.058 1.00 1.87 C ATOM 292 NZ LYS A 75 -14.863 -5.226 6.076 1.00 2.17 N ATOM 0 H LYS A 75 -10.843 -5.218 2.600 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.725 -5.420 5.287 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.149 -7.503 3.597 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.882 -7.549 5.328 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.639 -5.560 3.841 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -13.198 -6.908 4.811 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -12.290 -5.918 6.842 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -11.485 -4.657 5.929 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -13.559 -3.820 6.965 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -13.642 -3.730 5.217 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -15.670 -4.609 6.300 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -15.009 -5.662 5.143 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -14.786 -5.971 6.798 1.00 2.17 H new ATOM 306 N MET A 76 -8.159 -6.496 2.729 1.00 0.13 N ATOM 307 CA MET A 76 -6.918 -7.126 2.289 1.00 0.15 C ATOM 308 C MET A 76 -5.756 -6.507 3.033 1.00 0.16 C ATOM 309 O MET A 76 -4.933 -7.201 3.621 1.00 0.20 O ATOM 310 CB MET A 76 -6.693 -6.950 0.784 1.00 0.17 C ATOM 311 CG MET A 76 -5.637 -7.896 0.225 1.00 0.23 C ATOM 312 SD MET A 76 -6.126 -9.629 0.363 1.00 0.51 S ATOM 313 CE MET A 76 -4.712 -10.433 -0.387 1.00 1.35 C ATOM 0 H MET A 76 -8.620 -5.927 2.019 1.00 0.13 H new ATOM 0 HA MET A 76 -6.991 -8.193 2.500 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.634 -7.115 0.260 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.393 -5.921 0.585 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.454 -7.655 -0.822 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.698 -7.743 0.756 1.00 0.23 H new ATOM 0 HE1 MET A 76 -4.861 -11.513 -0.378 1.00 1.35 H new ATOM 0 HE2 MET A 76 -4.602 -10.090 -1.416 1.00 1.35 H new ATOM 0 HE3 MET A 76 -3.812 -10.186 0.176 1.00 1.35 H new ATOM 323 N ALA A 77 -5.722 -5.182 3.020 1.00 0.15 N ATOM 324 CA ALA A 77 -4.672 -4.433 3.690 1.00 0.19 C ATOM 325 C ALA A 77 -4.710 -4.667 5.194 1.00 0.26 C ATOM 326 O ALA A 77 -3.685 -4.616 5.872 1.00 0.47 O ATOM 327 CB ALA A 77 -4.806 -2.953 3.389 1.00 0.17 C ATOM 0 H ALA A 77 -6.416 -4.601 2.549 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.712 -4.786 3.313 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.013 -2.405 3.898 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.727 -2.792 2.314 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.775 -2.597 3.739 1.00 0.17 H new ATOM 333 N LYS A 78 -5.904 -4.938 5.698 1.00 0.17 N ATOM 334 CA LYS A 78 -6.118 -5.153 7.113 1.00 0.21 C ATOM 335 C LYS A 78 -5.765 -6.574 7.516 1.00 0.19 C ATOM 336 O LYS A 78 -5.702 -6.896 8.705 1.00 0.33 O ATOM 337 CB LYS A 78 -7.575 -4.892 7.434 1.00 0.32 C ATOM 338 CG LYS A 78 -8.010 -3.470 7.148 1.00 0.54 C ATOM 339 CD LYS A 78 -8.134 -2.649 8.415 1.00 0.46 C ATOM 340 CE LYS A 78 -9.160 -1.543 8.249 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.311 -0.744 9.492 1.00 1.30 N ATOM 0 H LYS A 78 -6.750 -5.014 5.133 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.473 -4.471 7.668 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.195 -5.577 6.855 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.753 -5.113 8.486 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -7.290 -2.998 6.479 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -8.968 -3.481 6.628 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.422 -3.295 9.244 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.166 -2.217 8.669 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.861 -0.889 7.430 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -10.122 -1.977 7.976 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.020 0.002 9.341 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -9.620 -1.364 10.268 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.399 -0.310 9.739 1.00 1.30 H new ATOM 355 N SER A 79 -5.552 -7.425 6.527 1.00 0.13 N ATOM 356 CA SER A 79 -5.271 -8.822 6.782 1.00 0.14 C ATOM 357 C SER A 79 -3.902 -8.963 7.430 1.00 0.15 C ATOM 358 O SER A 79 -3.023 -8.131 7.211 1.00 0.17 O ATOM 359 CB SER A 79 -5.325 -9.623 5.481 1.00 0.21 C ATOM 360 OG SER A 79 -5.116 -11.004 5.717 1.00 0.30 O ATOM 0 H SER A 79 -5.569 -7.170 5.540 1.00 0.13 H new ATOM 0 HA SER A 79 -6.028 -9.215 7.461 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.293 -9.476 5.001 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.568 -9.251 4.791 1.00 0.21 H new ATOM 0 HG SER A 79 -5.158 -11.491 4.868 1.00 0.30 H new ATOM 366 N GLN A 80 -3.723 -10.017 8.217 1.00 0.26 N ATOM 367 CA GLN A 80 -2.473 -10.250 8.933 1.00 0.33 C ATOM 368 C GLN A 80 -1.282 -10.256 7.975 1.00 0.27 C ATOM 369 O GLN A 80 -0.198 -9.781 8.311 1.00 0.32 O ATOM 370 CB GLN A 80 -2.546 -11.575 9.696 1.00 0.45 C ATOM 371 CG GLN A 80 -2.807 -12.779 8.800 1.00 1.51 C ATOM 372 CD GLN A 80 -2.917 -14.075 9.575 1.00 1.98 C ATOM 373 OE1 GLN A 80 -3.364 -14.094 10.721 1.00 2.65 O ATOM 374 NE2 GLN A 80 -2.514 -15.172 8.955 1.00 2.42 N ATOM 0 H GLN A 80 -4.434 -10.730 8.377 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.329 -9.436 9.643 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -1.610 -11.728 10.233 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -3.336 -11.511 10.444 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -3.728 -12.617 8.240 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -2.002 -12.865 8.071 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -2.149 -15.116 8.004 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -2.568 -16.074 9.428 1.00 2.42 H new ATOM 383 N SER A 81 -1.505 -10.774 6.775 1.00 0.24 N ATOM 384 CA SER A 81 -0.472 -10.830 5.757 1.00 0.22 C ATOM 385 C SER A 81 -0.069 -9.425 5.315 1.00 0.16 C ATOM 386 O SER A 81 1.113 -9.066 5.347 1.00 0.18 O ATOM 387 CB SER A 81 -0.971 -11.642 4.567 1.00 0.27 C ATOM 388 OG SER A 81 -1.595 -12.840 5.004 1.00 0.99 O ATOM 0 H SER A 81 -2.401 -11.164 6.484 1.00 0.24 H new ATOM 0 HA SER A 81 0.410 -11.315 6.176 1.00 0.22 H new ATOM 0 HB2 SER A 81 -1.677 -11.049 3.986 1.00 0.27 H new ATOM 0 HB3 SER A 81 -0.137 -11.880 3.907 1.00 0.27 H new ATOM 0 HG SER A 81 -1.910 -13.347 4.227 1.00 0.99 H new ATOM 394 N PHE A 82 -1.048 -8.610 4.941 1.00 0.12 N ATOM 395 CA PHE A 82 -0.748 -7.287 4.425 1.00 0.11 C ATOM 396 C PHE A 82 -0.462 -6.295 5.548 1.00 0.12 C ATOM 397 O PHE A 82 0.119 -5.250 5.315 1.00 0.14 O ATOM 398 CB PHE A 82 -1.846 -6.738 3.525 1.00 0.12 C ATOM 399 CG PHE A 82 -1.281 -5.908 2.409 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.454 -6.487 1.460 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.557 -4.555 2.315 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.085 -5.734 0.437 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.026 -3.799 1.295 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.199 -4.387 0.355 1.00 0.09 C ATOM 0 H PHE A 82 -2.041 -8.840 4.985 1.00 0.12 H new ATOM 0 HA PHE A 82 0.150 -7.408 3.818 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.423 -7.564 3.109 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.534 -6.134 4.116 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.228 -7.541 1.522 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.196 -4.088 3.050 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.727 -6.198 -0.297 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.255 -2.746 1.228 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.223 -3.792 -0.442 1.00 0.09 H new ATOM 414 N SER A 83 -0.906 -6.582 6.754 1.00 0.13 N ATOM 415 CA SER A 83 -0.568 -5.723 7.882 1.00 0.17 C ATOM 416 C SER A 83 0.948 -5.624 8.037 1.00 0.21 C ATOM 417 O SER A 83 1.491 -4.550 8.282 1.00 0.40 O ATOM 418 CB SER A 83 -1.199 -6.254 9.171 1.00 0.21 C ATOM 419 OG SER A 83 -2.613 -6.265 9.082 1.00 1.17 O ATOM 0 H SER A 83 -1.491 -7.386 6.982 1.00 0.13 H new ATOM 0 HA SER A 83 -0.966 -4.727 7.688 1.00 0.17 H new ATOM 0 HB2 SER A 83 -0.836 -7.263 9.368 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.890 -5.634 10.013 1.00 0.21 H new ATOM 0 HG SER A 83 -2.886 -6.746 8.273 1.00 1.17 H new ATOM 425 N THR A 84 1.621 -6.741 7.828 1.00 0.17 N ATOM 426 CA THR A 84 3.028 -6.860 8.108 1.00 0.22 C ATOM 427 C THR A 84 3.926 -6.630 6.879 1.00 0.16 C ATOM 428 O THR A 84 4.969 -5.984 6.989 1.00 0.21 O ATOM 429 CB THR A 84 3.278 -8.262 8.675 1.00 0.36 C ATOM 430 OG1 THR A 84 2.761 -8.356 10.009 1.00 0.80 O ATOM 431 CG2 THR A 84 4.741 -8.598 8.651 1.00 0.64 C ATOM 0 H THR A 84 1.198 -7.592 7.457 1.00 0.17 H new ATOM 0 HA THR A 84 3.292 -6.079 8.821 1.00 0.22 H new ATOM 0 HB THR A 84 2.757 -8.984 8.046 1.00 0.36 H new ATOM 0 HG1 THR A 84 2.925 -9.256 10.361 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.891 -9.598 9.059 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.105 -8.566 7.624 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.290 -7.874 9.253 1.00 0.64 H new ATOM 439 N ARG A 85 3.479 -7.117 5.721 1.00 0.15 N ATOM 440 CA ARG A 85 4.337 -7.313 4.536 1.00 0.16 C ATOM 441 C ARG A 85 5.361 -6.184 4.295 1.00 0.15 C ATOM 442 O ARG A 85 6.551 -6.453 4.143 1.00 0.15 O ATOM 443 CB ARG A 85 3.469 -7.572 3.281 1.00 0.19 C ATOM 444 CG ARG A 85 2.930 -6.327 2.595 1.00 0.17 C ATOM 445 CD ARG A 85 2.136 -5.487 3.545 1.00 0.14 C ATOM 446 NE ARG A 85 1.809 -4.167 3.013 1.00 0.14 N ATOM 447 CZ ARG A 85 1.743 -3.057 3.754 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.899 -3.121 5.076 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.499 -1.887 3.177 1.00 0.19 N ATOM 0 H ARG A 85 2.508 -7.390 5.571 1.00 0.15 H new ATOM 0 HA ARG A 85 4.943 -8.195 4.744 1.00 0.16 H new ATOM 0 HB2 ARG A 85 4.061 -8.136 2.560 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.627 -8.203 3.566 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.758 -5.743 2.193 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.304 -6.616 1.750 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.213 -6.009 3.796 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.698 -5.369 4.472 1.00 0.14 H new ATOM 0 HE ARG A 85 1.619 -4.087 2.014 1.00 0.14 H new ATOM 0 HH11 ARG A 85 2.070 -4.020 5.526 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.848 -2.271 5.637 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.362 -1.835 2.168 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.449 -1.040 3.743 1.00 0.19 H new ATOM 463 N ILE A 86 4.916 -4.933 4.266 1.00 0.13 N ATOM 464 CA ILE A 86 5.802 -3.830 3.952 1.00 0.13 C ATOM 465 C ILE A 86 6.418 -3.248 5.217 1.00 0.14 C ATOM 466 O ILE A 86 7.546 -2.764 5.203 1.00 0.16 O ATOM 467 CB ILE A 86 5.080 -2.706 3.175 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.469 -3.243 1.891 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.034 -1.585 2.849 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.361 -4.219 1.180 1.00 0.21 C ATOM 0 H ILE A 86 3.951 -4.663 4.456 1.00 0.13 H new ATOM 0 HA ILE A 86 6.589 -4.237 3.316 1.00 0.13 H new ATOM 0 HB ILE A 86 4.284 -2.321 3.812 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.520 -3.728 2.122 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.247 -2.410 1.224 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.505 -0.805 2.302 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.438 -1.171 3.773 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.850 -1.968 2.236 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.869 -4.566 0.271 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.300 -3.731 0.920 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.562 -5.069 1.831 1.00 0.21 H new ATOM 482 N GLU A 87 5.653 -3.289 6.305 1.00 0.16 N ATOM 483 CA GLU A 87 6.096 -2.781 7.598 1.00 0.20 C ATOM 484 C GLU A 87 7.449 -3.363 8.011 1.00 0.22 C ATOM 485 O GLU A 87 8.257 -2.678 8.636 1.00 0.28 O ATOM 486 CB GLU A 87 5.047 -3.080 8.671 1.00 0.27 C ATOM 487 CG GLU A 87 3.725 -2.361 8.452 1.00 0.40 C ATOM 488 CD GLU A 87 3.012 -2.040 9.749 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.829 -2.954 10.575 1.00 0.56 O ATOM 490 OE2 GLU A 87 2.632 -0.866 9.944 1.00 0.89 O ATOM 0 H GLU A 87 4.709 -3.675 6.314 1.00 0.16 H new ATOM 0 HA GLU A 87 6.218 -1.702 7.499 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.866 -4.154 8.699 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.446 -2.798 9.645 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.905 -1.437 7.903 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.078 -2.980 7.830 1.00 0.40 H new ATOM 497 N GLU A 88 7.704 -4.615 7.646 1.00 0.25 N ATOM 498 CA GLU A 88 8.967 -5.257 7.997 1.00 0.30 C ATOM 499 C GLU A 88 10.029 -4.980 6.942 1.00 0.32 C ATOM 500 O GLU A 88 11.202 -5.306 7.118 1.00 0.37 O ATOM 501 CB GLU A 88 8.790 -6.762 8.174 1.00 0.42 C ATOM 502 CG GLU A 88 7.869 -7.120 9.320 1.00 0.52 C ATOM 503 CD GLU A 88 8.049 -8.546 9.795 1.00 1.09 C ATOM 504 OE1 GLU A 88 7.831 -9.484 8.998 1.00 1.64 O ATOM 505 OE2 GLU A 88 8.403 -8.734 10.976 1.00 1.54 O ATOM 0 H GLU A 88 7.061 -5.201 7.113 1.00 0.25 H new ATOM 0 HA GLU A 88 9.296 -4.834 8.946 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.394 -7.186 7.251 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.765 -7.219 8.343 1.00 0.42 H new ATOM 0 HG2 GLU A 88 8.050 -6.439 10.152 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.835 -6.974 9.008 1.00 0.52 H new ATOM 512 N LEU A 89 9.609 -4.376 5.843 1.00 0.34 N ATOM 513 CA LEU A 89 10.512 -4.062 4.753 1.00 0.35 C ATOM 514 C LEU A 89 10.993 -2.622 4.839 1.00 0.34 C ATOM 515 O LEU A 89 12.037 -2.273 4.287 1.00 0.38 O ATOM 516 CB LEU A 89 9.834 -4.306 3.409 1.00 0.33 C ATOM 517 CG LEU A 89 10.545 -5.304 2.505 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.037 -5.039 2.468 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.275 -6.716 2.963 1.00 0.37 C ATOM 0 H LEU A 89 8.642 -4.093 5.684 1.00 0.34 H new ATOM 0 HA LEU A 89 11.377 -4.719 4.837 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.819 -4.660 3.589 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.751 -3.355 2.882 1.00 0.33 H new ATOM 0 HG LEU A 89 10.153 -5.182 1.495 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.520 -5.766 1.815 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.219 -4.034 2.088 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.447 -5.126 3.474 1.00 0.32 H new ATOM 0 HD21 LEU A 89 10.791 -7.416 2.306 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.636 -6.843 3.984 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.203 -6.910 2.931 1.00 0.37 H new ATOM 531 N GLY A 90 10.234 -1.797 5.535 1.00 0.31 N ATOM 532 CA GLY A 90 10.616 -0.414 5.696 1.00 0.31 C ATOM 533 C GLY A 90 9.445 0.537 5.545 1.00 0.26 C ATOM 534 O GLY A 90 9.503 1.680 5.991 1.00 0.29 O ATOM 0 H GLY A 90 9.360 -2.059 5.992 1.00 0.31 H new ATOM 0 HA2 GLY A 90 11.065 -0.277 6.680 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.379 -0.164 4.959 1.00 0.31 H new ATOM 538 N GLY A 91 8.376 0.061 4.916 1.00 0.22 N ATOM 539 CA GLY A 91 7.200 0.890 4.715 1.00 0.18 C ATOM 540 C GLY A 91 6.092 0.547 5.702 1.00 0.14 C ATOM 541 O GLY A 91 6.387 0.070 6.798 1.00 0.16 O ATOM 0 H GLY A 91 8.302 -0.885 4.541 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.472 1.940 4.824 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.833 0.760 3.697 1.00 0.18 H new ATOM 545 N SER A 92 4.817 0.759 5.314 1.00 0.12 N ATOM 546 CA SER A 92 3.684 0.458 6.194 1.00 0.12 C ATOM 547 C SER A 92 2.335 0.840 5.570 1.00 0.11 C ATOM 548 O SER A 92 2.266 1.259 4.414 1.00 0.12 O ATOM 549 CB SER A 92 3.862 1.161 7.539 1.00 0.16 C ATOM 550 OG SER A 92 4.264 2.508 7.352 1.00 0.21 O ATOM 0 H SER A 92 4.554 1.135 4.403 1.00 0.12 H new ATOM 0 HA SER A 92 3.672 -0.622 6.344 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.927 1.130 8.098 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.607 0.633 8.135 1.00 0.16 H new ATOM 0 HG SER A 92 4.371 2.941 8.224 1.00 0.21 H new ATOM 556 N ILE A 93 1.266 0.625 6.337 1.00 0.14 N ATOM 557 CA ILE A 93 -0.094 0.978 5.922 1.00 0.13 C ATOM 558 C ILE A 93 -0.534 2.285 6.593 1.00 0.14 C ATOM 559 O ILE A 93 -0.125 2.583 7.714 1.00 0.25 O ATOM 560 CB ILE A 93 -1.104 -0.135 6.321 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.881 -1.421 5.538 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.532 0.325 6.108 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.043 -2.652 6.388 1.00 0.24 C ATOM 0 H ILE A 93 1.317 0.201 7.263 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.085 1.094 4.838 1.00 0.13 H new ATOM 0 HB ILE A 93 -0.934 -0.337 7.379 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.585 -1.463 4.707 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.120 -1.411 5.107 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.218 -0.472 6.395 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.725 1.207 6.719 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.682 0.572 5.057 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.873 -3.540 5.779 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.321 -2.628 7.204 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.053 -2.681 6.798 1.00 0.24 H new ATOM 575 N SER A 94 -1.337 3.071 5.888 1.00 0.09 N ATOM 576 CA SER A 94 -2.023 4.211 6.482 1.00 0.12 C ATOM 577 C SER A 94 -3.472 4.238 6.027 1.00 0.14 C ATOM 578 O SER A 94 -3.749 4.467 4.858 1.00 0.19 O ATOM 579 CB SER A 94 -1.351 5.526 6.089 1.00 0.15 C ATOM 580 OG SER A 94 0.036 5.506 6.386 1.00 0.17 O ATOM 0 H SER A 94 -1.530 2.938 4.895 1.00 0.09 H new ATOM 0 HA SER A 94 -1.974 4.103 7.566 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.494 5.706 5.023 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.826 6.352 6.618 1.00 0.15 H new ATOM 0 HG SER A 94 0.439 6.359 6.122 1.00 0.17 H new ATOM 586 N PHE A 95 -4.395 3.995 6.937 1.00 0.15 N ATOM 587 CA PHE A 95 -5.803 4.033 6.591 1.00 0.16 C ATOM 588 C PHE A 95 -6.389 5.404 6.854 1.00 0.18 C ATOM 589 O PHE A 95 -6.274 5.944 7.952 1.00 0.26 O ATOM 590 CB PHE A 95 -6.595 2.977 7.352 1.00 0.18 C ATOM 591 CG PHE A 95 -6.786 1.703 6.590 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.776 0.764 6.525 1.00 0.39 C ATOM 593 CD2 PHE A 95 -7.980 1.449 5.939 1.00 0.39 C ATOM 594 CE1 PHE A 95 -5.955 -0.414 5.826 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.167 0.275 5.240 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.152 -0.658 5.181 1.00 0.52 C ATOM 0 H PHE A 95 -4.199 3.771 7.913 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.878 3.815 5.526 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.083 2.756 8.289 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.572 3.385 7.611 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.837 0.952 7.025 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.775 2.179 5.979 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.160 -1.144 5.784 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.106 0.086 4.740 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.293 -1.577 4.632 1.00 0.52 H new ATOM 606 N LEU A 96 -6.995 5.963 5.831 1.00 0.16 N ATOM 607 CA LEU A 96 -7.687 7.227 5.935 1.00 0.18 C ATOM 608 C LEU A 96 -9.175 6.950 5.744 1.00 0.21 C ATOM 609 O LEU A 96 -9.742 7.185 4.670 1.00 0.23 O ATOM 610 CB LEU A 96 -7.176 8.234 4.883 1.00 0.20 C ATOM 611 CG LEU A 96 -5.643 8.414 4.772 1.00 0.21 C ATOM 612 CD1 LEU A 96 -5.001 8.599 6.136 1.00 0.70 C ATOM 613 CD2 LEU A 96 -5.001 7.249 4.037 1.00 0.79 C ATOM 0 H LEU A 96 -7.022 5.551 4.898 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.503 7.676 6.911 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.553 7.926 3.908 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.617 9.207 5.102 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.470 9.321 4.193 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.924 8.722 6.018 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.417 9.484 6.617 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.200 7.723 6.754 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.924 7.406 3.976 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.203 6.323 4.576 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.415 7.181 3.031 1.00 0.79 H new ATOM 625 N THR A 97 -9.795 6.415 6.793 1.00 0.24 N ATOM 626 CA THR A 97 -11.139 5.854 6.707 1.00 0.29 C ATOM 627 C THR A 97 -12.212 6.925 6.512 1.00 0.34 C ATOM 628 O THR A 97 -13.381 6.605 6.292 1.00 0.41 O ATOM 629 CB THR A 97 -11.458 5.026 7.965 1.00 0.33 C ATOM 630 OG1 THR A 97 -11.167 5.797 9.135 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.643 3.739 7.992 1.00 0.35 C ATOM 0 H THR A 97 -9.381 6.359 7.723 1.00 0.24 H new ATOM 0 HA THR A 97 -11.153 5.211 5.827 1.00 0.29 H new ATOM 0 HB THR A 97 -12.516 4.766 7.945 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.372 5.269 9.934 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.887 3.173 8.891 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.878 3.141 7.111 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.580 3.981 7.993 1.00 0.35 H new ATOM 639 N GLU A 98 -11.808 8.192 6.583 1.00 0.34 N ATOM 640 CA GLU A 98 -12.720 9.307 6.341 1.00 0.42 C ATOM 641 C GLU A 98 -13.373 9.194 4.970 1.00 0.38 C ATOM 642 O GLU A 98 -14.562 9.464 4.805 1.00 0.39 O ATOM 643 CB GLU A 98 -11.977 10.643 6.428 1.00 0.52 C ATOM 644 CG GLU A 98 -10.688 10.695 5.624 1.00 0.85 C ATOM 645 CD GLU A 98 -10.186 12.110 5.436 1.00 1.14 C ATOM 646 OE1 GLU A 98 -10.645 12.783 4.489 1.00 1.39 O ATOM 647 OE2 GLU A 98 -9.334 12.557 6.229 1.00 1.45 O ATOM 0 H GLU A 98 -10.853 8.472 6.807 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.492 9.267 7.110 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.639 11.437 6.083 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.748 10.851 7.473 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.923 10.104 6.129 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.852 10.237 4.648 1.00 0.85 H new ATOM 654 N THR A 99 -12.582 8.787 3.994 1.00 0.37 N ATOM 655 CA THR A 99 -13.033 8.727 2.621 1.00 0.37 C ATOM 656 C THR A 99 -12.910 7.303 2.077 1.00 0.34 C ATOM 657 O THR A 99 -13.557 6.939 1.094 1.00 0.55 O ATOM 658 CB THR A 99 -12.207 9.708 1.762 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.269 11.020 2.341 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.709 9.765 0.325 1.00 0.49 C ATOM 0 H THR A 99 -11.616 8.491 4.132 1.00 0.37 H new ATOM 0 HA THR A 99 -14.083 9.015 2.579 1.00 0.37 H new ATOM 0 HB THR A 99 -11.178 9.350 1.743 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.743 11.643 1.797 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.101 10.467 -0.245 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.638 8.775 -0.125 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.748 10.094 0.315 1.00 0.49 H new ATOM 668 N GLY A 100 -12.102 6.490 2.745 1.00 0.19 N ATOM 669 CA GLY A 100 -11.881 5.135 2.284 1.00 0.18 C ATOM 670 C GLY A 100 -10.586 5.005 1.524 1.00 0.16 C ATOM 671 O GLY A 100 -10.541 4.364 0.484 1.00 0.21 O ATOM 0 H GLY A 100 -11.598 6.744 3.595 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.870 4.458 3.138 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.709 4.829 1.645 1.00 0.18 H new ATOM 675 N VAL A 101 -9.548 5.666 2.008 1.00 0.13 N ATOM 676 CA VAL A 101 -8.255 5.613 1.357 1.00 0.14 C ATOM 677 C VAL A 101 -7.261 4.826 2.206 1.00 0.12 C ATOM 678 O VAL A 101 -7.257 4.943 3.429 1.00 0.23 O ATOM 679 CB VAL A 101 -7.696 7.029 1.121 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.439 6.972 0.273 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.738 7.931 0.479 1.00 0.23 C ATOM 0 H VAL A 101 -9.578 6.244 2.848 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.392 5.117 0.396 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.439 7.455 2.091 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -6.059 7.982 0.117 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.683 6.374 0.783 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.671 6.519 -0.691 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.315 8.924 0.325 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -9.040 7.512 -0.481 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.607 8.005 1.132 1.00 0.23 H new ATOM 691 N THR A 102 -6.440 4.026 1.555 1.00 0.10 N ATOM 692 CA THR A 102 -5.356 3.330 2.215 1.00 0.09 C ATOM 693 C THR A 102 -4.016 3.717 1.586 1.00 0.09 C ATOM 694 O THR A 102 -3.711 3.333 0.460 1.00 0.10 O ATOM 695 CB THR A 102 -5.531 1.805 2.131 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.780 1.429 2.714 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.406 1.103 2.873 1.00 0.12 C ATOM 0 H THR A 102 -6.506 3.841 0.554 1.00 0.10 H new ATOM 0 HA THR A 102 -5.371 3.624 3.264 1.00 0.09 H new ATOM 0 HB THR A 102 -5.509 1.511 1.082 1.00 0.10 H new ATOM 0 HG1 THR A 102 -7.486 2.023 2.385 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.543 0.024 2.805 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.450 1.376 2.427 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.417 1.405 3.920 1.00 0.12 H new ATOM 705 N MET A 103 -3.224 4.487 2.310 1.00 0.10 N ATOM 706 CA MET A 103 -1.909 4.883 1.825 1.00 0.10 C ATOM 707 C MET A 103 -0.856 3.842 2.201 1.00 0.10 C ATOM 708 O MET A 103 -0.501 3.707 3.370 1.00 0.13 O ATOM 709 CB MET A 103 -1.500 6.247 2.373 1.00 0.12 C ATOM 710 CG MET A 103 -1.837 7.414 1.461 1.00 0.20 C ATOM 711 SD MET A 103 -3.593 7.601 1.182 1.00 1.26 S ATOM 712 CE MET A 103 -3.684 9.325 0.700 1.00 1.19 C ATOM 0 H MET A 103 -3.464 4.851 3.232 1.00 0.10 H new ATOM 0 HA MET A 103 -1.972 4.952 0.739 1.00 0.10 H new ATOM 0 HB2 MET A 103 -1.989 6.400 3.335 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.426 6.244 2.558 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.444 8.333 1.896 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.336 7.276 0.503 1.00 0.20 H new ATOM 0 HE1 MET A 103 -4.378 9.850 1.357 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.696 9.778 0.780 1.00 1.19 H new ATOM 0 HE3 MET A 103 -4.034 9.397 -0.330 1.00 1.19 H new ATOM 722 N ILE A 104 -0.375 3.090 1.221 1.00 0.08 N ATOM 723 CA ILE A 104 0.688 2.120 1.467 1.00 0.08 C ATOM 724 C ILE A 104 2.039 2.716 1.160 1.00 0.08 C ATOM 725 O ILE A 104 2.348 3.013 0.015 1.00 0.12 O ATOM 726 CB ILE A 104 0.542 0.821 0.644 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.553 -0.056 1.228 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.859 0.048 0.578 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.924 0.294 0.725 1.00 0.10 C ATOM 0 H ILE A 104 -0.699 3.130 0.255 1.00 0.08 H new ATOM 0 HA ILE A 104 0.603 1.865 2.523 1.00 0.08 H new ATOM 0 HB ILE A 104 0.268 1.102 -0.373 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.341 -1.098 0.989 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.539 0.031 2.314 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.719 -0.860 -0.009 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.622 0.669 0.109 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.176 -0.217 1.587 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.659 -0.369 1.181 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.155 1.326 0.987 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.954 0.179 -0.359 1.00 0.10 H new ATOM 741 N GLU A 105 2.836 2.876 2.181 1.00 0.09 N ATOM 742 CA GLU A 105 4.190 3.327 2.005 1.00 0.10 C ATOM 743 C GLU A 105 5.112 2.125 1.834 1.00 0.10 C ATOM 744 O GLU A 105 5.115 1.231 2.670 1.00 0.13 O ATOM 745 CB GLU A 105 4.604 4.149 3.211 1.00 0.13 C ATOM 746 CG GLU A 105 4.709 5.622 2.905 1.00 0.19 C ATOM 747 CD GLU A 105 4.599 6.486 4.143 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.680 6.248 4.963 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.426 7.402 4.307 1.00 0.45 O ATOM 0 H GLU A 105 2.569 2.700 3.150 1.00 0.09 H new ATOM 0 HA GLU A 105 4.261 3.948 1.112 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.881 4.000 4.013 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.565 3.789 3.578 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.661 5.819 2.413 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.923 5.900 2.202 1.00 0.19 H new ATOM 756 N LEU A 106 5.855 2.086 0.738 1.00 0.12 N ATOM 757 CA LEU A 106 6.810 1.014 0.481 1.00 0.12 C ATOM 758 C LEU A 106 8.085 1.565 -0.125 1.00 0.16 C ATOM 759 O LEU A 106 8.065 2.214 -1.168 1.00 0.19 O ATOM 760 CB LEU A 106 6.201 -0.038 -0.448 1.00 0.12 C ATOM 761 CG LEU A 106 7.157 -1.157 -0.907 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.370 -2.388 -1.283 1.00 0.17 C ATOM 763 CD2 LEU A 106 7.997 -0.735 -2.110 1.00 0.16 C ATOM 0 H LEU A 106 5.815 2.793 0.003 1.00 0.12 H new ATOM 0 HA LEU A 106 7.052 0.543 1.434 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.352 -0.496 0.059 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.811 0.467 -1.332 1.00 0.12 H new ATOM 0 HG LEU A 106 7.825 -1.367 -0.072 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.054 -3.173 -1.606 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.802 -2.734 -0.420 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.684 -2.147 -2.096 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.656 -1.554 -2.399 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.340 -0.486 -2.943 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.596 0.137 -1.848 1.00 0.16 H new ATOM 775 N PRO A 107 9.218 1.291 0.506 1.00 0.17 N ATOM 776 CA PRO A 107 10.507 1.758 0.032 1.00 0.21 C ATOM 777 C PRO A 107 10.988 0.952 -1.150 1.00 0.25 C ATOM 778 O PRO A 107 10.799 -0.252 -1.209 1.00 0.20 O ATOM 779 CB PRO A 107 11.415 1.528 1.225 1.00 0.23 C ATOM 780 CG PRO A 107 10.828 0.351 1.908 1.00 0.21 C ATOM 781 CD PRO A 107 9.342 0.462 1.715 1.00 0.17 C ATOM 0 HA PRO A 107 10.477 2.793 -0.307 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.442 1.336 0.913 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.439 2.398 1.881 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.209 -0.578 1.483 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.085 0.346 2.967 1.00 0.21 H new ATOM 0 HD2 PRO A 107 8.880 -0.516 1.581 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.859 0.928 2.574 1.00 0.17 H new ATOM 789 N LYS A 108 11.636 1.603 -2.084 1.00 0.40 N ATOM 790 CA LYS A 108 12.145 0.909 -3.247 1.00 0.47 C ATOM 791 C LYS A 108 13.424 0.180 -2.888 1.00 0.50 C ATOM 792 O LYS A 108 14.098 -0.399 -3.738 1.00 0.59 O ATOM 793 CB LYS A 108 12.351 1.896 -4.373 1.00 0.62 C ATOM 794 CG LYS A 108 11.049 2.560 -4.754 1.00 0.69 C ATOM 795 CD LYS A 108 11.250 3.681 -5.743 1.00 0.99 C ATOM 796 CE LYS A 108 9.961 4.448 -5.934 1.00 0.68 C ATOM 797 NZ LYS A 108 10.085 5.494 -6.981 1.00 1.10 N ATOM 0 H LYS A 108 11.824 2.605 -2.065 1.00 0.40 H new ATOM 0 HA LYS A 108 11.426 0.163 -3.585 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.075 2.653 -4.070 1.00 0.62 H new ATOM 0 HB3 LYS A 108 12.769 1.383 -5.239 1.00 0.62 H new ATOM 0 HG2 LYS A 108 10.375 1.817 -5.181 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.566 2.950 -3.858 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.032 4.353 -5.388 1.00 0.99 H new ATOM 0 HD3 LYS A 108 11.586 3.277 -6.698 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.164 3.756 -6.206 1.00 0.68 H new ATOM 0 HE3 LYS A 108 9.672 4.912 -4.991 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.195 6.029 -7.044 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 10.861 6.141 -6.735 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 10.285 5.046 -7.898 1.00 1.10 H new ATOM 811 N THR A 109 13.730 0.217 -1.604 1.00 0.47 N ATOM 812 CA THR A 109 14.833 -0.528 -1.055 1.00 0.53 C ATOM 813 C THR A 109 14.378 -1.928 -0.638 1.00 0.46 C ATOM 814 O THR A 109 15.196 -2.775 -0.275 1.00 0.53 O ATOM 815 CB THR A 109 15.439 0.226 0.134 1.00 0.62 C ATOM 816 OG1 THR A 109 14.418 0.532 1.092 1.00 0.61 O ATOM 817 CG2 THR A 109 16.094 1.515 -0.343 1.00 0.72 C ATOM 0 H THR A 109 13.216 0.768 -0.916 1.00 0.47 H new ATOM 0 HA THR A 109 15.601 -0.636 -1.821 1.00 0.53 H new ATOM 0 HB THR A 109 16.193 -0.407 0.602 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.813 1.012 1.849 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.521 2.043 0.509 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.883 1.279 -1.057 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.347 2.147 -0.824 1.00 0.72 H new ATOM 825 N VAL A 110 13.059 -2.168 -0.688 1.00 0.34 N ATOM 826 CA VAL A 110 12.533 -3.522 -0.533 1.00 0.28 C ATOM 827 C VAL A 110 13.022 -4.383 -1.687 1.00 0.25 C ATOM 828 O VAL A 110 13.471 -3.867 -2.715 1.00 0.28 O ATOM 829 CB VAL A 110 10.985 -3.607 -0.513 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.368 -2.588 0.421 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.413 -3.469 -1.904 1.00 0.17 C ATOM 0 H VAL A 110 12.350 -1.449 -0.833 1.00 0.34 H new ATOM 0 HA VAL A 110 12.893 -3.870 0.435 1.00 0.28 H new ATOM 0 HB VAL A 110 10.729 -4.595 -0.131 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.283 -2.686 0.401 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.729 -2.758 1.435 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.647 -1.584 0.100 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.326 -3.533 -1.858 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.703 -2.505 -2.323 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.797 -4.270 -2.536 1.00 0.17 H new ATOM 841 N SER A 111 12.955 -5.686 -1.516 1.00 0.24 N ATOM 842 CA SER A 111 13.234 -6.590 -2.608 1.00 0.22 C ATOM 843 C SER A 111 12.174 -6.385 -3.693 1.00 0.17 C ATOM 844 O SER A 111 11.020 -6.115 -3.373 1.00 0.18 O ATOM 845 CB SER A 111 13.225 -8.022 -2.086 1.00 0.27 C ATOM 846 OG SER A 111 14.127 -8.157 -0.997 1.00 0.96 O ATOM 0 H SER A 111 12.711 -6.140 -0.636 1.00 0.24 H new ATOM 0 HA SER A 111 14.216 -6.392 -3.037 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.218 -8.294 -1.769 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.504 -8.709 -2.885 1.00 0.27 H new ATOM 0 HG SER A 111 14.110 -9.081 -0.671 1.00 0.96 H new ATOM 852 N GLU A 112 12.563 -6.485 -4.962 1.00 0.21 N ATOM 853 CA GLU A 112 11.644 -6.225 -6.076 1.00 0.26 C ATOM 854 C GLU A 112 10.345 -7.012 -5.923 1.00 0.24 C ATOM 855 O GLU A 112 9.276 -6.530 -6.279 1.00 0.28 O ATOM 856 CB GLU A 112 12.312 -6.581 -7.404 1.00 0.35 C ATOM 857 CG GLU A 112 11.415 -6.381 -8.614 1.00 0.46 C ATOM 858 CD GLU A 112 12.050 -6.886 -9.889 1.00 0.63 C ATOM 859 OE1 GLU A 112 12.136 -8.116 -10.067 1.00 0.80 O ATOM 860 OE2 GLU A 112 12.475 -6.051 -10.716 1.00 1.03 O ATOM 0 H GLU A 112 13.507 -6.744 -5.248 1.00 0.21 H new ATOM 0 HA GLU A 112 11.400 -5.163 -6.065 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.209 -5.973 -7.524 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.635 -7.622 -7.370 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.470 -6.899 -8.452 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.184 -5.321 -8.721 1.00 0.46 H new ATOM 867 N HIS A 113 10.454 -8.214 -5.384 1.00 0.23 N ATOM 868 CA HIS A 113 9.289 -9.043 -5.091 1.00 0.27 C ATOM 869 C HIS A 113 8.327 -8.306 -4.175 1.00 0.25 C ATOM 870 O HIS A 113 7.135 -8.224 -4.444 1.00 0.41 O ATOM 871 CB HIS A 113 9.723 -10.335 -4.414 1.00 0.32 C ATOM 872 CG HIS A 113 10.366 -11.329 -5.329 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.550 -12.652 -4.993 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.872 -11.185 -6.574 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.141 -13.276 -5.994 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.346 -12.411 -6.968 1.00 0.55 N ATOM 0 H HIS A 113 11.345 -8.644 -5.137 1.00 0.23 H new ATOM 0 HA HIS A 113 8.789 -9.270 -6.032 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.421 -10.094 -3.612 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.852 -10.798 -3.950 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.898 -10.273 -7.152 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.412 -14.321 -6.013 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.784 -12.619 -7.865 1.00 0.55 H new ATOM 885 N ASP A 114 8.866 -7.757 -3.102 1.00 0.23 N ATOM 886 CA ASP A 114 8.065 -7.052 -2.117 1.00 0.26 C ATOM 887 C ASP A 114 7.560 -5.739 -2.681 1.00 0.25 C ATOM 888 O ASP A 114 6.503 -5.259 -2.298 1.00 0.33 O ATOM 889 CB ASP A 114 8.875 -6.803 -0.841 1.00 0.31 C ATOM 890 CG ASP A 114 9.169 -8.085 -0.084 1.00 1.20 C ATOM 891 OD1 ASP A 114 10.163 -8.767 -0.421 1.00 2.05 O ATOM 892 OD2 ASP A 114 8.406 -8.427 0.839 1.00 1.13 O ATOM 0 H ASP A 114 9.863 -7.786 -2.889 1.00 0.23 H new ATOM 0 HA ASP A 114 7.207 -7.676 -1.867 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.814 -6.313 -1.099 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.327 -6.119 -0.193 1.00 0.31 H new ATOM 897 N MET A 115 8.307 -5.164 -3.602 1.00 0.23 N ATOM 898 CA MET A 115 7.893 -3.922 -4.224 1.00 0.23 C ATOM 899 C MET A 115 6.797 -4.188 -5.239 1.00 0.24 C ATOM 900 O MET A 115 5.687 -3.695 -5.112 1.00 0.47 O ATOM 901 CB MET A 115 9.079 -3.225 -4.897 1.00 0.20 C ATOM 902 CG MET A 115 8.731 -1.889 -5.540 1.00 0.22 C ATOM 903 SD MET A 115 10.131 -1.150 -6.406 1.00 0.22 S ATOM 904 CE MET A 115 10.390 -2.344 -7.717 1.00 1.62 C ATOM 0 H MET A 115 9.198 -5.533 -3.935 1.00 0.23 H new ATOM 0 HA MET A 115 7.507 -3.262 -3.447 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.862 -3.066 -4.156 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.491 -3.887 -5.659 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.909 -2.031 -6.241 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.380 -1.201 -4.771 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.941 -1.875 -8.532 1.00 1.62 H new ATOM 0 HE2 MET A 115 10.960 -3.189 -7.332 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.426 -2.695 -8.086 1.00 1.62 H new ATOM 914 N ASP A 116 7.102 -5.007 -6.224 1.00 0.15 N ATOM 915 CA ASP A 116 6.170 -5.267 -7.306 1.00 0.18 C ATOM 916 C ASP A 116 4.979 -6.068 -6.810 1.00 0.19 C ATOM 917 O ASP A 116 3.848 -5.602 -6.871 1.00 0.24 O ATOM 918 CB ASP A 116 6.860 -6.017 -8.443 1.00 0.23 C ATOM 919 CG ASP A 116 6.059 -5.992 -9.729 1.00 0.42 C ATOM 920 OD1 ASP A 116 4.985 -6.622 -9.789 1.00 0.64 O ATOM 921 OD2 ASP A 116 6.508 -5.337 -10.692 1.00 0.61 O ATOM 0 H ASP A 116 7.989 -5.506 -6.299 1.00 0.15 H new ATOM 0 HA ASP A 116 5.816 -4.307 -7.681 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.841 -5.576 -8.622 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.026 -7.052 -8.143 1.00 0.23 H new ATOM 926 N GLN A 117 5.250 -7.249 -6.269 1.00 0.17 N ATOM 927 CA GLN A 117 4.200 -8.211 -5.952 1.00 0.18 C ATOM 928 C GLN A 117 3.358 -7.806 -4.743 1.00 0.15 C ATOM 929 O GLN A 117 2.206 -8.212 -4.642 1.00 0.17 O ATOM 930 CB GLN A 117 4.795 -9.605 -5.743 1.00 0.23 C ATOM 931 CG GLN A 117 5.351 -10.228 -7.017 1.00 0.96 C ATOM 932 CD GLN A 117 4.270 -10.587 -8.024 1.00 1.67 C ATOM 933 OE1 GLN A 117 3.212 -9.961 -8.083 1.00 2.42 O ATOM 934 NE2 GLN A 117 4.526 -11.605 -8.827 1.00 2.30 N ATOM 0 H GLN A 117 6.192 -7.565 -6.039 1.00 0.17 H new ATOM 0 HA GLN A 117 3.527 -8.227 -6.809 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.591 -9.544 -5.001 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.027 -10.261 -5.333 1.00 0.23 H new ATOM 0 HG2 GLN A 117 6.053 -9.533 -7.478 1.00 0.96 H new ATOM 0 HG3 GLN A 117 5.913 -11.126 -6.760 1.00 0.96 H new ATOM 0 HE21 GLN A 117 5.413 -12.103 -8.752 1.00 2.30 H new ATOM 0 HE22 GLN A 117 3.837 -11.893 -9.522 1.00 2.30 H new ATOM 943 N LEU A 118 3.906 -7.015 -3.827 1.00 0.14 N ATOM 944 CA LEU A 118 3.119 -6.576 -2.680 1.00 0.13 C ATOM 945 C LEU A 118 2.297 -5.343 -3.019 1.00 0.12 C ATOM 946 O LEU A 118 1.163 -5.210 -2.568 1.00 0.13 O ATOM 947 CB LEU A 118 3.979 -6.331 -1.451 1.00 0.12 C ATOM 948 CG LEU A 118 4.464 -7.607 -0.750 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.436 -7.273 0.362 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.290 -8.395 -0.180 1.00 0.16 C ATOM 0 H LEU A 118 4.866 -6.672 -3.853 1.00 0.14 H new ATOM 0 HA LEU A 118 2.435 -7.389 -2.437 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.847 -5.739 -1.742 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.410 -5.734 -0.738 1.00 0.12 H new ATOM 0 HG LEU A 118 4.972 -8.219 -1.495 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.766 -8.193 0.845 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.298 -6.751 -0.053 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.944 -6.635 1.096 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.660 -9.295 0.312 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.756 -7.780 0.544 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.613 -8.675 -0.987 1.00 0.16 H new ATOM 962 N LEU A 119 2.851 -4.439 -3.818 1.00 0.13 N ATOM 963 CA LEU A 119 2.047 -3.340 -4.354 1.00 0.13 C ATOM 964 C LEU A 119 1.069 -3.889 -5.386 1.00 0.13 C ATOM 965 O LEU A 119 0.097 -3.239 -5.762 1.00 0.14 O ATOM 966 CB LEU A 119 2.919 -2.245 -4.981 1.00 0.14 C ATOM 967 CG LEU A 119 4.022 -1.682 -4.075 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.775 -0.555 -4.770 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.450 -1.219 -2.743 1.00 0.17 C ATOM 0 H LEU A 119 3.830 -4.440 -4.106 1.00 0.13 H new ATOM 0 HA LEU A 119 1.501 -2.884 -3.528 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.382 -2.645 -5.883 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.273 -1.424 -5.292 1.00 0.14 H new ATOM 0 HG LEU A 119 4.732 -2.483 -3.872 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.551 -0.173 -4.107 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.232 -0.933 -5.684 1.00 0.12 H new ATOM 0 HD13 LEU A 119 4.081 0.248 -5.017 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.253 -0.824 -2.120 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.709 -0.439 -2.917 1.00 0.17 H new ATOM 0 HD23 LEU A 119 2.978 -2.061 -2.237 1.00 0.17 H new ATOM 981 N HIS A 120 1.344 -5.103 -5.833 1.00 0.13 N ATOM 982 CA HIS A 120 0.461 -5.815 -6.742 1.00 0.13 C ATOM 983 C HIS A 120 -0.565 -6.610 -5.951 1.00 0.13 C ATOM 984 O HIS A 120 -1.635 -6.920 -6.458 1.00 0.14 O ATOM 985 CB HIS A 120 1.285 -6.755 -7.608 1.00 0.14 C ATOM 986 CG HIS A 120 0.578 -7.316 -8.810 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.908 -6.968 -10.100 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.416 -8.234 -8.919 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.155 -7.642 -10.946 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.658 -8.422 -10.258 1.00 0.34 N ATOM 0 H HIS A 120 2.184 -5.622 -5.577 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.061 -5.098 -7.376 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.174 -6.223 -7.947 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.627 -7.585 -6.989 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -0.924 -8.726 -8.103 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.196 -7.568 -12.023 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.350 -9.058 -10.654 1.00 0.34 H new ATOM 999 N ASP A 121 -0.226 -6.944 -4.706 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.171 -7.603 -3.800 1.00 0.12 C ATOM 1001 C ASP A 121 -2.332 -6.660 -3.605 1.00 0.11 C ATOM 1002 O ASP A 121 -3.485 -7.058 -3.451 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.523 -7.900 -2.445 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.301 -8.913 -1.628 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.127 -10.128 -1.866 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -2.061 -8.504 -0.729 1.00 0.42 O ATOM 0 H ASP A 121 0.694 -6.770 -4.301 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.493 -8.553 -4.227 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.489 -8.271 -2.606 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.437 -6.973 -1.878 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.975 -5.390 -3.636 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.920 -4.308 -3.655 1.00 0.10 C ATOM 1013 C ILE A 122 -3.895 -4.484 -4.814 1.00 0.10 C ATOM 1014 O ILE A 122 -5.106 -4.567 -4.618 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.169 -2.970 -3.789 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.149 -2.852 -2.657 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.135 -1.799 -3.785 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.420 -1.529 -2.599 1.00 0.10 C ATOM 0 H ILE A 122 -1.002 -5.084 -3.649 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.485 -4.308 -2.723 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.644 -2.947 -4.744 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.660 -3.012 -1.708 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.415 -3.651 -2.762 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.578 -0.867 -3.881 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.827 -1.895 -4.621 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.695 -1.792 -2.850 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.282 -1.537 -1.765 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.124 -1.372 -3.530 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.140 -0.723 -2.459 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.343 -4.593 -6.016 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.141 -4.761 -7.226 1.00 0.12 C ATOM 1032 C LEU A 123 -4.861 -6.104 -7.243 1.00 0.13 C ATOM 1033 O LEU A 123 -5.935 -6.235 -7.832 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.261 -4.643 -8.472 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.060 -3.226 -9.012 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.336 -2.357 -7.998 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.296 -3.268 -10.325 1.00 0.20 C ATOM 0 H LEU A 123 -2.337 -4.568 -6.180 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.889 -3.968 -7.230 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.283 -5.067 -8.245 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.698 -5.254 -9.262 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.040 -2.785 -9.193 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.205 -1.355 -8.405 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -2.923 -2.302 -7.081 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.360 -2.790 -7.779 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.159 -2.253 -10.699 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.322 -3.730 -10.164 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.858 -3.851 -11.055 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.257 -7.098 -6.605 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.867 -8.412 -6.454 1.00 0.16 C ATOM 1051 C ALA A 124 -6.194 -8.288 -5.726 1.00 0.17 C ATOM 1052 O ALA A 124 -7.126 -9.063 -5.943 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.931 -9.334 -5.684 1.00 0.17 C ATOM 0 H ALA A 124 -3.334 -7.017 -6.179 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.046 -8.836 -7.442 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.394 -10.315 -5.575 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -2.991 -9.435 -6.227 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.736 -8.913 -4.697 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.272 -7.265 -4.896 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.434 -7.008 -4.081 1.00 0.14 C ATOM 1061 C ALA A 125 -8.310 -5.964 -4.738 1.00 0.14 C ATOM 1062 O ALA A 125 -9.295 -5.504 -4.167 1.00 0.20 O ATOM 1063 CB ALA A 125 -6.985 -6.546 -2.713 1.00 0.15 C ATOM 0 H ALA A 125 -5.521 -6.586 -4.771 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.019 -7.922 -3.975 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.858 -6.350 -2.091 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.376 -7.322 -2.249 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.397 -5.633 -2.812 1.00 0.15 H new ATOM 1069 N GLY A 126 -7.921 -5.576 -5.938 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.640 -4.560 -6.659 1.00 0.16 C ATOM 1071 C GLY A 126 -8.199 -3.177 -6.246 1.00 0.15 C ATOM 1072 O GLY A 126 -8.629 -2.179 -6.821 1.00 0.21 O ATOM 0 H GLY A 126 -7.110 -5.953 -6.428 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.481 -4.690 -7.730 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.709 -4.672 -6.479 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.327 -3.140 -5.247 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.806 -1.897 -4.732 1.00 0.16 C ATOM 1078 C GLY A 127 -6.055 -1.118 -5.783 1.00 0.19 C ATOM 1079 O GLY A 127 -5.174 -1.653 -6.458 1.00 0.35 O ATOM 0 H GLY A 127 -6.967 -3.971 -4.778 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.627 -1.291 -4.350 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.143 -2.103 -3.891 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.409 0.141 -5.930 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.807 0.983 -6.944 1.00 0.22 C ATOM 1085 C VAL A 128 -4.661 1.793 -6.368 1.00 0.18 C ATOM 1086 O VAL A 128 -4.764 2.345 -5.277 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.852 1.915 -7.576 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.835 1.102 -8.398 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.577 2.713 -6.503 1.00 0.64 C ATOM 0 H VAL A 128 -7.114 0.606 -5.358 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.411 0.331 -7.722 1.00 0.22 H new ATOM 0 HB VAL A 128 -6.344 2.621 -8.233 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.574 1.767 -8.844 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -7.300 0.573 -9.187 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.338 0.380 -7.754 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -8.313 3.367 -6.971 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -8.081 2.030 -5.820 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.857 3.315 -5.948 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.568 1.861 -7.105 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.360 2.489 -6.603 1.00 0.20 C ATOM 1101 C VAL A 129 -2.144 3.876 -7.206 1.00 0.23 C ATOM 1102 O VAL A 129 -2.035 4.037 -8.425 1.00 0.32 O ATOM 1103 CB VAL A 129 -1.126 1.595 -6.855 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.231 0.325 -6.030 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.977 1.251 -8.330 1.00 0.31 C ATOM 0 H VAL A 129 -3.492 1.490 -8.052 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.488 2.612 -5.528 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.239 2.152 -6.553 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.357 -0.301 -6.213 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.279 0.582 -4.972 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -2.132 -0.219 -6.312 1.00 0.21 H new ATOM 0 HG21 VAL A 129 -0.099 0.621 -8.470 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.864 0.717 -8.671 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.861 2.168 -8.908 1.00 0.31 H new ATOM 1115 N GLY A 130 -2.121 4.880 -6.342 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.800 6.226 -6.770 1.00 0.36 C ATOM 1117 C GLY A 130 -0.564 6.739 -6.065 1.00 0.44 C ATOM 1118 O GLY A 130 -0.378 6.482 -4.878 1.00 0.85 O ATOM 0 H GLY A 130 -2.320 4.785 -5.346 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.640 6.240 -7.848 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.641 6.887 -6.564 1.00 0.36 H new ATOM 1122 N LEU A 131 0.280 7.459 -6.776 1.00 0.32 N ATOM 1123 CA LEU A 131 1.546 7.911 -6.217 1.00 0.33 C ATOM 1124 C LEU A 131 1.352 9.127 -5.318 1.00 0.32 C ATOM 1125 O LEU A 131 1.114 10.235 -5.797 1.00 0.45 O ATOM 1126 CB LEU A 131 2.556 8.238 -7.330 1.00 0.37 C ATOM 1127 CG LEU A 131 3.150 7.036 -8.083 1.00 0.46 C ATOM 1128 CD1 LEU A 131 3.776 6.044 -7.113 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.104 6.351 -8.950 1.00 1.17 C ATOM 0 H LEU A 131 0.116 7.745 -7.741 1.00 0.32 H new ATOM 0 HA LEU A 131 1.943 7.095 -5.613 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.068 8.889 -8.055 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.376 8.807 -6.892 1.00 0.37 H new ATOM 0 HG LEU A 131 3.932 7.414 -8.741 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.189 5.203 -7.669 1.00 0.97 H new ATOM 0 HD12 LEU A 131 4.572 6.535 -6.553 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.016 5.683 -6.421 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.558 5.506 -9.468 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.287 5.996 -8.322 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.717 7.060 -9.682 1.00 1.17 H new ATOM 1141 N ASP A 132 1.430 8.904 -4.011 1.00 0.24 N ATOM 1142 CA ASP A 132 1.469 9.999 -3.050 1.00 0.23 C ATOM 1143 C ASP A 132 2.813 10.671 -3.164 1.00 0.39 C ATOM 1144 O ASP A 132 2.927 11.889 -3.305 1.00 0.90 O ATOM 1145 CB ASP A 132 1.327 9.489 -1.616 1.00 0.25 C ATOM 1146 CG ASP A 132 0.506 10.421 -0.751 1.00 0.65 C ATOM 1147 OD1 ASP A 132 1.037 11.470 -0.332 1.00 0.98 O ATOM 1148 OD2 ASP A 132 -0.663 10.103 -0.465 1.00 1.06 O ATOM 0 H ASP A 132 1.467 7.974 -3.593 1.00 0.24 H new ATOM 0 HA ASP A 132 0.646 10.680 -3.266 1.00 0.23 H new ATOM 0 HB2 ASP A 132 0.861 8.504 -1.628 1.00 0.25 H new ATOM 0 HB3 ASP A 132 2.317 9.368 -1.177 1.00 0.25 H new ATOM 1153 N SER A 133 3.827 9.824 -3.125 1.00 0.55 N ATOM 1154 CA SER A 133 5.210 10.234 -3.073 1.00 0.69 C ATOM 1155 C SER A 133 6.099 9.008 -3.065 1.00 0.56 C ATOM 1156 O SER A 133 5.781 8.020 -2.404 1.00 0.87 O ATOM 1157 CB SER A 133 5.458 11.040 -1.806 1.00 0.95 C ATOM 1158 OG SER A 133 5.165 12.410 -2.004 1.00 1.30 O ATOM 0 H SER A 133 3.704 8.811 -3.129 1.00 0.55 H new ATOM 0 HA SER A 133 5.436 10.847 -3.945 1.00 0.69 H new ATOM 0 HB2 SER A 133 4.843 10.647 -0.996 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.498 10.929 -1.499 1.00 0.95 H new ATOM 0 HG SER A 133 4.495 12.502 -2.713 1.00 1.30 H new ATOM 1164 N GLU A 134 7.199 9.053 -3.792 1.00 0.53 N ATOM 1165 CA GLU A 134 8.138 7.954 -3.763 1.00 0.56 C ATOM 1166 C GLU A 134 9.108 8.152 -2.613 1.00 0.58 C ATOM 1167 O GLU A 134 9.455 9.285 -2.304 1.00 1.01 O ATOM 1168 CB GLU A 134 8.866 7.800 -5.096 1.00 0.88 C ATOM 1169 CG GLU A 134 9.849 8.907 -5.415 1.00 0.95 C ATOM 1170 CD GLU A 134 10.622 8.624 -6.681 1.00 1.45 C ATOM 1171 OE1 GLU A 134 11.538 7.774 -6.643 1.00 1.85 O ATOM 1172 OE2 GLU A 134 10.303 9.227 -7.725 1.00 1.80 O ATOM 0 H GLU A 134 7.460 9.828 -4.401 1.00 0.53 H new ATOM 0 HA GLU A 134 7.589 7.026 -3.604 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.399 6.849 -5.095 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.126 7.750 -5.894 1.00 0.88 H new ATOM 0 HG2 GLU A 134 9.313 9.850 -5.520 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.544 9.026 -4.584 1.00 0.95 H new ATOM 1179 N VAL A 135 9.505 7.033 -1.990 1.00 0.43 N ATOM 1180 CA VAL A 135 10.279 7.007 -0.736 1.00 0.38 C ATOM 1181 C VAL A 135 10.125 8.286 0.097 1.00 0.42 C ATOM 1182 O VAL A 135 10.867 9.249 -0.083 1.00 0.52 O ATOM 1183 CB VAL A 135 11.778 6.708 -0.967 1.00 0.46 C ATOM 1184 CG1 VAL A 135 11.989 5.215 -1.165 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.332 7.477 -2.159 1.00 0.62 C ATOM 0 H VAL A 135 9.294 6.102 -2.349 1.00 0.43 H new ATOM 0 HA VAL A 135 9.849 6.185 -0.164 1.00 0.38 H new ATOM 0 HB VAL A 135 12.320 7.037 -0.081 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.048 5.016 -1.327 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.650 4.679 -0.278 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.420 4.879 -2.032 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.388 7.239 -2.287 1.00 0.62 H new ATOM 0 HG22 VAL A 135 11.785 7.196 -3.059 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.220 8.547 -1.985 1.00 0.62 H new ATOM 1195 N LYS A 136 9.187 8.227 1.052 1.00 0.40 N ATOM 1196 CA LYS A 136 8.813 9.342 1.934 1.00 0.50 C ATOM 1197 C LYS A 136 9.044 10.720 1.325 1.00 0.54 C ATOM 1198 O LYS A 136 9.881 11.496 1.785 1.00 0.52 O ATOM 1199 CB LYS A 136 9.426 9.211 3.332 1.00 0.60 C ATOM 1200 CG LYS A 136 10.617 8.276 3.420 1.00 0.59 C ATOM 1201 CD LYS A 136 11.870 8.856 2.791 1.00 1.23 C ATOM 1202 CE LYS A 136 12.200 10.213 3.382 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.449 10.780 2.813 1.00 1.86 N ATOM 0 H LYS A 136 8.652 7.379 1.238 1.00 0.40 H new ATOM 0 HA LYS A 136 7.732 9.261 2.051 1.00 0.50 H new ATOM 0 HB2 LYS A 136 9.732 10.200 3.673 1.00 0.60 H new ATOM 0 HB3 LYS A 136 8.656 8.861 4.020 1.00 0.60 H new ATOM 0 HG2 LYS A 136 10.815 8.046 4.467 1.00 0.59 H new ATOM 0 HG3 LYS A 136 10.371 7.335 2.927 1.00 0.59 H new ATOM 0 HD2 LYS A 136 12.707 8.175 2.946 1.00 1.23 H new ATOM 0 HD3 LYS A 136 11.730 8.949 1.714 1.00 1.23 H new ATOM 0 HE2 LYS A 136 11.374 10.899 3.197 1.00 1.54 H new ATOM 0 HE3 LYS A 136 12.303 10.122 4.463 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.637 11.707 3.244 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 14.243 10.138 3.011 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 13.342 10.892 1.785 1.00 1.86 H new ATOM 1217 N LEU A 137 8.281 10.984 0.271 1.00 0.75 N ATOM 1218 CA LEU A 137 8.238 12.288 -0.383 1.00 0.97 C ATOM 1219 C LEU A 137 9.598 12.681 -0.940 1.00 2.07 C ATOM 1220 O LEU A 137 10.315 13.513 -0.377 1.00 2.44 O ATOM 1221 CB LEU A 137 7.665 13.372 0.546 1.00 1.16 C ATOM 1222 CG LEU A 137 6.184 13.188 0.940 1.00 1.32 C ATOM 1223 CD1 LEU A 137 6.041 12.170 2.059 1.00 2.13 C ATOM 1224 CD2 LEU A 137 5.576 14.520 1.350 1.00 2.33 C ATOM 0 H LEU A 137 7.668 10.292 -0.159 1.00 0.75 H new ATOM 0 HA LEU A 137 7.558 12.202 -1.230 1.00 0.97 H new ATOM 0 HB2 LEU A 137 8.265 13.402 1.456 1.00 1.16 H new ATOM 0 HB3 LEU A 137 7.777 14.341 0.059 1.00 1.16 H new ATOM 0 HG LEU A 137 5.645 12.811 0.071 1.00 1.32 H new ATOM 0 HD11 LEU A 137 4.988 12.059 2.318 1.00 2.13 H new ATOM 0 HD12 LEU A 137 6.437 11.209 1.730 1.00 2.13 H new ATOM 0 HD13 LEU A 137 6.595 12.510 2.934 1.00 2.13 H new ATOM 0 HD21 LEU A 137 4.531 14.374 1.625 1.00 2.33 H new ATOM 0 HD22 LEU A 137 6.123 14.922 2.203 1.00 2.33 H new ATOM 0 HD23 LEU A 137 5.637 15.220 0.517 1.00 2.33 H new ATOM 1236 N ALA A 138 9.957 12.024 -2.033 1.00 2.90 N ATOM 1237 CA ALA A 138 11.166 12.334 -2.769 1.00 4.17 C ATOM 1238 C ALA A 138 10.821 13.209 -3.966 1.00 4.92 C ATOM 1239 O ALA A 138 10.989 14.442 -3.875 1.00 5.35 O ATOM 1240 CB ALA A 138 11.857 11.049 -3.220 1.00 4.91 C ATOM 1241 OXT ALA A 138 10.336 12.665 -4.980 1.00 5.38 O ATOM 0 H ALA A 138 9.414 11.259 -2.433 1.00 2.90 H new ATOM 0 HA ALA A 138 11.854 12.877 -2.121 1.00 4.17 H new ATOM 0 HB1 ALA A 138 12.764 11.298 -3.772 1.00 4.91 H new ATOM 0 HB2 ALA A 138 12.116 10.450 -2.347 1.00 4.91 H new ATOM 0 HB3 ALA A 138 11.185 10.481 -3.864 1.00 4.91 H new TER 1247 ALA A 138