USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 Single : A 90 GLN :FLIP amide:sc= -0.464 F(o=-2!,f=-0.46) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= -0.119 (180deg=-0.711) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= -0.31 (180deg=-0.31) USER MOD Single : A 98 CYS SG : rot -160:sc= -0.919 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 5:sc= -2.61! USER MOD Single : A 127 TYR OH : rot 180:sc= -0.0421 USER MOD Single : A 128 THR OG1 : rot 124:sc= -1.84! USER MOD Single : A 130 TYR OH : rot -139:sc= 1.31 USER MOD Single : A 132 ASN : amide:sc= -0.0839 K(o=-0.084,f=-3.6) USER MOD Single : A 136 GLN : amide:sc= -1.39 K(o=-1.4,f=-7!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0819 F(o=-0.83,f=-0.082) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.00343 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 -3.987 9.187 -8.770 1.00 7.42 N ATOM 2 CA GLN A 90 -2.613 9.601 -8.511 1.00 8.00 C ATOM 3 C GLN A 90 -2.337 9.649 -7.012 1.00 8.02 C ATOM 4 O GLN A 90 -1.460 8.944 -6.510 1.00 8.02 O ATOM 5 CB GLN A 90 -2.346 10.974 -9.137 1.00 8.61 C ATOM 6 CG GLN A 90 -0.955 11.517 -8.855 1.00 9.27 C ATOM 7 CD GLN A 90 -0.930 12.494 -7.693 1.00 9.99 C ATOM 8 OE1 GLN A 90 -2.011 13.249 -7.527 1.00 10.31 O flip ATOM 9 NE2 GLN A 90 0.051 12.571 -6.953 1.00 10.47 N flip ATOM 0 HA GLN A 90 -1.945 8.868 -8.963 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -2.487 10.905 -10.216 1.00 8.61 H new ATOM 0 HB3 GLN A 90 -3.085 11.683 -8.764 1.00 8.61 H new ATOM 0 HG2 GLN A 90 -0.282 10.687 -8.640 1.00 9.27 H new ATOM 0 HG3 GLN A 90 -0.575 12.012 -9.749 1.00 9.27 H new ATOM 0 HE21 GLN A 90 0.861 11.973 -7.116 1.00 10.47 H new ATOM 0 HE22 GLN A 90 0.054 13.233 -6.177 1.00 10.47 H new ATOM 18 N GLN A 91 -3.093 10.481 -6.303 1.00 8.30 N ATOM 19 CA GLN A 91 -2.934 10.618 -4.860 1.00 8.58 C ATOM 20 C GLN A 91 -3.370 9.343 -4.145 1.00 7.86 C ATOM 21 O GLN A 91 -4.410 8.767 -4.465 1.00 7.55 O ATOM 22 CB GLN A 91 -3.745 11.809 -4.344 1.00 9.49 C ATOM 23 CG GLN A 91 -5.179 11.832 -4.848 1.00 9.88 C ATOM 24 CD GLN A 91 -5.945 13.048 -4.368 1.00 10.82 C ATOM 25 OE1 GLN A 91 -6.751 12.964 -3.441 1.00 11.18 O ATOM 26 NE2 GLN A 91 -5.697 14.191 -4.999 1.00 11.40 N ATOM 0 H GLN A 91 -3.822 11.071 -6.705 1.00 8.30 H new ATOM 0 HA GLN A 91 -1.878 10.791 -4.650 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -3.752 11.789 -3.254 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -3.249 12.733 -4.642 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -5.178 11.815 -5.938 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -5.692 10.929 -4.516 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -5.021 14.216 -5.762 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -6.183 15.043 -4.720 1.00 11.40 H new ATOM 35 N TRP A 92 -2.567 8.904 -3.182 1.00 7.74 N ATOM 36 CA TRP A 92 -2.868 7.691 -2.428 1.00 7.12 C ATOM 37 C TRP A 92 -3.715 8.002 -1.198 1.00 7.81 C ATOM 38 O TRP A 92 -3.403 8.911 -0.429 1.00 8.60 O ATOM 39 CB TRP A 92 -1.573 6.994 -2.008 1.00 6.73 C ATOM 40 CG TRP A 92 -0.714 6.595 -3.167 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.552 7.031 -3.438 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.057 5.682 -4.215 1.00 5.26 C ATOM 43 NE1 TRP A 92 1.015 6.443 -4.590 1.00 5.95 N ATOM 44 CE2 TRP A 92 0.046 5.610 -5.086 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.193 4.915 -4.502 1.00 4.81 C ATOM 46 CZ2 TRP A 92 0.049 4.804 -6.221 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.188 4.117 -5.630 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.075 4.066 -6.477 1.00 4.18 C ATOM 0 H TRP A 92 -1.703 9.369 -2.905 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.439 7.026 -3.076 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.006 7.658 -1.356 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.819 6.107 -1.424 1.00 6.73 H new ATOM 0 HD1 TRP A 92 1.107 7.734 -2.835 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.932 6.601 -5.009 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.056 4.947 -3.854 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.907 4.763 -6.876 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.059 3.522 -5.862 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.104 3.431 -7.350 1.00 4.18 H new ATOM 59 N LYS A 93 -4.788 7.238 -1.020 1.00 7.67 N ATOM 60 CA LYS A 93 -5.687 7.424 0.115 1.00 8.46 C ATOM 61 C LYS A 93 -6.263 6.089 0.574 1.00 8.08 C ATOM 62 O LYS A 93 -6.017 5.051 -0.044 1.00 7.25 O ATOM 63 CB LYS A 93 -6.820 8.382 -0.255 1.00 9.25 C ATOM 64 CG LYS A 93 -6.370 9.825 -0.415 1.00 10.03 C ATOM 65 CD LYS A 93 -6.126 10.486 0.931 1.00 10.80 C ATOM 66 CE LYS A 93 -5.952 11.989 0.789 1.00 11.72 C ATOM 67 NZ LYS A 93 -7.145 12.630 0.173 1.00 12.39 N ATOM 0 H LYS A 93 -5.057 6.482 -1.649 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.113 7.854 0.936 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.278 8.048 -1.186 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -7.591 8.334 0.514 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -5.456 9.858 -1.009 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -7.127 10.384 -0.964 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -6.963 10.277 1.597 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -5.236 10.057 1.392 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -5.770 12.428 1.770 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -5.073 12.197 0.179 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -7.164 13.639 0.422 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -7.098 12.530 -0.861 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -8.008 12.169 0.526 1.00 12.39 H new ATOM 81 N VAL A 94 -7.033 6.120 1.658 1.00 8.81 N ATOM 82 CA VAL A 94 -7.645 4.910 2.191 1.00 8.73 C ATOM 83 C VAL A 94 -8.663 4.338 1.213 1.00 8.69 C ATOM 84 O VAL A 94 -9.533 5.055 0.718 1.00 9.36 O ATOM 85 CB VAL A 94 -8.341 5.171 3.540 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.571 3.867 4.284 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.527 6.140 4.385 1.00 10.15 C ATOM 0 H VAL A 94 -7.247 6.968 2.182 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.839 4.192 2.343 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.312 5.626 3.343 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.064 4.072 5.234 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.201 3.211 3.683 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.614 3.380 4.469 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.036 6.311 5.334 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.540 5.718 4.573 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.422 7.086 3.854 1.00 10.15 H new ATOM 97 N GLY A 95 -8.545 3.045 0.934 1.00 8.04 N ATOM 98 CA GLY A 95 -9.458 2.400 0.011 1.00 8.20 C ATOM 99 C GLY A 95 -9.133 2.721 -1.434 1.00 7.64 C ATOM 100 O GLY A 95 -9.840 3.495 -2.080 1.00 8.10 O ATOM 0 H GLY A 95 -7.833 2.432 1.331 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.420 1.321 0.159 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.478 2.716 0.231 1.00 8.20 H new ATOM 104 N ASP A 96 -8.058 2.126 -1.941 1.00 6.70 N ATOM 105 CA ASP A 96 -7.634 2.349 -3.318 1.00 6.20 C ATOM 106 C ASP A 96 -6.864 1.145 -3.848 1.00 5.53 C ATOM 107 O ASP A 96 -5.982 0.613 -3.173 1.00 4.92 O ATOM 108 CB ASP A 96 -6.765 3.606 -3.410 1.00 5.87 C ATOM 109 CG ASP A 96 -7.566 4.836 -3.790 1.00 6.35 C ATOM 110 OD1 ASP A 96 -8.490 4.710 -4.622 1.00 6.81 O ATOM 111 OD2 ASP A 96 -7.272 5.926 -3.254 1.00 6.44 O ATOM 0 H ASP A 96 -7.463 1.484 -1.417 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.525 2.488 -3.930 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.275 3.777 -2.451 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.977 3.447 -4.147 1.00 5.87 H new ATOM 116 N LYS A 97 -7.206 0.716 -5.059 1.00 5.83 N ATOM 117 CA LYS A 97 -6.549 -0.428 -5.678 1.00 5.62 C ATOM 118 C LYS A 97 -5.173 -0.046 -6.212 1.00 4.80 C ATOM 119 O LYS A 97 -5.057 0.767 -7.131 1.00 4.86 O ATOM 120 CB LYS A 97 -7.411 -0.985 -6.814 1.00 6.55 C ATOM 121 CG LYS A 97 -8.455 -1.988 -6.351 1.00 7.39 C ATOM 122 CD LYS A 97 -7.811 -3.236 -5.770 1.00 7.70 C ATOM 123 CE LYS A 97 -8.808 -4.378 -5.667 1.00 8.21 C ATOM 124 NZ LYS A 97 -8.146 -5.662 -5.307 1.00 9.10 N ATOM 0 H LYS A 97 -7.934 1.144 -5.630 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.422 -1.196 -4.915 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.912 -0.158 -7.317 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.763 -1.461 -7.550 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -9.097 -1.526 -5.601 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.093 -2.264 -7.191 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -6.972 -3.539 -6.396 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -7.408 -3.013 -4.782 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -9.562 -4.136 -4.918 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -9.329 -4.492 -6.618 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.860 -6.416 -5.247 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -7.445 -5.907 -6.035 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -7.670 -5.561 -4.388 1.00 9.10 H new ATOM 138 N CYS A 98 -4.133 -0.635 -5.630 1.00 4.16 N ATOM 139 CA CYS A 98 -2.763 -0.356 -6.047 1.00 3.60 C ATOM 140 C CYS A 98 -1.956 -1.647 -6.165 1.00 3.78 C ATOM 141 O CYS A 98 -2.521 -2.732 -6.305 1.00 4.46 O ATOM 142 CB CYS A 98 -2.091 0.597 -5.055 1.00 2.97 C ATOM 143 SG CYS A 98 -1.656 -0.170 -3.476 1.00 2.58 S ATOM 0 H CYS A 98 -4.213 -1.309 -4.868 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.796 0.118 -7.028 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.188 1.002 -5.511 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.758 1.438 -4.867 1.00 2.97 H new ATOM 0 HG CYS A 98 -1.495 0.753 -2.575 1.00 2.58 H new ATOM 149 N SER A 99 -0.634 -1.523 -6.104 1.00 3.54 N ATOM 150 CA SER A 99 0.249 -2.681 -6.200 1.00 4.08 C ATOM 151 C SER A 99 1.426 -2.544 -5.242 1.00 3.73 C ATOM 152 O SER A 99 1.916 -1.443 -4.995 1.00 3.54 O ATOM 153 CB SER A 99 0.761 -2.841 -7.633 1.00 5.02 C ATOM 154 OG SER A 99 -0.278 -3.260 -8.503 1.00 5.76 O ATOM 0 H SER A 99 -0.150 -0.632 -5.989 1.00 3.54 H new ATOM 0 HA SER A 99 -0.322 -3.567 -5.925 1.00 4.08 H new ATOM 0 HB2 SER A 99 1.173 -1.894 -7.983 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.572 -3.569 -7.653 1.00 5.02 H new ATOM 0 HG SER A 99 0.075 -3.353 -9.413 1.00 5.76 H new ATOM 160 N ALA A 100 1.878 -3.673 -4.702 1.00 3.97 N ATOM 161 CA ALA A 100 2.998 -3.678 -3.769 1.00 3.95 C ATOM 162 C ALA A 100 3.862 -4.919 -3.954 1.00 4.93 C ATOM 163 O ALA A 100 3.383 -5.960 -4.406 1.00 5.47 O ATOM 164 CB ALA A 100 2.492 -3.595 -2.337 1.00 3.19 C ATOM 0 H ALA A 100 1.485 -4.594 -4.895 1.00 3.97 H new ATOM 0 HA ALA A 100 3.615 -2.804 -3.977 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.339 -3.600 -1.651 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.923 -2.675 -2.205 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.851 -4.451 -2.128 1.00 3.19 H new ATOM 170 N ILE A 101 5.138 -4.804 -3.602 1.00 5.36 N ATOM 171 CA ILE A 101 6.069 -5.918 -3.729 1.00 6.34 C ATOM 172 C ILE A 101 6.136 -6.727 -2.438 1.00 6.26 C ATOM 173 O ILE A 101 6.025 -6.176 -1.343 1.00 5.81 O ATOM 174 CB ILE A 101 7.486 -5.431 -4.095 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.411 -4.285 -5.106 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.316 -6.580 -4.649 1.00 8.16 C ATOM 177 CD1 ILE A 101 7.921 -2.966 -4.567 1.00 7.47 C ATOM 0 H ILE A 101 5.551 -3.950 -3.226 1.00 5.36 H new ATOM 0 HA ILE A 101 5.695 -6.552 -4.533 1.00 6.34 H new ATOM 0 HB ILE A 101 7.971 -5.062 -3.191 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.988 -4.554 -5.991 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.376 -4.161 -5.426 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.313 -6.220 -4.902 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.394 -7.367 -3.899 1.00 8.16 H new ATOM 0 HG23 ILE A 101 7.836 -6.978 -5.543 1.00 8.16 H new ATOM 0 HD11 ILE A 101 7.837 -2.201 -5.339 1.00 7.47 H new ATOM 0 HD12 ILE A 101 7.328 -2.674 -3.700 1.00 7.47 H new ATOM 0 HD13 ILE A 101 8.965 -3.072 -4.273 1.00 7.47 H new ATOM 189 N TRP A 102 6.315 -8.037 -2.575 1.00 6.86 N ATOM 190 CA TRP A 102 6.392 -8.924 -1.420 1.00 6.96 C ATOM 191 C TRP A 102 7.839 -9.114 -0.977 1.00 7.60 C ATOM 192 O TRP A 102 8.763 -9.034 -1.787 1.00 8.38 O ATOM 193 CB TRP A 102 5.766 -10.281 -1.751 1.00 7.61 C ATOM 194 CG TRP A 102 5.134 -10.959 -0.571 1.00 7.54 C ATOM 195 CD1 TRP A 102 4.878 -10.414 0.657 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.678 -12.315 -0.508 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.293 -11.349 1.476 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.159 -12.524 0.784 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.657 -13.374 -1.421 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.626 -13.746 1.184 1.00 8.82 C ATOM 201 CZ3 TRP A 102 4.129 -14.587 -1.023 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.619 -14.764 0.270 1.00 9.73 C ATOM 0 H TRP A 102 6.409 -8.508 -3.475 1.00 6.86 H new ATOM 0 HA TRP A 102 5.837 -8.465 -0.602 1.00 6.96 H new ATOM 0 HB2 TRP A 102 5.012 -10.144 -2.526 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.534 -10.934 -2.165 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.103 -9.397 0.941 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.005 -11.194 2.442 1.00 7.22 H new ATOM 0 HE3 TRP A 102 5.047 -13.246 -2.420 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.232 -13.886 2.180 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 4.109 -15.412 -1.720 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.212 -15.724 0.551 1.00 9.73 H new ATOM 213 N SER A 103 8.028 -9.370 0.314 1.00 7.36 N ATOM 214 CA SER A 103 9.362 -9.573 0.869 1.00 8.04 C ATOM 215 C SER A 103 9.735 -11.052 0.862 1.00 8.76 C ATOM 216 O SER A 103 10.761 -11.445 1.414 1.00 9.24 O ATOM 217 CB SER A 103 9.436 -9.021 2.293 1.00 7.63 C ATOM 218 OG SER A 103 8.983 -7.680 2.346 1.00 7.51 O ATOM 0 H SER A 103 7.273 -9.442 0.996 1.00 7.36 H new ATOM 0 HA SER A 103 10.074 -9.035 0.243 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.831 -9.639 2.957 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.463 -9.075 2.654 1.00 7.63 H new ATOM 0 HG SER A 103 9.039 -7.352 3.268 1.00 7.51 H new ATOM 224 N GLU A 104 8.892 -11.866 0.234 1.00 8.96 N ATOM 225 CA GLU A 104 9.132 -13.303 0.156 1.00 9.78 C ATOM 226 C GLU A 104 9.935 -13.654 -1.094 1.00 10.72 C ATOM 227 O GLU A 104 11.038 -14.192 -1.003 1.00 11.50 O ATOM 228 CB GLU A 104 7.805 -14.063 0.156 1.00 9.65 C ATOM 229 CG GLU A 104 7.445 -14.658 1.507 1.00 9.77 C ATOM 230 CD GLU A 104 8.316 -15.843 1.876 1.00 10.55 C ATOM 231 OE1 GLU A 104 7.960 -16.981 1.503 1.00 10.99 O ATOM 232 OE2 GLU A 104 9.354 -15.634 2.537 1.00 10.87 O ATOM 0 H GLU A 104 8.037 -11.555 -0.228 1.00 8.96 H new ATOM 0 HA GLU A 104 9.711 -13.598 1.031 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.009 -13.388 -0.158 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.854 -14.863 -0.583 1.00 9.65 H new ATOM 0 HG2 GLU A 104 7.540 -13.890 2.274 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.401 -14.970 1.495 1.00 9.77 H new ATOM 239 N ASP A 105 9.374 -13.349 -2.260 1.00 10.68 N ATOM 240 CA ASP A 105 10.040 -13.633 -3.526 1.00 11.61 C ATOM 241 C ASP A 105 10.468 -12.344 -4.220 1.00 11.51 C ATOM 242 O ASP A 105 11.222 -12.373 -5.193 1.00 12.31 O ATOM 243 CB ASP A 105 9.116 -14.437 -4.442 1.00 12.02 C ATOM 244 CG ASP A 105 9.866 -15.485 -5.244 1.00 12.58 C ATOM 245 OD1 ASP A 105 11.069 -15.280 -5.509 1.00 12.80 O ATOM 246 OD2 ASP A 105 9.249 -16.509 -5.606 1.00 12.93 O ATOM 0 H ASP A 105 8.460 -12.905 -2.354 1.00 10.68 H new ATOM 0 HA ASP A 105 10.933 -14.221 -3.313 1.00 11.61 H new ATOM 0 HB2 ASP A 105 8.348 -14.924 -3.842 1.00 12.02 H new ATOM 0 HB3 ASP A 105 8.605 -13.758 -5.125 1.00 12.02 H new ATOM 251 N GLY A 106 9.982 -11.216 -3.712 1.00 10.59 N ATOM 252 CA GLY A 106 10.327 -9.930 -4.293 1.00 10.51 C ATOM 253 C GLY A 106 9.631 -9.682 -5.618 1.00 10.58 C ATOM 254 O GLY A 106 10.279 -9.377 -6.618 1.00 11.27 O ATOM 0 H GLY A 106 9.355 -11.169 -2.909 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.062 -9.137 -3.594 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.406 -9.879 -4.439 1.00 10.51 H new ATOM 258 N CYS A 107 8.306 -9.812 -5.625 1.00 9.96 N ATOM 259 CA CYS A 107 7.524 -9.598 -6.839 1.00 10.08 C ATOM 260 C CYS A 107 6.322 -8.700 -6.558 1.00 9.03 C ATOM 261 O CYS A 107 5.898 -8.555 -5.413 1.00 8.22 O ATOM 262 CB CYS A 107 7.054 -10.935 -7.413 1.00 10.82 C ATOM 263 SG CYS A 107 8.370 -11.919 -8.168 1.00 12.07 S ATOM 0 H CYS A 107 7.753 -10.064 -4.806 1.00 9.96 H new ATOM 0 HA CYS A 107 8.163 -9.104 -7.571 1.00 10.08 H new ATOM 0 HB2 CYS A 107 6.591 -11.517 -6.616 1.00 10.82 H new ATOM 0 HB3 CYS A 107 6.282 -10.746 -8.159 1.00 10.82 H new ATOM 0 HG CYS A 107 7.874 -13.032 -8.622 1.00 12.07 H new ATOM 269 N ILE A 108 5.781 -8.094 -7.610 1.00 9.09 N ATOM 270 CA ILE A 108 4.633 -7.203 -7.475 1.00 8.18 C ATOM 271 C ILE A 108 3.314 -7.969 -7.553 1.00 8.20 C ATOM 272 O ILE A 108 3.105 -8.776 -8.458 1.00 9.05 O ATOM 273 CB ILE A 108 4.639 -6.105 -8.558 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.076 -5.741 -8.941 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.888 -4.876 -8.069 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.449 -6.163 -10.346 1.00 9.51 C ATOM 0 H ILE A 108 6.119 -8.203 -8.566 1.00 9.09 H new ATOM 0 HA ILE A 108 4.718 -6.738 -6.493 1.00 8.18 H new ATOM 0 HB ILE A 108 4.134 -6.488 -9.445 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.207 -4.663 -8.846 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.762 -6.209 -8.235 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.901 -4.110 -8.844 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.857 -5.146 -7.843 1.00 7.33 H new ATOM 0 HG23 ILE A 108 4.368 -4.490 -7.169 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.480 -5.874 -10.551 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.350 -7.244 -10.440 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.786 -5.675 -11.061 1.00 9.51 H new ATOM 288 N TYR A 109 2.428 -7.701 -6.597 1.00 7.40 N ATOM 289 CA TYR A 109 1.121 -8.352 -6.548 1.00 7.58 C ATOM 290 C TYR A 109 0.029 -7.338 -6.208 1.00 6.75 C ATOM 291 O TYR A 109 0.283 -6.363 -5.498 1.00 5.79 O ATOM 292 CB TYR A 109 1.118 -9.474 -5.507 1.00 7.78 C ATOM 293 CG TYR A 109 2.224 -10.489 -5.691 1.00 8.74 C ATOM 294 CD1 TYR A 109 2.244 -11.329 -6.797 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.253 -10.602 -4.764 1.00 9.05 C ATOM 296 CE1 TYR A 109 3.255 -12.255 -6.973 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.269 -11.524 -4.933 1.00 9.98 C ATOM 298 CZ TYR A 109 4.254 -12.360 -6.021 1.00 10.60 C ATOM 299 OH TYR A 109 5.273 -13.267 -6.213 1.00 11.54 O ATOM 0 H TYR A 109 2.592 -7.035 -5.843 1.00 7.40 H new ATOM 0 HA TYR A 109 0.919 -8.777 -7.531 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.205 -9.034 -4.514 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.158 -9.988 -5.545 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.456 -11.257 -7.532 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.259 -9.958 -3.897 1.00 9.05 H new ATOM 0 HE1 TYR A 109 3.265 -12.891 -7.846 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.071 -11.586 -4.212 1.00 9.98 H new ATOM 0 HH TYR A 109 5.898 -13.222 -5.459 1.00 11.54 H new ATOM 309 N PRO A 110 -1.205 -7.548 -6.706 1.00 7.22 N ATOM 310 CA PRO A 110 -2.324 -6.639 -6.437 1.00 6.71 C ATOM 311 C PRO A 110 -2.596 -6.497 -4.943 1.00 6.03 C ATOM 312 O PRO A 110 -2.484 -7.462 -4.188 1.00 6.34 O ATOM 313 CB PRO A 110 -3.520 -7.296 -7.138 1.00 7.77 C ATOM 314 CG PRO A 110 -3.101 -8.700 -7.420 1.00 8.66 C ATOM 315 CD PRO A 110 -1.606 -8.678 -7.558 1.00 8.42 C ATOM 0 HA PRO A 110 -2.118 -5.630 -6.795 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -4.407 -7.272 -6.505 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -3.772 -6.770 -8.059 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.407 -9.366 -6.613 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -3.570 -9.069 -8.332 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.157 -9.613 -7.223 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -1.300 -8.530 -8.593 1.00 8.42 H new ATOM 323 N ALA A 111 -2.950 -5.284 -4.521 1.00 5.22 N ATOM 324 CA ALA A 111 -3.232 -5.022 -3.115 1.00 4.71 C ATOM 325 C ALA A 111 -4.268 -3.914 -2.951 1.00 4.65 C ATOM 326 O ALA A 111 -4.682 -3.285 -3.926 1.00 4.72 O ATOM 327 CB ALA A 111 -1.950 -4.657 -2.382 1.00 3.76 C ATOM 0 H ALA A 111 -3.047 -4.472 -5.131 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.645 -5.932 -2.681 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -2.173 -4.464 -1.333 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -1.241 -5.482 -2.456 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.516 -3.764 -2.831 1.00 3.76 H new ATOM 333 N THR A 112 -4.682 -3.683 -1.708 1.00 4.78 N ATOM 334 CA THR A 112 -5.672 -2.655 -1.405 1.00 5.14 C ATOM 335 C THR A 112 -5.282 -1.871 -0.155 1.00 4.91 C ATOM 336 O THR A 112 -5.156 -2.438 0.930 1.00 5.15 O ATOM 337 CB THR A 112 -7.069 -3.268 -1.206 1.00 6.32 C ATOM 338 OG1 THR A 112 -7.323 -4.252 -2.216 1.00 6.81 O ATOM 339 CG2 THR A 112 -8.145 -2.194 -1.259 1.00 6.83 C ATOM 0 H THR A 112 -4.346 -4.196 -0.893 1.00 4.78 H new ATOM 0 HA THR A 112 -5.702 -1.977 -2.258 1.00 5.14 H new ATOM 0 HB THR A 112 -7.095 -3.740 -0.224 1.00 6.32 H new ATOM 0 HG1 THR A 112 -8.214 -4.638 -2.080 1.00 6.81 H new ATOM 0 HG21 THR A 112 -9.124 -2.652 -1.116 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.968 -1.462 -0.471 1.00 6.83 H new ATOM 0 HG23 THR A 112 -8.115 -1.697 -2.229 1.00 6.83 H new ATOM 347 N ILE A 113 -5.086 -0.564 -0.317 1.00 4.70 N ATOM 348 CA ILE A 113 -4.703 0.302 0.796 1.00 4.93 C ATOM 349 C ILE A 113 -5.795 0.361 1.861 1.00 6.00 C ATOM 350 O ILE A 113 -6.895 0.848 1.611 1.00 6.70 O ATOM 351 CB ILE A 113 -4.398 1.734 0.313 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.326 1.710 -0.779 1.00 4.08 C ATOM 353 CG2 ILE A 113 -3.952 2.606 1.477 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.711 2.489 -2.017 1.00 4.34 C ATOM 0 H ILE A 113 -5.186 -0.081 -1.210 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.803 -0.131 1.232 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.310 2.160 -0.105 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.399 2.117 -0.376 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -3.125 0.676 -1.058 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.741 3.613 1.117 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.743 2.646 2.225 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.052 2.184 1.923 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.906 2.430 -2.749 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.621 2.068 -2.444 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.884 3.532 -1.752 1.00 4.34 H new ATOM 366 N ALA A 114 -5.480 -0.152 3.047 1.00 6.19 N ATOM 367 CA ALA A 114 -6.434 -0.168 4.151 1.00 7.25 C ATOM 368 C ALA A 114 -6.255 1.033 5.077 1.00 7.83 C ATOM 369 O ALA A 114 -7.234 1.583 5.578 1.00 8.77 O ATOM 370 CB ALA A 114 -6.308 -1.465 4.934 1.00 7.35 C ATOM 0 H ALA A 114 -4.572 -0.562 3.268 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.435 -0.103 3.723 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -7.025 -1.465 5.755 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.511 -2.309 4.275 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.298 -1.552 5.334 1.00 7.35 H new ATOM 376 N SER A 115 -5.009 1.431 5.312 1.00 7.42 N ATOM 377 CA SER A 115 -4.728 2.564 6.190 1.00 8.19 C ATOM 378 C SER A 115 -3.431 3.263 5.793 1.00 7.84 C ATOM 379 O SER A 115 -2.521 2.643 5.243 1.00 6.96 O ATOM 380 CB SER A 115 -4.643 2.095 7.643 1.00 8.69 C ATOM 381 OG SER A 115 -4.634 3.197 8.536 1.00 9.20 O ATOM 0 H SER A 115 -4.182 0.990 4.910 1.00 7.42 H new ATOM 0 HA SER A 115 -5.545 3.279 6.088 1.00 8.19 H new ATOM 0 HB2 SER A 115 -5.490 1.447 7.869 1.00 8.69 H new ATOM 0 HB3 SER A 115 -3.740 1.501 7.784 1.00 8.69 H new ATOM 0 HG SER A 115 -4.581 2.870 9.458 1.00 9.20 H new ATOM 387 N ILE A 116 -3.358 4.561 6.075 1.00 8.68 N ATOM 388 CA ILE A 116 -2.175 5.355 5.749 1.00 8.72 C ATOM 389 C ILE A 116 -1.815 6.296 6.892 1.00 9.82 C ATOM 390 O ILE A 116 -2.694 6.817 7.580 1.00 10.64 O ATOM 391 CB ILE A 116 -2.392 6.194 4.474 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.719 5.290 3.289 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.165 7.043 4.174 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.159 6.056 2.060 1.00 7.79 C ATOM 0 H ILE A 116 -4.105 5.087 6.529 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.361 4.650 5.582 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.237 6.862 4.643 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -1.841 4.693 3.042 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.507 4.594 3.577 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.339 7.627 3.270 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -0.975 7.716 5.010 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.301 6.395 4.026 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.377 5.356 1.253 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.055 6.632 2.292 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -2.363 6.732 1.748 1.00 7.79 H new ATOM 406 N ASP A 117 -0.519 6.520 7.083 1.00 9.92 N ATOM 407 CA ASP A 117 -0.048 7.413 8.133 1.00 11.01 C ATOM 408 C ASP A 117 0.914 8.449 7.565 1.00 11.42 C ATOM 409 O ASP A 117 1.812 8.118 6.789 1.00 11.09 O ATOM 410 CB ASP A 117 0.635 6.616 9.247 1.00 11.04 C ATOM 411 CG ASP A 117 0.299 7.148 10.627 1.00 11.32 C ATOM 412 OD1 ASP A 117 0.081 8.372 10.755 1.00 11.56 O ATOM 413 OD2 ASP A 117 0.257 6.343 11.580 1.00 11.44 O ATOM 0 H ASP A 117 0.222 6.096 6.525 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.910 7.932 8.551 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.333 5.571 9.180 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.715 6.646 9.102 1.00 11.04 H new ATOM 418 N PHE A 118 0.719 9.705 7.955 1.00 12.23 N ATOM 419 CA PHE A 118 1.566 10.795 7.482 1.00 12.79 C ATOM 420 C PHE A 118 2.650 11.133 8.501 1.00 13.61 C ATOM 421 O PHE A 118 3.262 12.200 8.440 1.00 14.24 O ATOM 422 CB PHE A 118 0.719 12.033 7.186 1.00 13.45 C ATOM 423 CG PHE A 118 -0.280 11.824 6.082 1.00 12.78 C ATOM 424 CD1 PHE A 118 0.129 11.785 4.759 1.00 12.45 C ATOM 425 CD2 PHE A 118 -1.627 11.663 6.370 1.00 12.56 C ATOM 426 CE1 PHE A 118 -0.787 11.589 3.742 1.00 11.89 C ATOM 427 CE2 PHE A 118 -2.547 11.468 5.357 1.00 12.01 C ATOM 428 CZ PHE A 118 -2.127 11.431 4.042 1.00 11.67 C ATOM 0 H PHE A 118 -0.019 9.993 8.598 1.00 12.23 H new ATOM 0 HA PHE A 118 2.054 10.468 6.564 1.00 12.79 H new ATOM 0 HB2 PHE A 118 0.191 12.328 8.093 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.378 12.859 6.918 1.00 13.45 H new ATOM 0 HD1 PHE A 118 1.175 11.909 4.519 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -1.961 11.690 7.397 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -0.456 11.559 2.714 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -3.593 11.345 5.594 1.00 12.01 H new ATOM 0 HZ PHE A 118 -2.844 11.279 3.249 1.00 11.67 H new ATOM 438 N LYS A 119 2.888 10.216 9.434 1.00 13.66 N ATOM 439 CA LYS A 119 3.903 10.417 10.461 1.00 14.45 C ATOM 440 C LYS A 119 5.258 9.907 9.984 1.00 14.19 C ATOM 441 O LYS A 119 6.210 10.675 9.847 1.00 14.83 O ATOM 442 CB LYS A 119 3.502 9.705 11.754 1.00 14.52 C ATOM 443 CG LYS A 119 3.090 10.651 12.870 1.00 15.42 C ATOM 444 CD LYS A 119 4.258 11.477 13.357 1.00 16.01 C ATOM 445 CE LYS A 119 4.154 11.776 14.843 1.00 16.53 C ATOM 446 NZ LYS A 119 3.722 13.177 15.099 1.00 16.87 N ATOM 0 H LYS A 119 2.392 9.327 9.499 1.00 13.66 H new ATOM 0 HA LYS A 119 3.982 11.486 10.657 1.00 14.45 H new ATOM 0 HB2 LYS A 119 2.677 9.025 11.543 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.338 9.095 12.097 1.00 14.52 H new ATOM 0 HG2 LYS A 119 2.299 11.312 12.515 1.00 15.42 H new ATOM 0 HG3 LYS A 119 2.677 10.078 13.700 1.00 15.42 H new ATOM 0 HD2 LYS A 119 5.188 10.945 13.157 1.00 16.01 H new ATOM 0 HD3 LYS A 119 4.300 12.413 12.800 1.00 16.01 H new ATOM 0 HE2 LYS A 119 3.445 11.088 15.303 1.00 16.53 H new ATOM 0 HE3 LYS A 119 5.120 11.602 15.317 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 3.663 13.340 16.124 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 4.412 13.835 14.682 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 2.788 13.336 14.669 1.00 16.87 H new ATOM 460 N ARG A 120 5.334 8.606 9.726 1.00 13.31 N ATOM 461 CA ARG A 120 6.569 7.987 9.256 1.00 13.08 C ATOM 462 C ARG A 120 6.453 7.617 7.782 1.00 12.15 C ATOM 463 O ARG A 120 7.196 6.771 7.283 1.00 11.68 O ATOM 464 CB ARG A 120 6.888 6.741 10.084 1.00 12.82 C ATOM 465 CG ARG A 120 7.621 7.044 11.380 1.00 13.39 C ATOM 466 CD ARG A 120 9.090 6.665 11.291 1.00 13.47 C ATOM 467 NE ARG A 120 9.750 7.293 10.150 1.00 14.06 N ATOM 468 CZ ARG A 120 10.973 6.975 9.737 1.00 14.44 C ATOM 469 NH1 ARG A 120 11.669 6.039 10.371 1.00 14.31 N ATOM 470 NH2 ARG A 120 11.504 7.592 8.690 1.00 15.09 N ATOM 0 H ARG A 120 4.554 7.958 9.835 1.00 13.31 H new ATOM 0 HA ARG A 120 7.380 8.706 9.374 1.00 13.08 H new ATOM 0 HB2 ARG A 120 5.959 6.221 10.315 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.493 6.061 9.484 1.00 12.82 H new ATOM 0 HG2 ARG A 120 7.531 8.106 11.610 1.00 13.39 H new ATOM 0 HG3 ARG A 120 7.153 6.499 12.200 1.00 13.39 H new ATOM 0 HD2 ARG A 120 9.597 6.960 12.210 1.00 13.47 H new ATOM 0 HD3 ARG A 120 9.180 5.582 11.211 1.00 13.47 H new ATOM 0 HE ARG A 120 9.244 8.017 9.641 1.00 14.06 H new ATOM 0 HH11 ARG A 120 11.266 5.562 11.177 1.00 14.31 H new ATOM 0 HH12 ARG A 120 12.607 5.797 10.052 1.00 14.31 H new ATOM 0 HH21 ARG A 120 10.974 8.312 8.200 1.00 15.09 H new ATOM 0 HH22 ARG A 120 12.443 7.346 8.375 1.00 15.09 H new ATOM 484 N GLU A 121 5.513 8.262 7.095 1.00 11.98 N ATOM 485 CA GLU A 121 5.285 8.009 5.676 1.00 11.15 C ATOM 486 C GLU A 121 5.146 6.513 5.412 1.00 10.00 C ATOM 487 O GLU A 121 6.009 5.899 4.781 1.00 9.65 O ATOM 488 CB GLU A 121 6.432 8.585 4.843 1.00 11.64 C ATOM 489 CG GLU A 121 5.978 9.212 3.537 1.00 12.24 C ATOM 490 CD GLU A 121 7.130 9.762 2.719 1.00 13.04 C ATOM 491 OE1 GLU A 121 8.167 9.073 2.617 1.00 13.61 O ATOM 492 OE2 GLU A 121 6.997 10.881 2.181 1.00 13.22 O ATOM 0 H GLU A 121 4.896 8.966 7.500 1.00 11.98 H new ATOM 0 HA GLU A 121 4.356 8.500 5.385 1.00 11.15 H new ATOM 0 HB2 GLU A 121 6.958 9.335 5.433 1.00 11.64 H new ATOM 0 HB3 GLU A 121 7.147 7.791 4.626 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.443 8.467 2.948 1.00 12.24 H new ATOM 0 HG3 GLU A 121 5.273 10.016 3.750 1.00 12.24 H new ATOM 499 N THR A 122 4.057 5.930 5.902 1.00 9.51 N ATOM 500 CA THR A 122 3.808 4.505 5.722 1.00 8.44 C ATOM 501 C THR A 122 2.358 4.242 5.339 1.00 7.82 C ATOM 502 O THR A 122 1.536 5.157 5.307 1.00 8.35 O ATOM 503 CB THR A 122 4.136 3.711 7.000 1.00 8.64 C ATOM 504 OG1 THR A 122 3.254 4.101 8.059 1.00 9.57 O ATOM 505 CG2 THR A 122 5.578 3.939 7.426 1.00 8.95 C ATOM 0 H THR A 122 3.334 6.422 6.426 1.00 9.51 H new ATOM 0 HA THR A 122 4.461 4.173 4.915 1.00 8.44 H new ATOM 0 HB THR A 122 4.001 2.651 6.786 1.00 8.64 H new ATOM 0 HG1 THR A 122 3.468 3.590 8.868 1.00 9.57 H new ATOM 0 HG21 THR A 122 5.785 3.367 8.331 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.248 3.614 6.630 1.00 8.95 H new ATOM 0 HG23 THR A 122 5.736 4.999 7.623 1.00 8.95 H new ATOM 513 N CYS A 123 2.054 2.980 5.048 1.00 6.82 N ATOM 514 CA CYS A 123 0.705 2.585 4.664 1.00 6.32 C ATOM 515 C CYS A 123 0.572 1.066 4.659 1.00 5.48 C ATOM 516 O CYS A 123 1.440 0.363 4.143 1.00 5.04 O ATOM 517 CB CYS A 123 0.362 3.143 3.283 1.00 5.96 C ATOM 518 SG CYS A 123 1.740 3.106 2.112 1.00 5.05 S ATOM 0 H CYS A 123 2.726 2.213 5.071 1.00 6.82 H new ATOM 0 HA CYS A 123 0.007 2.994 5.395 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.469 2.573 2.868 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.019 4.172 3.393 1.00 5.96 H new ATOM 0 HG CYS A 123 2.754 2.499 2.654 1.00 5.05 H new ATOM 524 N VAL A 124 -0.520 0.567 5.227 1.00 5.51 N ATOM 525 CA VAL A 124 -0.764 -0.870 5.278 1.00 5.03 C ATOM 526 C VAL A 124 -1.561 -1.325 4.061 1.00 4.47 C ATOM 527 O VAL A 124 -2.578 -0.725 3.715 1.00 4.86 O ATOM 528 CB VAL A 124 -1.518 -1.267 6.562 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.910 -2.737 6.528 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.673 -0.964 7.791 1.00 6.50 C ATOM 0 H VAL A 124 -1.249 1.135 5.658 1.00 5.51 H new ATOM 0 HA VAL A 124 0.208 -1.364 5.278 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.432 -0.676 6.618 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.441 -2.993 7.445 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.557 -2.921 5.670 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -1.013 -3.351 6.444 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.221 -1.251 8.689 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.259 -1.527 7.739 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.451 0.103 7.826 1.00 6.50 H new ATOM 540 N VAL A 125 -1.091 -2.386 3.415 1.00 3.79 N ATOM 541 CA VAL A 125 -1.760 -2.915 2.235 1.00 3.55 C ATOM 542 C VAL A 125 -2.117 -4.387 2.409 1.00 4.11 C ATOM 543 O VAL A 125 -1.367 -5.153 3.018 1.00 4.19 O ATOM 544 CB VAL A 125 -0.888 -2.752 0.972 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.495 -1.296 0.780 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.348 -3.636 1.053 1.00 2.61 C ATOM 0 H VAL A 125 -0.251 -2.895 3.689 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.677 -2.339 2.112 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.474 -3.066 0.108 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.120 -1.200 -0.115 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.393 -0.688 0.671 1.00 2.53 H new ATOM 0 HG13 VAL A 125 0.071 -0.955 1.647 1.00 2.53 H new ATOM 0 HG21 VAL A 125 0.948 -3.505 0.153 1.00 2.61 H new ATOM 0 HG22 VAL A 125 0.938 -3.357 1.926 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.044 -4.679 1.138 1.00 2.61 H new ATOM 556 N VAL A 126 -3.263 -4.775 1.864 1.00 4.74 N ATOM 557 CA VAL A 126 -3.724 -6.154 1.947 1.00 5.60 C ATOM 558 C VAL A 126 -3.664 -6.820 0.578 1.00 5.78 C ATOM 559 O VAL A 126 -4.145 -6.267 -0.411 1.00 5.73 O ATOM 560 CB VAL A 126 -5.167 -6.238 2.483 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.590 -7.687 2.662 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.293 -5.473 3.791 1.00 6.75 C ATOM 0 H VAL A 126 -3.892 -4.151 1.358 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.062 -6.673 2.640 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.833 -5.779 1.752 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.611 -7.724 3.041 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.540 -8.202 1.702 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -4.922 -8.176 3.371 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.318 -5.542 4.156 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.615 -5.901 4.530 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.036 -4.426 3.627 1.00 6.75 H new ATOM 572 N TYR A 127 -3.070 -8.007 0.522 1.00 6.19 N ATOM 573 CA TYR A 127 -2.952 -8.739 -0.733 1.00 6.72 C ATOM 574 C TYR A 127 -4.292 -9.348 -1.127 1.00 7.79 C ATOM 575 O TYR A 127 -5.004 -9.901 -0.289 1.00 8.59 O ATOM 576 CB TYR A 127 -1.889 -9.831 -0.612 1.00 7.03 C ATOM 577 CG TYR A 127 -0.471 -9.309 -0.708 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.084 -8.553 0.316 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.313 -9.578 -1.822 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.379 -8.077 0.232 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.610 -9.108 -1.914 1.00 5.99 C ATOM 582 CZ TYR A 127 2.137 -8.359 -0.884 1.00 5.42 C ATOM 583 OH TYR A 127 3.428 -7.887 -0.973 1.00 5.31 O ATOM 0 H TYR A 127 -2.664 -8.481 1.329 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.649 -8.040 -1.512 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -2.015 -10.345 0.341 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -2.049 -10.571 -1.396 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.506 -8.333 1.193 1.00 5.71 H new ATOM 0 HD2 TYR A 127 -0.097 -10.165 -2.631 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.794 -7.488 1.036 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.206 -9.326 -2.787 1.00 5.99 H new ATOM 0 HH TYR A 127 3.824 -8.175 -1.822 1.00 5.31 H new ATOM 593 N THR A 128 -4.631 -9.236 -2.406 1.00 7.86 N ATOM 594 CA THR A 128 -5.887 -9.764 -2.922 1.00 8.91 C ATOM 595 C THR A 128 -6.067 -11.238 -2.573 1.00 9.91 C ATOM 596 O THR A 128 -6.658 -11.577 -1.547 1.00 10.27 O ATOM 597 CB THR A 128 -5.967 -9.600 -4.451 1.00 8.84 C ATOM 598 OG1 THR A 128 -4.684 -9.845 -5.036 1.00 7.77 O ATOM 599 CG2 THR A 128 -6.439 -8.202 -4.817 1.00 9.50 C ATOM 0 H THR A 128 -4.048 -8.781 -3.109 1.00 7.86 H new ATOM 0 HA THR A 128 -6.685 -9.191 -2.450 1.00 8.91 H new ATOM 0 HB THR A 128 -6.685 -10.323 -4.838 1.00 8.84 H new ATOM 0 HG1 THR A 128 -4.761 -10.554 -5.708 1.00 7.77 H new ATOM 0 HG21 THR A 128 -6.489 -8.107 -5.902 1.00 9.50 H new ATOM 0 HG22 THR A 128 -7.428 -8.029 -4.392 1.00 9.50 H new ATOM 0 HG23 THR A 128 -5.740 -7.466 -4.420 1.00 9.50 H new ATOM 607 N GLY A 129 -5.561 -12.110 -3.437 1.00 10.49 N ATOM 608 CA GLY A 129 -5.679 -13.537 -3.212 1.00 11.51 C ATOM 609 C GLY A 129 -4.969 -13.994 -1.953 1.00 11.53 C ATOM 610 O GLY A 129 -5.578 -14.619 -1.083 1.00 12.41 O ATOM 0 H GLY A 129 -5.069 -11.852 -4.293 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -6.734 -13.804 -3.146 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -5.268 -14.071 -4.069 1.00 11.51 H new ATOM 614 N TYR A 130 -3.679 -13.684 -1.861 1.00 10.62 N ATOM 615 CA TYR A 130 -2.874 -14.069 -0.706 1.00 10.62 C ATOM 616 C TYR A 130 -3.578 -13.716 0.603 1.00 10.60 C ATOM 617 O TYR A 130 -3.598 -14.511 1.542 1.00 11.27 O ATOM 618 CB TYR A 130 -1.505 -13.388 -0.767 1.00 9.73 C ATOM 619 CG TYR A 130 -0.776 -13.618 -2.072 1.00 10.03 C ATOM 620 CD1 TYR A 130 -0.091 -14.804 -2.308 1.00 10.64 C ATOM 621 CD2 TYR A 130 -0.777 -12.651 -3.070 1.00 9.83 C ATOM 622 CE1 TYR A 130 0.573 -15.018 -3.500 1.00 11.09 C ATOM 623 CE2 TYR A 130 -0.115 -12.859 -4.264 1.00 10.27 C ATOM 624 CZ TYR A 130 0.559 -14.044 -4.475 1.00 10.92 C ATOM 625 OH TYR A 130 1.219 -14.253 -5.663 1.00 11.49 O ATOM 0 H TYR A 130 -3.167 -13.166 -2.575 1.00 10.62 H new ATOM 0 HA TYR A 130 -2.739 -15.150 -0.736 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -1.634 -12.316 -0.616 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -0.889 -13.754 0.054 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -0.078 -15.570 -1.547 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -1.304 -11.722 -2.909 1.00 9.83 H new ATOM 0 HE1 TYR A 130 1.101 -15.945 -3.667 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -0.125 -12.097 -5.029 1.00 10.27 H new ATOM 0 HH TYR A 130 1.683 -13.432 -5.928 1.00 11.49 H new ATOM 635 N GLY A 131 -4.163 -12.522 0.653 1.00 9.97 N ATOM 636 CA GLY A 131 -4.870 -12.089 1.847 1.00 10.07 C ATOM 637 C GLY A 131 -3.944 -11.568 2.929 1.00 9.30 C ATOM 638 O GLY A 131 -4.350 -10.755 3.761 1.00 9.47 O ATOM 0 H GLY A 131 -4.160 -11.847 -0.111 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -5.581 -11.308 1.578 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.448 -12.924 2.243 1.00 10.07 H new ATOM 642 N ASN A 132 -2.699 -12.035 2.922 1.00 8.58 N ATOM 643 CA ASN A 132 -1.717 -11.611 3.913 1.00 7.89 C ATOM 644 C ASN A 132 -1.511 -10.101 3.863 1.00 6.95 C ATOM 645 O ASN A 132 -1.611 -9.485 2.800 1.00 6.64 O ATOM 646 CB ASN A 132 -0.384 -12.325 3.679 1.00 7.85 C ATOM 647 CG ASN A 132 0.340 -11.804 2.455 1.00 7.69 C ATOM 648 OD1 ASN A 132 -0.261 -11.610 1.399 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.640 -11.572 2.589 1.00 7.49 N ATOM 0 H ASN A 132 -2.347 -12.707 2.241 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.096 -11.877 4.900 1.00 7.89 H new ATOM 0 HB2 ASN A 132 0.252 -12.199 4.555 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.562 -13.394 3.565 1.00 7.85 H new ATOM 0 HD21 ASN A 132 2.179 -11.219 1.798 1.00 7.49 H new ATOM 0 HD22 ASN A 132 2.100 -11.746 3.483 1.00 7.49 H new ATOM 656 N ARG A 133 -1.223 -9.508 5.017 1.00 6.59 N ATOM 657 CA ARG A 133 -1.003 -8.069 5.106 1.00 5.87 C ATOM 658 C ARG A 133 0.489 -7.749 5.131 1.00 5.31 C ATOM 659 O ARG A 133 1.305 -8.584 5.521 1.00 5.65 O ATOM 660 CB ARG A 133 -1.676 -7.507 6.361 1.00 6.37 C ATOM 661 CG ARG A 133 -3.181 -7.344 6.226 1.00 6.55 C ATOM 662 CD ARG A 133 -3.897 -7.692 7.522 1.00 7.46 C ATOM 663 NE ARG A 133 -4.214 -6.505 8.309 1.00 7.96 N ATOM 664 CZ ARG A 133 -5.340 -5.810 8.177 1.00 8.74 C ATOM 665 NH1 ARG A 133 -6.254 -6.178 7.287 1.00 9.12 N ATOM 666 NH2 ARG A 133 -5.554 -4.742 8.936 1.00 9.35 N ATOM 0 H ARG A 133 -1.136 -10.003 5.905 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.443 -7.603 4.225 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -1.465 -8.167 7.202 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.234 -6.539 6.597 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.413 -6.317 5.945 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.547 -7.984 5.423 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.816 -8.232 7.294 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -3.272 -8.362 8.113 1.00 7.46 H new ATOM 0 HE ARG A 133 -3.533 -6.190 9.000 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -6.094 -6.997 6.701 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -7.116 -5.642 7.190 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -4.855 -4.454 9.621 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -6.418 -4.209 8.835 1.00 9.35 H new ATOM 680 N GLU A 134 0.837 -6.536 4.714 1.00 4.60 N ATOM 681 CA GLU A 134 2.231 -6.106 4.689 1.00 4.37 C ATOM 682 C GLU A 134 2.329 -4.583 4.665 1.00 4.10 C ATOM 683 O GLU A 134 1.704 -3.925 3.833 1.00 3.69 O ATOM 684 CB GLU A 134 2.946 -6.693 3.471 1.00 4.32 C ATOM 685 CG GLU A 134 3.940 -7.788 3.819 1.00 4.69 C ATOM 686 CD GLU A 134 5.091 -7.285 4.669 1.00 5.28 C ATOM 687 OE1 GLU A 134 5.714 -6.273 4.286 1.00 5.49 O ATOM 688 OE2 GLU A 134 5.367 -7.903 5.719 1.00 5.81 O ATOM 0 H GLU A 134 0.173 -5.833 4.389 1.00 4.60 H new ATOM 0 HA GLU A 134 2.714 -6.470 5.596 1.00 4.37 H new ATOM 0 HB2 GLU A 134 2.203 -7.094 2.782 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.468 -5.893 2.946 1.00 4.32 H new ATOM 0 HG2 GLU A 134 3.423 -8.587 4.351 1.00 4.69 H new ATOM 0 HG3 GLU A 134 4.335 -8.220 2.900 1.00 4.69 H new ATOM 695 N GLU A 135 3.114 -4.029 5.584 1.00 4.58 N ATOM 696 CA GLU A 135 3.290 -2.583 5.666 1.00 4.87 C ATOM 697 C GLU A 135 4.309 -2.094 4.641 1.00 4.79 C ATOM 698 O GLU A 135 5.441 -2.577 4.597 1.00 5.09 O ATOM 699 CB GLU A 135 3.733 -2.180 7.072 1.00 5.81 C ATOM 700 CG GLU A 135 3.417 -0.734 7.418 1.00 6.48 C ATOM 701 CD GLU A 135 4.450 -0.115 8.339 1.00 7.38 C ATOM 702 OE1 GLU A 135 4.450 -0.451 9.543 1.00 7.86 O ATOM 703 OE2 GLU A 135 5.259 0.705 7.857 1.00 7.78 O ATOM 0 H GLU A 135 3.637 -4.558 6.281 1.00 4.58 H new ATOM 0 HA GLU A 135 2.330 -2.116 5.446 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.248 -2.833 7.798 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.807 -2.341 7.166 1.00 5.81 H new ATOM 0 HG2 GLU A 135 3.358 -0.149 6.500 1.00 6.48 H new ATOM 0 HG3 GLU A 135 2.437 -0.684 7.892 1.00 6.48 H new ATOM 710 N GLN A 136 3.901 -1.129 3.824 1.00 4.64 N ATOM 711 CA GLN A 136 4.776 -0.564 2.801 1.00 4.84 C ATOM 712 C GLN A 136 4.778 0.960 2.878 1.00 5.56 C ATOM 713 O GLN A 136 4.008 1.553 3.632 1.00 5.86 O ATOM 714 CB GLN A 136 4.332 -1.021 1.411 1.00 4.04 C ATOM 715 CG GLN A 136 4.628 -2.484 1.129 1.00 4.34 C ATOM 716 CD GLN A 136 5.668 -2.669 0.042 1.00 4.37 C ATOM 717 OE1 GLN A 136 5.376 -3.205 -1.027 1.00 4.53 O ATOM 718 NE2 GLN A 136 6.890 -2.223 0.310 1.00 4.63 N ATOM 0 H GLN A 136 2.967 -0.720 3.850 1.00 4.64 H new ATOM 0 HA GLN A 136 5.790 -0.921 2.981 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.261 -0.849 1.306 1.00 4.04 H new ATOM 0 HB3 GLN A 136 4.829 -0.407 0.660 1.00 4.04 H new ATOM 0 HG2 GLN A 136 4.975 -2.964 2.044 1.00 4.34 H new ATOM 0 HG3 GLN A 136 3.707 -2.987 0.835 1.00 4.34 H new ATOM 0 HE21 GLN A 136 7.087 -1.785 1.210 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.631 -2.318 -0.384 1.00 4.63 H new ATOM 727 N ASN A 137 5.650 1.587 2.094 1.00 6.06 N ATOM 728 CA ASN A 137 5.752 3.043 2.080 1.00 6.90 C ATOM 729 C ASN A 137 5.022 3.633 0.878 1.00 6.54 C ATOM 730 O ASN A 137 5.039 3.061 -0.213 1.00 5.95 O ATOM 731 CB ASN A 137 7.221 3.471 2.057 1.00 7.87 C ATOM 732 CG ASN A 137 8.009 2.900 3.221 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.264 1.598 3.181 1.00 8.92 O flip ATOM 734 ND2 ASN A 137 8.383 3.623 4.145 1.00 8.47 N flip ATOM 0 H ASN A 137 6.294 1.112 1.462 1.00 6.06 H new ATOM 0 HA ASN A 137 5.282 3.421 2.987 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.676 3.148 1.121 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.280 4.559 2.081 1.00 7.87 H new ATOM 0 HD21 ASN A 137 8.164 4.619 4.134 1.00 8.47 H new ATOM 0 HD22 ASN A 137 8.912 3.226 4.921 1.00 8.47 H new ATOM 741 N LEU A 138 4.375 4.778 1.087 1.00 7.04 N ATOM 742 CA LEU A 138 3.633 5.447 0.022 1.00 6.90 C ATOM 743 C LEU A 138 4.543 5.775 -1.158 1.00 7.16 C ATOM 744 O LEU A 138 4.148 5.636 -2.316 1.00 6.67 O ATOM 745 CB LEU A 138 2.992 6.733 0.549 1.00 7.77 C ATOM 746 CG LEU A 138 1.823 6.529 1.515 1.00 7.75 C ATOM 747 CD1 LEU A 138 2.172 7.061 2.895 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.571 7.209 0.980 1.00 7.32 C ATOM 0 H LEU A 138 4.350 5.261 1.985 1.00 7.04 H new ATOM 0 HA LEU A 138 2.852 4.767 -0.320 1.00 6.90 H new ATOM 0 HB2 LEU A 138 3.759 7.323 1.051 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.643 7.320 -0.300 1.00 7.77 H new ATOM 0 HG LEU A 138 1.627 5.460 1.601 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.329 6.907 3.568 1.00 8.95 H new ATOM 0 HD12 LEU A 138 3.044 6.532 3.279 1.00 8.95 H new ATOM 0 HD13 LEU A 138 2.394 8.126 2.829 1.00 8.95 H new ATOM 0 HD21 LEU A 138 -0.253 7.056 1.677 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.757 8.277 0.867 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.311 6.782 0.012 1.00 7.32 H new ATOM 760 N SER A 139 5.760 6.215 -0.857 1.00 8.07 N ATOM 761 CA SER A 139 6.725 6.566 -1.892 1.00 8.59 C ATOM 762 C SER A 139 7.170 5.329 -2.668 1.00 8.04 C ATOM 763 O SER A 139 7.797 5.440 -3.724 1.00 8.40 O ATOM 764 CB SER A 139 7.941 7.261 -1.273 1.00 9.76 C ATOM 765 OG SER A 139 9.145 6.608 -1.634 1.00 10.26 O ATOM 0 H SER A 139 6.102 6.337 0.096 1.00 8.07 H new ATOM 0 HA SER A 139 6.239 7.251 -2.587 1.00 8.59 H new ATOM 0 HB2 SER A 139 7.975 8.300 -1.601 1.00 9.76 H new ATOM 0 HB3 SER A 139 7.842 7.273 -0.188 1.00 9.76 H new ATOM 0 HG SER A 139 9.905 7.074 -1.226 1.00 10.26 H new ATOM 771 N ASP A 140 6.844 4.154 -2.140 1.00 7.28 N ATOM 772 CA ASP A 140 7.211 2.898 -2.784 1.00 6.90 C ATOM 773 C ASP A 140 5.982 2.190 -3.348 1.00 5.82 C ATOM 774 O ASP A 140 6.094 1.127 -3.960 1.00 5.53 O ATOM 775 CB ASP A 140 7.931 1.982 -1.793 1.00 6.97 C ATOM 776 CG ASP A 140 9.020 1.159 -2.454 1.00 7.80 C ATOM 777 OD1 ASP A 140 8.698 0.378 -3.373 1.00 8.12 O ATOM 778 OD2 ASP A 140 10.195 1.296 -2.052 1.00 8.30 O ATOM 0 H ASP A 140 6.326 4.045 -1.268 1.00 7.28 H new ATOM 0 HA ASP A 140 7.883 3.129 -3.610 1.00 6.90 H new ATOM 0 HB2 ASP A 140 8.367 2.584 -0.996 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.206 1.314 -1.327 1.00 6.97 H new ATOM 783 N LEU A 141 4.812 2.786 -3.142 1.00 5.41 N ATOM 784 CA LEU A 141 3.566 2.210 -3.635 1.00 4.46 C ATOM 785 C LEU A 141 3.500 2.287 -5.157 1.00 4.72 C ATOM 786 O LEU A 141 3.957 3.259 -5.758 1.00 5.47 O ATOM 787 CB LEU A 141 2.362 2.934 -3.024 1.00 4.23 C ATOM 788 CG LEU A 141 1.881 2.383 -1.678 1.00 3.96 C ATOM 789 CD1 LEU A 141 0.708 3.200 -1.158 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.494 0.916 -1.805 1.00 3.01 C ATOM 0 H LEU A 141 4.701 3.666 -2.638 1.00 5.41 H new ATOM 0 HA LEU A 141 3.537 1.162 -3.337 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.618 3.986 -2.897 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.535 2.890 -3.732 1.00 4.23 H new ATOM 0 HG LEU A 141 2.701 2.460 -0.963 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.378 2.795 -0.201 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.017 4.237 -1.026 1.00 4.31 H new ATOM 0 HD13 LEU A 141 -0.113 3.154 -1.873 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.155 0.544 -0.838 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.691 0.813 -2.535 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.358 0.339 -2.133 1.00 3.01 H new ATOM 802 N LEU A 142 2.933 1.254 -5.774 1.00 4.30 N ATOM 803 CA LEU A 142 2.810 1.204 -7.227 1.00 4.79 C ATOM 804 C LEU A 142 1.350 1.285 -7.656 1.00 4.37 C ATOM 805 O LEU A 142 0.443 1.198 -6.830 1.00 3.72 O ATOM 806 CB LEU A 142 3.439 -0.082 -7.770 1.00 5.32 C ATOM 807 CG LEU A 142 4.866 -0.358 -7.296 1.00 5.88 C ATOM 808 CD1 LEU A 142 4.940 -1.695 -6.575 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.832 -0.330 -8.472 1.00 6.92 C ATOM 0 H LEU A 142 2.552 0.441 -5.290 1.00 4.30 H new ATOM 0 HA LEU A 142 3.339 2.064 -7.638 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.809 -0.924 -7.485 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.437 -0.037 -8.859 1.00 5.32 H new ATOM 0 HG LEU A 142 5.154 0.425 -6.595 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.963 -1.874 -6.245 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.277 -1.679 -5.710 1.00 6.01 H new ATOM 0 HD13 LEU A 142 4.633 -2.491 -7.253 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.843 -0.528 -8.117 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.546 -1.093 -9.196 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.800 0.651 -8.946 1.00 6.92 H new ATOM 821 N SER A 143 1.133 1.446 -8.958 1.00 4.93 N ATOM 822 CA SER A 143 -0.214 1.533 -9.506 1.00 4.89 C ATOM 823 C SER A 143 -0.727 0.147 -9.895 1.00 5.19 C ATOM 824 O SER A 143 0.062 -0.779 -10.086 1.00 5.64 O ATOM 825 CB SER A 143 -0.227 2.460 -10.725 1.00 5.50 C ATOM 826 OG SER A 143 0.942 3.260 -10.769 1.00 6.07 O ATOM 0 H SER A 143 1.876 1.519 -9.654 1.00 4.93 H new ATOM 0 HA SER A 143 -0.873 1.943 -8.741 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.300 1.867 -11.636 1.00 5.50 H new ATOM 0 HB3 SER A 143 -1.109 3.100 -10.690 1.00 5.50 H new ATOM 0 HG SER A 143 0.911 3.842 -11.557 1.00 6.07 H new ATOM 832 N PRO A 144 -2.061 -0.021 -10.012 1.00 5.25 N ATOM 833 CA PRO A 144 -2.667 -1.308 -10.375 1.00 5.91 C ATOM 834 C PRO A 144 -2.556 -1.609 -11.868 1.00 6.73 C ATOM 835 O PRO A 144 -3.563 -1.844 -12.538 1.00 7.04 O ATOM 836 CB PRO A 144 -4.128 -1.121 -9.977 1.00 6.05 C ATOM 837 CG PRO A 144 -4.374 0.335 -10.152 1.00 5.71 C ATOM 838 CD PRO A 144 -3.084 1.023 -9.793 1.00 5.04 C ATOM 0 HA PRO A 144 -2.173 -2.147 -9.884 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.791 -1.715 -10.607 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.303 -1.433 -8.947 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.663 0.561 -11.178 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.187 0.673 -9.510 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.907 1.896 -10.421 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.088 1.370 -8.760 1.00 5.04 H new ATOM 846 N ILE A 145 -1.328 -1.605 -12.382 1.00 7.30 N ATOM 847 CA ILE A 145 -1.082 -1.881 -13.795 1.00 8.19 C ATOM 848 C ILE A 145 -1.859 -0.925 -14.695 1.00 8.35 C ATOM 849 O ILE A 145 -3.003 -1.193 -15.063 1.00 8.81 O ATOM 850 CB ILE A 145 -1.459 -3.332 -14.158 1.00 8.86 C ATOM 851 CG1 ILE A 145 -0.926 -4.302 -13.099 1.00 9.14 C ATOM 852 CG2 ILE A 145 -0.921 -3.689 -15.534 1.00 9.47 C ATOM 853 CD1 ILE A 145 -1.500 -5.697 -13.211 1.00 9.94 C ATOM 0 H ILE A 145 -0.486 -1.413 -11.839 1.00 7.30 H new ATOM 0 HA ILE A 145 -0.014 -1.736 -13.960 1.00 8.19 H new ATOM 0 HB ILE A 145 -2.546 -3.415 -14.183 1.00 8.86 H new ATOM 0 HG12 ILE A 145 0.159 -4.357 -13.182 1.00 9.14 H new ATOM 0 HG13 ILE A 145 -1.150 -3.905 -12.109 1.00 9.14 H new ATOM 0 HG21 ILE A 145 -1.195 -4.716 -15.777 1.00 9.47 H new ATOM 0 HG22 ILE A 145 -1.347 -3.015 -16.277 1.00 9.47 H new ATOM 0 HG23 ILE A 145 0.165 -3.593 -15.536 1.00 9.47 H new ATOM 0 HD11 ILE A 145 -1.077 -6.328 -12.429 1.00 9.94 H new ATOM 0 HD12 ILE A 145 -2.583 -5.655 -13.097 1.00 9.94 H new ATOM 0 HD13 ILE A 145 -1.254 -6.114 -14.187 1.00 9.94 H new TER 865 ILE A 145