USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ 179:sc= 2.36 (180deg=1.15) USER MOD Set 1.2: A 92 TYR OH : rot -18:sc= -1.27! USER MOD Set 2.1: A 37 ASN : amide:sc= 1.1 K(o=2,f=0.89) USER MOD Set 2.2: A 74 SER OG : rot -160:sc= 0.95 USER MOD Set 3.1: A 41 THR OG1 : rot -70:sc= 0.275 USER MOD Set 3.2: A 75 CYS SG : rot 158:sc= -0.91 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -112:sc= 1.06 (180deg=-0.237) USER MOD Set 4.2: A 14 TYR OH : rot -101:sc= 2.12 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.12 K(o=1.1,f=-0.21) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.04) USER MOD Single : A 20 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.2!) USER MOD Single : A 21 ASN : amide:sc= 0.99 K(o=0.99,f=-0.83) USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.659 USER MOD Single : A 28 TYR OH : rot 155:sc= 0.242 USER MOD Single : A 33 ASN : amide:sc= 1.23 K(o=1.2,f=-0.019) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.0825 F(o=-0.63,f=-0.082) USER MOD Single : A 44 SER OG : rot 53:sc= 0.148 USER MOD Single : A 54 LYS NZ :NH3+ 133:sc= 1.24 (180deg=1.07) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0475) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.16) USER MOD Single : A 63 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.6!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.4!) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.25) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 80 HIS : no HE2:sc= 0.807 K(o=0.81,f=-2.7!) USER MOD Single : A 81 MET CE :methyl 179:sc= -0.784 (180deg=-0.817) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= -0.0197 (180deg=-0.168) USER MOD Single : A 87 SER OG : rot 106:sc= 1.26 USER MOD Single : A 88 TYR OH : rot -146:sc= -1.02 USER MOD Single : A 89 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 14.855 2.403 5.471 1.00 1.13 N ATOM 65 CA GLU A 5 14.148 3.630 5.801 1.00 1.19 C ATOM 66 C GLU A 5 13.007 3.878 4.828 1.00 1.05 C ATOM 67 O GLU A 5 13.127 3.612 3.633 1.00 1.01 O ATOM 68 CB GLU A 5 15.107 4.819 5.782 1.00 1.48 C ATOM 69 CG GLU A 5 15.923 4.964 7.053 1.00 1.61 C ATOM 70 CD GLU A 5 15.083 5.399 8.234 1.00 2.22 C ATOM 71 OE1 GLU A 5 14.336 4.562 8.784 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.165 6.584 8.623 1.00 2.57 O ATOM 0 HA GLU A 5 13.734 3.519 6.803 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.785 4.714 4.935 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.535 5.733 5.621 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.403 4.013 7.283 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.718 5.691 6.889 1.00 1.61 H new ATOM 79 N ILE A 6 11.904 4.394 5.350 1.00 1.00 N ATOM 80 CA ILE A 6 10.736 4.684 4.532 1.00 0.88 C ATOM 81 C ILE A 6 10.962 5.933 3.685 1.00 0.86 C ATOM 82 O ILE A 6 10.795 7.061 4.158 1.00 0.90 O ATOM 83 CB ILE A 6 9.472 4.880 5.401 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.240 3.654 6.288 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.255 5.138 4.522 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.180 3.862 7.345 1.00 0.92 C ATOM 0 H ILE A 6 11.793 4.621 6.338 1.00 1.00 H new ATOM 0 HA ILE A 6 10.583 3.826 3.877 1.00 0.88 H new ATOM 0 HB ILE A 6 9.624 5.748 6.042 1.00 0.86 H new ATOM 0 HG12 ILE A 6 8.954 2.811 5.660 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.178 3.385 6.774 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.375 5.274 5.150 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.419 6.037 3.928 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.099 4.288 3.858 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.071 2.952 7.935 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.474 4.684 7.998 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.230 4.100 6.866 1.00 0.92 H new ATOM 98 N LYS A 7 11.368 5.730 2.440 1.00 0.86 N ATOM 99 CA LYS A 7 11.599 6.838 1.530 1.00 0.89 C ATOM 100 C LYS A 7 10.332 7.125 0.746 1.00 0.79 C ATOM 101 O LYS A 7 9.762 6.231 0.119 1.00 0.74 O ATOM 102 CB LYS A 7 12.751 6.518 0.574 1.00 0.99 C ATOM 103 CG LYS A 7 13.910 7.502 0.657 1.00 1.10 C ATOM 104 CD LYS A 7 13.508 8.898 0.198 1.00 1.61 C ATOM 105 CE LYS A 7 13.360 8.978 -1.313 1.00 1.77 C ATOM 106 NZ LYS A 7 14.661 8.807 -2.016 1.00 2.23 N ATOM 0 H LYS A 7 11.544 4.809 2.039 1.00 0.86 H new ATOM 0 HA LYS A 7 11.871 7.720 2.110 1.00 0.89 H new ATOM 0 HB2 LYS A 7 13.121 5.516 0.789 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.370 6.505 -0.447 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.273 7.549 1.684 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.736 7.142 0.043 1.00 1.10 H new ATOM 0 HD2 LYS A 7 12.566 9.178 0.670 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.257 9.618 0.528 1.00 1.61 H new ATOM 0 HE2 LYS A 7 12.664 8.210 -1.649 1.00 1.77 H new ATOM 0 HE3 LYS A 7 12.927 9.941 -1.583 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 14.931 9.703 -2.469 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 15.393 8.531 -1.330 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 14.569 8.067 -2.741 1.00 2.23 H new ATOM 120 N GLN A 8 9.877 8.363 0.801 1.00 0.81 N ATOM 121 CA GLN A 8 8.673 8.746 0.094 1.00 0.78 C ATOM 122 C GLN A 8 9.002 9.267 -1.298 1.00 0.90 C ATOM 123 O GLN A 8 10.053 9.872 -1.523 1.00 1.15 O ATOM 124 CB GLN A 8 7.883 9.792 0.892 1.00 0.93 C ATOM 125 CG GLN A 8 8.408 11.213 0.758 1.00 1.29 C ATOM 126 CD GLN A 8 7.626 12.200 1.600 1.00 1.76 C ATOM 127 OE1 GLN A 8 8.026 12.538 2.718 1.00 2.52 O ATOM 128 NE2 GLN A 8 6.500 12.660 1.081 1.00 1.94 N ATOM 0 H GLN A 8 10.322 9.116 1.326 1.00 0.81 H new ATOM 0 HA GLN A 8 8.050 7.858 -0.016 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.843 9.770 0.567 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.894 9.512 1.945 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.457 11.239 1.053 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.363 11.517 -0.288 1.00 1.29 H new ATOM 0 HE21 GLN A 8 6.204 12.356 0.153 1.00 1.94 H new ATOM 0 HE22 GLN A 8 5.927 13.319 1.608 1.00 1.94 H new ATOM 137 N GLY A 9 8.109 8.997 -2.229 1.00 0.87 N ATOM 138 CA GLY A 9 8.273 9.449 -3.591 1.00 1.04 C ATOM 139 C GLY A 9 7.022 10.150 -4.065 1.00 0.71 C ATOM 140 O GLY A 9 6.174 10.501 -3.244 1.00 0.83 O ATOM 0 H GLY A 9 7.257 8.462 -2.062 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.125 10.126 -3.657 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.490 8.600 -4.239 1.00 1.04 H new ATOM 144 N GLU A 10 6.892 10.346 -5.371 1.00 1.04 N ATOM 145 CA GLU A 10 5.719 11.008 -5.935 1.00 0.82 C ATOM 146 C GLU A 10 4.466 10.174 -5.664 1.00 0.70 C ATOM 147 O GLU A 10 4.139 9.264 -6.431 1.00 0.72 O ATOM 148 CB GLU A 10 5.912 11.223 -7.439 1.00 0.79 C ATOM 149 CG GLU A 10 5.131 12.400 -8.004 1.00 1.82 C ATOM 150 CD GLU A 10 3.657 12.100 -8.177 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.309 11.302 -9.069 1.00 2.65 O ATOM 152 OE2 GLU A 10 2.836 12.663 -7.423 1.00 3.19 O ATOM 0 H GLU A 10 7.584 10.056 -6.062 1.00 1.04 H new ATOM 0 HA GLU A 10 5.594 11.981 -5.460 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.973 11.374 -7.640 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.614 10.317 -7.966 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.247 13.258 -7.342 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.555 12.682 -8.968 1.00 1.82 H new ATOM 159 N ASN A 11 3.783 10.496 -4.561 1.00 0.63 N ATOM 160 CA ASN A 11 2.572 9.789 -4.136 1.00 0.59 C ATOM 161 C ASN A 11 2.840 8.293 -4.025 1.00 0.47 C ATOM 162 O ASN A 11 2.027 7.464 -4.437 1.00 0.44 O ATOM 163 CB ASN A 11 1.407 10.054 -5.094 1.00 0.71 C ATOM 164 CG ASN A 11 0.677 11.347 -4.789 1.00 0.73 C ATOM 165 OD1 ASN A 11 -0.185 11.398 -3.915 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.017 12.401 -5.507 1.00 1.38 N ATOM 0 H ASN A 11 4.055 11.256 -3.937 1.00 0.63 H new ATOM 0 HA ASN A 11 2.290 10.169 -3.154 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.784 10.087 -6.116 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.703 9.224 -5.041 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.559 13.298 -5.345 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.738 12.319 -6.224 1.00 1.38 H new ATOM 173 N LYS A 12 3.987 7.955 -3.456 1.00 0.45 N ATOM 174 CA LYS A 12 4.373 6.562 -3.290 1.00 0.43 C ATOM 175 C LYS A 12 5.406 6.418 -2.181 1.00 0.46 C ATOM 176 O LYS A 12 5.965 7.411 -1.711 1.00 0.55 O ATOM 177 CB LYS A 12 4.953 6.011 -4.597 1.00 0.50 C ATOM 178 CG LYS A 12 6.363 6.498 -4.904 1.00 0.65 C ATOM 179 CD LYS A 12 7.013 5.664 -5.991 1.00 0.59 C ATOM 180 CE LYS A 12 8.451 6.092 -6.234 1.00 0.73 C ATOM 181 NZ LYS A 12 9.067 5.351 -7.364 1.00 0.94 N ATOM 0 H LYS A 12 4.667 8.627 -3.101 1.00 0.45 H new ATOM 0 HA LYS A 12 3.481 5.995 -3.021 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.958 4.922 -4.549 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.296 6.291 -5.420 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.329 7.542 -5.216 1.00 0.65 H new ATOM 0 HG3 LYS A 12 6.969 6.455 -3.999 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.988 4.612 -5.708 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.442 5.759 -6.915 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.481 7.162 -6.442 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.037 5.927 -5.330 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.988 5.774 -7.596 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.201 4.356 -7.094 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.443 5.403 -8.195 1.00 0.94 H new ATOM 195 N PHE A 13 5.650 5.184 -1.774 1.00 0.46 N ATOM 196 CA PHE A 13 6.637 4.880 -0.748 1.00 0.50 C ATOM 197 C PHE A 13 7.482 3.704 -1.213 1.00 0.50 C ATOM 198 O PHE A 13 6.956 2.765 -1.811 1.00 0.46 O ATOM 199 CB PHE A 13 5.971 4.542 0.589 1.00 0.51 C ATOM 200 CG PHE A 13 5.263 5.700 1.236 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.983 6.729 1.819 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.882 5.752 1.266 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.335 7.792 2.420 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.228 6.810 1.866 1.00 0.59 C ATOM 205 CZ PHE A 13 3.954 7.832 2.445 1.00 0.65 C ATOM 0 H PHE A 13 5.170 4.364 -2.144 1.00 0.46 H new ATOM 0 HA PHE A 13 7.262 5.760 -0.594 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.255 3.735 0.432 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.730 4.166 1.275 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.063 6.701 1.804 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.308 4.956 0.815 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.907 8.590 2.869 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.148 6.838 1.882 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.444 8.660 2.916 1.00 0.65 H new ATOM 215 N TYR A 14 8.782 3.754 -0.970 1.00 0.60 N ATOM 216 CA TYR A 14 9.656 2.666 -1.383 1.00 0.64 C ATOM 217 C TYR A 14 10.891 2.569 -0.495 1.00 0.69 C ATOM 218 O TYR A 14 11.361 3.566 0.055 1.00 0.75 O ATOM 219 CB TYR A 14 10.063 2.819 -2.858 1.00 0.67 C ATOM 220 CG TYR A 14 10.988 3.986 -3.151 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.528 5.297 -3.082 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.321 3.777 -3.485 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.368 6.363 -3.336 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.167 4.838 -3.737 1.00 1.04 C ATOM 225 CZ TYR A 14 12.683 6.118 -3.707 1.00 1.03 C ATOM 226 OH TYR A 14 13.524 7.187 -3.909 1.00 1.16 O ATOM 0 H TYR A 14 9.251 4.525 -0.495 1.00 0.60 H new ATOM 0 HA TYR A 14 9.094 1.738 -1.273 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.550 1.899 -3.182 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.160 2.931 -3.459 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.496 5.484 -2.825 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.701 2.768 -3.548 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.006 7.377 -3.247 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.209 4.659 -3.957 1.00 1.04 H new ATOM 0 HH TYR A 14 13.608 7.360 -4.870 1.00 1.16 H new ATOM 236 N ILE A 15 11.388 1.350 -0.349 1.00 0.71 N ATOM 237 CA ILE A 15 12.572 1.075 0.451 1.00 0.78 C ATOM 238 C ILE A 15 13.487 0.129 -0.317 1.00 0.92 C ATOM 239 O ILE A 15 13.023 -0.869 -0.870 1.00 0.92 O ATOM 240 CB ILE A 15 12.215 0.429 1.814 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.260 1.329 2.602 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.478 0.156 2.624 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.826 0.748 3.934 1.00 0.71 C ATOM 0 H ILE A 15 10.981 0.522 -0.783 1.00 0.71 H new ATOM 0 HA ILE A 15 13.069 2.025 0.646 1.00 0.78 H new ATOM 0 HB ILE A 15 11.715 -0.521 1.622 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.743 2.290 2.776 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.375 1.522 1.996 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.208 -0.297 3.578 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.126 -0.523 2.070 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.004 1.093 2.804 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.151 1.444 4.432 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.313 -0.199 3.768 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.702 0.581 4.561 1.00 0.71 H new ATOM 255 N GLY A 16 14.773 0.444 -0.371 1.00 1.09 N ATOM 256 CA GLY A 16 15.705 -0.403 -1.083 1.00 1.26 C ATOM 257 C GLY A 16 17.092 0.188 -1.139 1.00 1.42 C ATOM 258 O GLY A 16 17.509 0.902 -0.228 1.00 1.52 O ATOM 0 H GLY A 16 15.186 1.269 0.064 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.748 -1.379 -0.599 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.341 -0.566 -2.097 1.00 1.26 H new ATOM 262 N ASP A 17 17.807 -0.105 -2.213 1.00 1.55 N ATOM 263 CA ASP A 17 19.164 0.394 -2.394 1.00 1.74 C ATOM 264 C ASP A 17 19.174 1.620 -3.299 1.00 1.66 C ATOM 265 O ASP A 17 20.054 2.475 -3.204 1.00 1.78 O ATOM 266 CB ASP A 17 20.043 -0.710 -2.993 1.00 1.95 C ATOM 267 CG ASP A 17 21.417 -0.229 -3.409 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.286 -0.063 -2.528 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.626 0.008 -4.620 1.00 2.14 O ATOM 0 H ASP A 17 17.469 -0.689 -2.978 1.00 1.55 H new ATOM 0 HA ASP A 17 19.561 0.686 -1.422 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.153 -1.512 -2.263 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.538 -1.135 -3.860 1.00 1.95 H new ATOM 274 N ASP A 18 18.169 1.707 -4.156 1.00 1.53 N ATOM 275 CA ASP A 18 18.053 2.808 -5.102 1.00 1.48 C ATOM 276 C ASP A 18 16.634 2.855 -5.656 1.00 1.37 C ATOM 277 O ASP A 18 15.840 1.957 -5.383 1.00 1.29 O ATOM 278 CB ASP A 18 19.082 2.613 -6.232 1.00 1.53 C ATOM 279 CG ASP A 18 18.935 3.605 -7.365 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.354 4.770 -7.204 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.388 3.221 -8.418 1.00 1.41 O ATOM 0 H ASP A 18 17.415 1.022 -4.216 1.00 1.53 H new ATOM 0 HA ASP A 18 18.257 3.756 -4.604 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.086 2.696 -5.816 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.985 1.603 -6.630 1.00 1.53 H new ATOM 286 N GLU A 19 16.314 3.901 -6.412 1.00 1.41 N ATOM 287 CA GLU A 19 14.999 4.048 -7.019 1.00 1.38 C ATOM 288 C GLU A 19 14.631 2.801 -7.820 1.00 1.34 C ATOM 289 O GLU A 19 13.497 2.325 -7.761 1.00 1.34 O ATOM 290 CB GLU A 19 14.978 5.270 -7.935 1.00 1.49 C ATOM 291 CG GLU A 19 13.592 5.631 -8.438 1.00 1.76 C ATOM 292 CD GLU A 19 12.776 6.396 -7.419 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.365 7.185 -6.655 1.00 2.72 O ATOM 294 OE2 GLU A 19 11.543 6.202 -7.366 1.00 2.43 O ATOM 0 H GLU A 19 16.956 4.666 -6.619 1.00 1.41 H new ATOM 0 HA GLU A 19 14.268 4.180 -6.222 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.394 6.123 -7.398 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.628 5.084 -8.790 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.684 6.229 -9.345 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.061 4.719 -8.710 1.00 1.76 H new ATOM 301 N ASN A 20 15.596 2.273 -8.568 1.00 1.37 N ATOM 302 CA ASN A 20 15.362 1.075 -9.368 1.00 1.39 C ATOM 303 C ASN A 20 15.599 -0.175 -8.530 1.00 1.40 C ATOM 304 O ASN A 20 15.032 -1.236 -8.793 1.00 1.52 O ATOM 305 CB ASN A 20 16.263 1.055 -10.607 1.00 1.48 C ATOM 306 CG ASN A 20 15.801 0.043 -11.642 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.609 -0.250 -11.750 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.738 -0.491 -12.411 1.00 2.15 N ATOM 0 H ASN A 20 16.540 2.652 -8.637 1.00 1.37 H new ATOM 0 HA ASN A 20 14.324 1.090 -9.700 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.281 2.048 -11.056 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.285 0.823 -10.306 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.484 -1.173 -13.126 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.714 -0.220 -12.288 1.00 2.15 H new ATOM 315 N ASN A 21 16.422 -0.036 -7.501 1.00 1.36 N ATOM 316 CA ASN A 21 16.737 -1.150 -6.612 1.00 1.38 C ATOM 317 C ASN A 21 15.812 -1.123 -5.404 1.00 1.25 C ATOM 318 O ASN A 21 16.242 -1.315 -4.265 1.00 1.23 O ATOM 319 CB ASN A 21 18.195 -1.092 -6.145 1.00 1.54 C ATOM 320 CG ASN A 21 19.192 -1.259 -7.270 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.867 -1.776 -8.339 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.421 -0.831 -7.030 1.00 2.45 N ATOM 0 H ASN A 21 16.886 0.839 -7.259 1.00 1.36 H new ATOM 0 HA ASN A 21 16.592 -2.077 -7.166 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.373 -0.137 -5.650 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.362 -1.872 -5.402 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.142 -0.924 -7.745 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.647 -0.408 -6.130 1.00 2.45 H new ATOM 329 N ALA A 22 14.545 -0.851 -5.663 1.00 1.19 N ATOM 330 CA ALA A 22 13.545 -0.795 -4.611 1.00 1.09 C ATOM 331 C ALA A 22 13.050 -2.192 -4.263 1.00 1.06 C ATOM 332 O ALA A 22 12.335 -2.822 -5.044 1.00 1.14 O ATOM 333 CB ALA A 22 12.384 0.100 -5.024 1.00 1.04 C ATOM 0 H ALA A 22 14.183 -0.665 -6.598 1.00 1.19 H new ATOM 0 HA ALA A 22 14.008 -0.368 -3.722 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.645 0.130 -4.223 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.752 1.108 -5.216 1.00 1.04 H new ATOM 0 HB3 ALA A 22 11.923 -0.296 -5.929 1.00 1.04 H new ATOM 339 N LEU A 23 13.449 -2.671 -3.090 1.00 0.99 N ATOM 340 CA LEU A 23 13.053 -3.990 -2.620 1.00 0.99 C ATOM 341 C LEU A 23 11.552 -4.024 -2.375 1.00 0.87 C ATOM 342 O LEU A 23 10.874 -5.001 -2.691 1.00 0.95 O ATOM 343 CB LEU A 23 13.799 -4.341 -1.328 1.00 1.05 C ATOM 344 CG LEU A 23 15.326 -4.318 -1.427 1.00 1.25 C ATOM 345 CD1 LEU A 23 15.954 -4.456 -0.048 1.00 1.39 C ATOM 346 CD2 LEU A 23 15.818 -5.422 -2.352 1.00 1.37 C ATOM 0 H LEU A 23 14.051 -2.160 -2.444 1.00 0.99 H new ATOM 0 HA LEU A 23 13.308 -4.725 -3.384 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.491 -3.643 -0.549 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.487 -5.335 -1.007 1.00 1.05 H new ATOM 0 HG LEU A 23 15.628 -3.358 -1.846 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.040 -4.438 -0.139 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.629 -3.630 0.584 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.644 -5.400 0.400 1.00 1.39 H new ATOM 0 HD21 LEU A 23 16.906 -5.390 -2.410 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.504 -6.390 -1.962 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.397 -5.277 -3.347 1.00 1.37 H new ATOM 358 N ALA A 24 11.043 -2.942 -1.813 1.00 0.77 N ATOM 359 CA ALA A 24 9.626 -2.821 -1.532 1.00 0.66 C ATOM 360 C ALA A 24 9.112 -1.494 -2.067 1.00 0.60 C ATOM 361 O ALA A 24 9.621 -0.434 -1.699 1.00 0.67 O ATOM 362 CB ALA A 24 9.364 -2.943 -0.038 1.00 0.71 C ATOM 0 H ALA A 24 11.596 -2.129 -1.541 1.00 0.77 H new ATOM 0 HA ALA A 24 9.093 -3.631 -2.030 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.295 -2.850 0.153 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.712 -3.914 0.314 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.897 -2.153 0.491 1.00 0.71 H new ATOM 368 N GLU A 25 8.131 -1.558 -2.952 1.00 0.54 N ATOM 369 CA GLU A 25 7.560 -0.362 -3.545 1.00 0.52 C ATOM 370 C GLU A 25 6.039 -0.419 -3.523 1.00 0.43 C ATOM 371 O GLU A 25 5.434 -1.407 -3.947 1.00 0.45 O ATOM 372 CB GLU A 25 8.061 -0.198 -4.984 1.00 0.65 C ATOM 373 CG GLU A 25 7.388 0.933 -5.746 1.00 0.84 C ATOM 374 CD GLU A 25 6.438 0.431 -6.815 1.00 0.87 C ATOM 375 OE1 GLU A 25 6.887 -0.313 -7.713 1.00 1.33 O ATOM 376 OE2 GLU A 25 5.241 0.781 -6.770 1.00 1.02 O ATOM 0 H GLU A 25 7.713 -2.430 -3.276 1.00 0.54 H new ATOM 0 HA GLU A 25 7.878 0.498 -2.956 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.136 -0.021 -4.966 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.901 -1.132 -5.523 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.840 1.563 -5.045 1.00 0.84 H new ATOM 0 HG3 GLU A 25 8.151 1.559 -6.208 1.00 0.84 H new ATOM 383 N ILE A 26 5.437 0.637 -3.006 1.00 0.40 N ATOM 384 CA ILE A 26 3.993 0.742 -2.943 1.00 0.33 C ATOM 385 C ILE A 26 3.563 2.085 -3.530 1.00 0.33 C ATOM 386 O ILE A 26 3.941 3.150 -3.035 1.00 0.38 O ATOM 387 CB ILE A 26 3.457 0.572 -1.496 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.944 0.806 -1.445 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.174 1.504 -0.526 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.317 0.411 -0.127 1.00 0.34 C ATOM 0 H ILE A 26 5.933 1.441 -2.621 1.00 0.40 H new ATOM 0 HA ILE A 26 3.563 -0.070 -3.530 1.00 0.33 H new ATOM 0 HB ILE A 26 3.659 -0.454 -1.188 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.741 1.860 -1.634 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.470 0.241 -2.248 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.776 1.360 0.478 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.241 1.281 -0.528 1.00 0.41 H new ATOM 0 HG23 ILE A 26 4.019 2.538 -0.833 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.245 0.604 -0.162 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.489 -0.650 0.054 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.764 0.994 0.678 1.00 0.34 H new ATOM 402 N THR A 27 2.797 2.028 -4.607 1.00 0.33 N ATOM 403 CA THR A 27 2.343 3.228 -5.278 1.00 0.35 C ATOM 404 C THR A 27 0.842 3.409 -5.124 1.00 0.37 C ATOM 405 O THR A 27 0.075 2.447 -5.206 1.00 0.41 O ATOM 406 CB THR A 27 2.693 3.182 -6.773 1.00 0.40 C ATOM 407 OG1 THR A 27 2.758 1.820 -7.223 1.00 0.60 O ATOM 408 CG2 THR A 27 4.019 3.867 -7.051 1.00 0.51 C ATOM 0 H THR A 27 2.477 1.159 -5.034 1.00 0.33 H new ATOM 0 HA THR A 27 2.852 4.072 -4.812 1.00 0.35 H new ATOM 0 HB THR A 27 1.909 3.712 -7.314 1.00 0.40 H new ATOM 0 HG1 THR A 27 3.664 1.472 -7.084 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.238 3.817 -8.118 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.962 4.910 -6.741 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.811 3.366 -6.494 1.00 0.51 H new ATOM 416 N TYR A 28 0.428 4.645 -4.911 1.00 0.39 N ATOM 417 CA TYR A 28 -0.981 4.958 -4.746 1.00 0.45 C ATOM 418 C TYR A 28 -1.317 6.266 -5.448 1.00 0.48 C ATOM 419 O TYR A 28 -0.426 6.948 -5.956 1.00 0.68 O ATOM 420 CB TYR A 28 -1.352 5.039 -3.256 1.00 0.48 C ATOM 421 CG TYR A 28 -0.571 6.076 -2.470 1.00 0.49 C ATOM 422 CD1 TYR A 28 -1.016 7.389 -2.381 1.00 0.59 C ATOM 423 CD2 TYR A 28 0.611 5.738 -1.824 1.00 0.51 C ATOM 424 CE1 TYR A 28 -0.305 8.335 -1.668 1.00 0.66 C ATOM 425 CE2 TYR A 28 1.327 6.679 -1.109 1.00 0.60 C ATOM 426 CZ TYR A 28 0.856 7.977 -1.028 1.00 0.65 C ATOM 427 OH TYR A 28 1.574 8.914 -0.318 1.00 0.76 O ATOM 0 H TYR A 28 1.049 5.451 -4.848 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.565 4.157 -5.199 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.416 5.262 -3.171 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.194 4.061 -2.801 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -1.932 7.675 -2.877 1.00 0.59 H new ATOM 0 HD2 TYR A 28 0.976 4.723 -1.881 1.00 0.51 H new ATOM 0 HE1 TYR A 28 -0.661 9.353 -1.614 1.00 0.66 H new ATOM 0 HE2 TYR A 28 2.248 6.403 -0.617 1.00 0.60 H new ATOM 0 HH TYR A 28 2.101 8.465 0.376 1.00 0.76 H new ATOM 437 N ARG A 29 -2.595 6.606 -5.486 1.00 0.42 N ATOM 438 CA ARG A 29 -3.038 7.837 -6.116 1.00 0.48 C ATOM 439 C ARG A 29 -4.403 8.231 -5.588 1.00 0.48 C ATOM 440 O ARG A 29 -5.158 7.386 -5.105 1.00 0.49 O ATOM 441 CB ARG A 29 -3.100 7.673 -7.633 1.00 0.56 C ATOM 442 CG ARG A 29 -2.728 8.932 -8.398 1.00 0.93 C ATOM 443 CD ARG A 29 -1.487 8.716 -9.246 1.00 1.22 C ATOM 444 NE ARG A 29 -0.353 8.230 -8.457 1.00 1.83 N ATOM 445 CZ ARG A 29 0.837 8.826 -8.404 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.061 9.942 -9.084 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.802 8.305 -7.660 1.00 3.63 N ATOM 0 H ARG A 29 -3.346 6.044 -5.086 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.320 8.622 -5.878 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.430 6.866 -7.930 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.108 7.371 -7.916 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.559 9.231 -9.036 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.554 9.748 -7.697 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.710 8.000 -10.037 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.214 9.653 -9.732 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.483 7.378 -7.912 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.319 10.350 -9.653 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.975 10.392 -9.038 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.632 7.450 -7.130 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.714 8.759 -7.617 1.00 3.63 H new ATOM 461 N PHE A 30 -4.705 9.511 -5.663 1.00 0.56 N ATOM 462 CA PHE A 30 -5.989 10.013 -5.209 1.00 0.60 C ATOM 463 C PHE A 30 -7.024 9.811 -6.305 1.00 0.68 C ATOM 464 O PHE A 30 -6.909 10.384 -7.392 1.00 0.83 O ATOM 465 CB PHE A 30 -5.894 11.495 -4.835 1.00 0.66 C ATOM 466 CG PHE A 30 -5.211 11.751 -3.522 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.829 11.800 -3.444 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.951 11.931 -2.366 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.197 12.027 -2.236 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.327 12.157 -1.157 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.948 12.242 -1.097 1.00 0.82 C ATOM 0 H PHE A 30 -4.079 10.225 -6.035 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.289 9.461 -4.318 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.356 12.024 -5.622 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.899 11.915 -4.798 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.239 11.659 -4.337 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -7.029 11.894 -2.411 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -2.118 12.036 -2.183 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.915 12.268 -0.258 1.00 0.80 H new ATOM 0 HZ PHE A 30 -3.460 12.476 -0.162 1.00 0.82 H new ATOM 481 N VAL A 31 -8.016 8.979 -6.032 1.00 0.62 N ATOM 482 CA VAL A 31 -9.054 8.704 -7.015 1.00 0.70 C ATOM 483 C VAL A 31 -10.099 9.810 -7.038 1.00 0.73 C ATOM 484 O VAL A 31 -10.543 10.227 -8.107 1.00 0.83 O ATOM 485 CB VAL A 31 -9.744 7.347 -6.772 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.879 6.214 -7.295 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.057 7.145 -5.298 1.00 0.67 C ATOM 0 H VAL A 31 -8.125 8.486 -5.146 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.555 8.662 -7.983 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.688 7.346 -7.316 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.379 5.262 -7.116 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.717 6.344 -8.365 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.919 6.222 -6.779 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.543 6.179 -5.158 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.132 7.172 -4.723 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.721 7.938 -4.955 1.00 0.67 H new ATOM 497 N ASP A 32 -10.486 10.289 -5.864 1.00 0.72 N ATOM 498 CA ASP A 32 -11.479 11.348 -5.784 1.00 0.84 C ATOM 499 C ASP A 32 -10.972 12.526 -4.962 1.00 0.97 C ATOM 500 O ASP A 32 -10.401 13.462 -5.513 1.00 1.74 O ATOM 501 CB ASP A 32 -12.800 10.829 -5.209 1.00 0.84 C ATOM 502 CG ASP A 32 -13.906 11.865 -5.291 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.436 12.093 -6.400 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.254 12.457 -4.247 1.00 1.16 O ATOM 0 H ASP A 32 -10.132 9.965 -4.964 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.660 11.696 -6.801 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -13.103 9.933 -5.750 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.653 10.539 -4.169 1.00 0.84 H new ATOM 509 N ASN A 33 -11.157 12.482 -3.650 1.00 0.89 N ATOM 510 CA ASN A 33 -10.725 13.590 -2.807 1.00 0.95 C ATOM 511 C ASN A 33 -9.889 13.129 -1.625 1.00 0.84 C ATOM 512 O ASN A 33 -8.734 13.534 -1.477 1.00 1.07 O ATOM 513 CB ASN A 33 -11.938 14.376 -2.307 1.00 1.09 C ATOM 514 CG ASN A 33 -12.399 15.422 -3.304 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.915 16.552 -3.297 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.329 15.056 -4.171 1.00 2.72 N ATOM 0 H ASN A 33 -11.595 11.707 -3.152 1.00 0.89 H new ATOM 0 HA ASN A 33 -10.095 14.232 -3.422 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.757 13.686 -2.104 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.689 14.862 -1.363 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.669 15.721 -4.866 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.706 14.109 -4.145 1.00 2.72 H new ATOM 523 N ASN A 34 -10.463 12.280 -0.787 1.00 0.73 N ATOM 524 CA ASN A 34 -9.761 11.802 0.398 1.00 0.86 C ATOM 525 C ASN A 34 -9.453 10.318 0.302 1.00 0.88 C ATOM 526 O ASN A 34 -8.928 9.728 1.240 1.00 1.22 O ATOM 527 CB ASN A 34 -10.587 12.073 1.662 1.00 1.01 C ATOM 528 CG ASN A 34 -11.070 13.506 1.751 1.00 1.35 C ATOM 529 OD1 ASN A 34 -10.303 14.418 2.072 1.00 1.84 O ATOM 530 ND2 ASN A 34 -12.348 13.717 1.477 1.00 1.83 N ATOM 0 H ASN A 34 -11.406 11.909 -0.902 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.819 12.347 0.458 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.446 11.403 1.680 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.985 11.842 2.541 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -12.731 14.661 1.528 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -12.949 12.936 1.215 1.00 1.83 H new ATOM 537 N GLU A 35 -9.778 9.713 -0.825 1.00 0.64 N ATOM 538 CA GLU A 35 -9.534 8.294 -1.009 1.00 0.62 C ATOM 539 C GLU A 35 -8.267 8.049 -1.817 1.00 0.57 C ATOM 540 O GLU A 35 -8.113 8.562 -2.931 1.00 0.59 O ATOM 541 CB GLU A 35 -10.727 7.629 -1.696 1.00 0.68 C ATOM 542 CG GLU A 35 -12.069 8.056 -1.130 1.00 1.01 C ATOM 543 CD GLU A 35 -12.725 9.140 -1.957 1.00 1.41 C ATOM 544 OE1 GLU A 35 -12.173 10.255 -2.014 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.797 8.884 -2.550 1.00 1.47 O ATOM 0 H GLU A 35 -10.209 10.179 -1.623 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.399 7.852 -0.022 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.700 7.863 -2.760 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.631 6.547 -1.605 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.731 7.191 -1.079 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.933 8.414 -0.109 1.00 1.01 H new ATOM 552 N ILE A 36 -7.366 7.267 -1.245 1.00 0.52 N ATOM 553 CA ILE A 36 -6.113 6.920 -1.895 1.00 0.48 C ATOM 554 C ILE A 36 -6.147 5.458 -2.320 1.00 0.46 C ATOM 555 O ILE A 36 -6.340 4.566 -1.493 1.00 0.53 O ATOM 556 CB ILE A 36 -4.892 7.163 -0.977 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.236 6.856 0.483 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.402 8.595 -1.125 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.035 6.864 1.406 1.00 0.51 C ATOM 0 H ILE A 36 -7.482 6.856 -0.319 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.004 7.566 -2.766 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.092 6.488 -1.281 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.961 7.589 0.838 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.717 5.880 0.536 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.542 8.754 -0.474 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.112 8.775 -2.160 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.200 9.283 -0.847 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.356 6.639 2.423 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.318 6.112 1.077 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.565 7.847 1.383 1.00 0.51 H new ATOM 571 N ASN A 37 -5.975 5.222 -3.608 1.00 0.44 N ATOM 572 CA ASN A 37 -6.010 3.872 -4.146 1.00 0.46 C ATOM 573 C ASN A 37 -4.622 3.381 -4.501 1.00 0.42 C ATOM 574 O ASN A 37 -3.899 4.026 -5.261 1.00 0.50 O ATOM 575 CB ASN A 37 -6.905 3.825 -5.385 1.00 0.54 C ATOM 576 CG ASN A 37 -6.854 2.488 -6.105 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.551 1.542 -5.735 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.047 2.407 -7.151 1.00 0.98 N ATOM 0 H ASN A 37 -5.809 5.949 -4.304 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.416 3.217 -3.375 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.934 4.034 -5.091 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.604 4.614 -6.074 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.986 1.538 -7.682 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.486 3.213 -7.426 1.00 0.98 H new ATOM 585 N ILE A 38 -4.248 2.246 -3.932 1.00 0.36 N ATOM 586 CA ILE A 38 -2.958 1.640 -4.209 1.00 0.33 C ATOM 587 C ILE A 38 -3.042 0.872 -5.522 1.00 0.41 C ATOM 588 O ILE A 38 -3.870 -0.031 -5.672 1.00 0.53 O ATOM 589 CB ILE A 38 -2.514 0.696 -3.071 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.429 1.464 -1.751 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.168 0.062 -3.399 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.484 0.576 -0.525 1.00 0.69 C ATOM 0 H ILE A 38 -4.824 1.724 -3.272 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.213 2.433 -4.284 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.255 -0.097 -2.969 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.501 2.036 -1.733 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.248 2.182 -1.705 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -0.870 -0.600 -2.586 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.251 -0.511 -4.322 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.418 0.843 -3.523 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.418 1.191 0.373 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.423 0.023 -0.518 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.650 -0.125 -0.546 1.00 0.69 H new ATOM 604 N ASP A 39 -2.198 1.237 -6.469 1.00 0.52 N ATOM 605 CA ASP A 39 -2.207 0.606 -7.783 1.00 0.73 C ATOM 606 C ASP A 39 -1.264 -0.587 -7.846 1.00 0.50 C ATOM 607 O ASP A 39 -1.648 -1.674 -8.286 1.00 0.64 O ATOM 608 CB ASP A 39 -1.818 1.620 -8.857 1.00 1.08 C ATOM 609 CG ASP A 39 -1.749 1.001 -10.235 1.00 1.73 C ATOM 610 OD1 ASP A 39 -2.816 0.721 -10.824 1.00 2.47 O ATOM 611 OD2 ASP A 39 -0.628 0.773 -10.733 1.00 2.16 O ATOM 0 H ASP A 39 -1.495 1.968 -6.356 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.220 0.246 -7.963 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -2.542 2.435 -8.863 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.850 2.056 -8.608 1.00 1.08 H new ATOM 616 N HIS A 40 -0.032 -0.390 -7.405 1.00 0.37 N ATOM 617 CA HIS A 40 0.957 -1.454 -7.445 1.00 0.44 C ATOM 618 C HIS A 40 1.646 -1.629 -6.097 1.00 0.39 C ATOM 619 O HIS A 40 1.837 -0.672 -5.344 1.00 0.42 O ATOM 620 CB HIS A 40 1.993 -1.162 -8.540 1.00 0.72 C ATOM 621 CG HIS A 40 3.102 -2.168 -8.625 1.00 0.72 C ATOM 622 ND1 HIS A 40 4.375 -2.117 -8.170 1.00 1.59 N flip ATOM 623 CD2 HIS A 40 2.962 -3.399 -9.223 1.00 0.92 C flip ATOM 624 CE1 HIS A 40 4.974 -3.308 -8.495 1.00 2.12 C flip ATOM 625 NE2 HIS A 40 4.099 -4.063 -9.130 1.00 1.64 N flip ATOM 0 H HIS A 40 0.305 0.491 -7.018 1.00 0.37 H new ATOM 0 HA HIS A 40 0.442 -2.387 -7.675 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.484 -1.118 -9.503 1.00 0.72 H new ATOM 0 HB3 HIS A 40 2.425 -0.177 -8.362 1.00 0.72 H new ATOM 0 HD2 HIS A 40 2.062 -3.765 -9.695 1.00 0.92 H new ATOM 0 HE1 HIS A 40 5.994 -3.582 -8.268 1.00 2.12 H new ATOM 0 HE2 HIS A 40 4.272 -5.002 -9.489 1.00 1.64 H new ATOM 634 N THR A 41 1.997 -2.871 -5.803 1.00 0.41 N ATOM 635 CA THR A 41 2.683 -3.223 -4.576 1.00 0.45 C ATOM 636 C THR A 41 3.667 -4.357 -4.857 1.00 0.54 C ATOM 637 O THR A 41 3.273 -5.513 -5.020 1.00 0.73 O ATOM 638 CB THR A 41 1.683 -3.653 -3.482 1.00 0.48 C ATOM 639 OG1 THR A 41 0.512 -2.824 -3.546 1.00 0.48 O ATOM 640 CG2 THR A 41 2.311 -3.541 -2.100 1.00 0.55 C ATOM 0 H THR A 41 1.811 -3.666 -6.415 1.00 0.41 H new ATOM 0 HA THR A 41 3.220 -2.347 -4.214 1.00 0.45 H new ATOM 0 HB THR A 41 1.408 -4.694 -3.655 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.736 -1.918 -3.248 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.587 -3.849 -1.345 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.189 -4.185 -2.046 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.607 -2.508 -1.918 1.00 0.55 H new ATOM 648 N GLY A 42 4.942 -4.016 -4.948 1.00 0.55 N ATOM 649 CA GLY A 42 5.956 -5.012 -5.226 1.00 0.66 C ATOM 650 C GLY A 42 6.966 -5.128 -4.108 1.00 0.64 C ATOM 651 O GLY A 42 7.607 -4.146 -3.740 1.00 0.70 O ATOM 0 H GLY A 42 5.294 -3.066 -4.834 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.479 -5.979 -5.384 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.470 -4.755 -6.152 1.00 0.66 H new ATOM 655 N VAL A 43 7.093 -6.324 -3.554 1.00 0.67 N ATOM 656 CA VAL A 43 8.030 -6.571 -2.466 1.00 0.71 C ATOM 657 C VAL A 43 8.901 -7.780 -2.781 1.00 0.74 C ATOM 658 O VAL A 43 8.431 -8.749 -3.374 1.00 0.82 O ATOM 659 CB VAL A 43 7.297 -6.827 -1.127 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.265 -6.755 0.040 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.152 -5.849 -0.928 1.00 0.80 C ATOM 0 H VAL A 43 6.557 -7.143 -3.841 1.00 0.67 H new ATOM 0 HA VAL A 43 8.646 -5.678 -2.366 1.00 0.71 H new ATOM 0 HB VAL A 43 6.878 -7.832 -1.168 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.727 -6.938 0.970 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.042 -7.509 -0.085 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.722 -5.766 0.073 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.658 -6.056 0.021 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.540 -4.831 -0.921 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.435 -5.958 -1.742 1.00 0.80 H new ATOM 671 N SER A 44 10.170 -7.711 -2.410 1.00 0.82 N ATOM 672 CA SER A 44 11.083 -8.817 -2.634 1.00 0.90 C ATOM 673 C SER A 44 10.861 -9.890 -1.577 1.00 1.01 C ATOM 674 O SER A 44 11.437 -9.858 -0.484 1.00 1.32 O ATOM 675 CB SER A 44 12.522 -8.338 -2.600 1.00 1.27 C ATOM 676 OG SER A 44 12.656 -7.084 -3.247 1.00 1.83 O ATOM 0 H SER A 44 10.589 -6.901 -1.953 1.00 0.82 H new ATOM 0 HA SER A 44 10.886 -9.239 -3.620 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.857 -8.255 -1.566 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.165 -9.072 -3.086 1.00 1.27 H new ATOM 0 HG SER A 44 12.013 -6.450 -2.867 1.00 1.83 H new ATOM 759 N GLY A 51 8.611 -7.833 6.815 1.00 1.01 N ATOM 760 CA GLY A 51 8.336 -6.739 7.722 1.00 1.11 C ATOM 761 C GLY A 51 8.375 -5.403 7.016 1.00 0.88 C ATOM 762 O GLY A 51 7.661 -4.470 7.388 1.00 0.86 O ATOM 0 HA2 GLY A 51 7.356 -6.881 8.177 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.067 -6.745 8.531 1.00 1.11 H new ATOM 766 N VAL A 52 9.202 -5.324 5.982 1.00 0.80 N ATOM 767 CA VAL A 52 9.354 -4.104 5.198 1.00 0.68 C ATOM 768 C VAL A 52 8.038 -3.723 4.519 1.00 0.58 C ATOM 769 O VAL A 52 7.616 -2.565 4.564 1.00 0.56 O ATOM 770 CB VAL A 52 10.453 -4.261 4.122 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.732 -2.934 3.426 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.728 -4.823 4.736 1.00 1.14 C ATOM 0 H VAL A 52 9.784 -6.099 5.664 1.00 0.80 H new ATOM 0 HA VAL A 52 9.646 -3.313 5.889 1.00 0.68 H new ATOM 0 HB VAL A 52 10.092 -4.965 3.372 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.509 -3.074 2.674 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.821 -2.577 2.945 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.066 -2.201 4.161 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.489 -4.926 3.963 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.087 -4.146 5.511 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.521 -5.799 5.174 1.00 1.14 H new ATOM 782 N GLY A 53 7.392 -4.708 3.903 1.00 0.59 N ATOM 783 CA GLY A 53 6.133 -4.464 3.224 1.00 0.58 C ATOM 784 C GLY A 53 5.045 -4.010 4.176 1.00 0.51 C ATOM 785 O GLY A 53 4.310 -3.063 3.887 1.00 0.50 O ATOM 0 H GLY A 53 7.719 -5.673 3.862 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.279 -3.706 2.454 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.813 -5.375 2.718 1.00 0.58 H new ATOM 789 N LYS A 54 4.956 -4.672 5.327 1.00 0.52 N ATOM 790 CA LYS A 54 3.952 -4.331 6.327 1.00 0.50 C ATOM 791 C LYS A 54 4.217 -2.949 6.911 1.00 0.48 C ATOM 792 O LYS A 54 3.282 -2.221 7.248 1.00 0.48 O ATOM 793 CB LYS A 54 3.926 -5.371 7.448 1.00 0.59 C ATOM 794 CG LYS A 54 3.609 -6.780 6.972 1.00 0.75 C ATOM 795 CD LYS A 54 3.077 -7.644 8.105 1.00 1.08 C ATOM 796 CE LYS A 54 1.572 -7.490 8.268 1.00 1.49 C ATOM 797 NZ LYS A 54 1.098 -7.990 9.587 1.00 2.02 N ATOM 0 H LYS A 54 5.567 -5.446 5.588 1.00 0.52 H new ATOM 0 HA LYS A 54 2.980 -4.323 5.833 1.00 0.50 H new ATOM 0 HB2 LYS A 54 4.894 -5.376 7.949 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.185 -5.073 8.190 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.873 -6.737 6.169 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.508 -7.236 6.556 1.00 0.75 H new ATOM 0 HD2 LYS A 54 3.317 -8.689 7.910 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.574 -7.371 9.036 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.302 -6.440 8.161 1.00 1.49 H new ATOM 0 HE3 LYS A 54 1.064 -8.033 7.471 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.457 -7.291 10.014 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 0.591 -8.889 9.456 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.913 -8.141 10.215 1.00 2.02 H new ATOM 811 N LYS A 55 5.496 -2.591 7.032 1.00 0.51 N ATOM 812 CA LYS A 55 5.877 -1.289 7.568 1.00 0.54 C ATOM 813 C LYS A 55 5.535 -0.179 6.578 1.00 0.47 C ATOM 814 O LYS A 55 5.081 0.895 6.974 1.00 0.48 O ATOM 815 CB LYS A 55 7.369 -1.256 7.910 1.00 0.65 C ATOM 816 CG LYS A 55 7.643 -1.145 9.402 1.00 1.28 C ATOM 817 CD LYS A 55 7.149 -2.370 10.156 1.00 1.72 C ATOM 818 CE LYS A 55 7.063 -2.110 11.651 1.00 2.30 C ATOM 819 NZ LYS A 55 8.367 -1.680 12.228 1.00 2.57 N ATOM 0 H LYS A 55 6.282 -3.184 6.766 1.00 0.51 H new ATOM 0 HA LYS A 55 5.311 -1.123 8.485 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.842 -2.160 7.527 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.833 -0.412 7.399 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.713 -1.023 9.568 1.00 1.28 H new ATOM 0 HG3 LYS A 55 7.155 -0.253 9.796 1.00 1.28 H new ATOM 0 HD2 LYS A 55 6.168 -2.659 9.779 1.00 1.72 H new ATOM 0 HD3 LYS A 55 7.821 -3.208 9.970 1.00 1.72 H new ATOM 0 HE2 LYS A 55 6.314 -1.342 11.841 1.00 2.30 H new ATOM 0 HE3 LYS A 55 6.726 -3.015 12.156 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 8.284 -1.613 13.263 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 9.101 -2.375 11.984 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 8.628 -0.751 11.841 1.00 2.57 H new ATOM 833 N LEU A 56 5.747 -0.445 5.293 1.00 0.46 N ATOM 834 CA LEU A 56 5.432 0.530 4.257 1.00 0.45 C ATOM 835 C LEU A 56 3.934 0.783 4.231 1.00 0.38 C ATOM 836 O LEU A 56 3.486 1.925 4.124 1.00 0.37 O ATOM 837 CB LEU A 56 5.909 0.049 2.886 1.00 0.54 C ATOM 838 CG LEU A 56 7.326 0.479 2.506 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.626 0.100 1.067 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.506 1.976 2.709 1.00 0.85 C ATOM 0 H LEU A 56 6.134 -1.323 4.946 1.00 0.46 H new ATOM 0 HA LEU A 56 5.953 1.459 4.487 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.857 -1.039 2.862 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.218 0.418 2.128 1.00 0.54 H new ATOM 0 HG LEU A 56 8.028 -0.042 3.157 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.638 0.413 0.812 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.540 -0.980 0.950 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.916 0.595 0.405 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.521 2.261 2.433 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.795 2.516 2.084 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.331 2.225 3.756 1.00 0.85 H new ATOM 852 N LEU A 57 3.170 -0.295 4.344 1.00 0.37 N ATOM 853 CA LEU A 57 1.719 -0.205 4.364 1.00 0.36 C ATOM 854 C LEU A 57 1.272 0.543 5.616 1.00 0.34 C ATOM 855 O LEU A 57 0.303 1.300 5.594 1.00 0.37 O ATOM 856 CB LEU A 57 1.101 -1.604 4.324 1.00 0.43 C ATOM 857 CG LEU A 57 -0.395 -1.651 4.013 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.672 -1.128 2.609 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.914 -3.070 4.165 1.00 0.71 C ATOM 0 H LEU A 57 3.534 -1.245 4.423 1.00 0.37 H new ATOM 0 HA LEU A 57 1.380 0.342 3.484 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.629 -2.195 3.576 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.270 -2.085 5.287 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.917 -1.008 4.722 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -1.743 -1.171 2.409 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.329 -0.096 2.531 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.142 -1.742 1.881 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.981 -3.093 3.941 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.384 -3.727 3.475 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.750 -3.410 5.188 1.00 0.71 H new ATOM 871 N LYS A 58 2.009 0.333 6.702 1.00 0.36 N ATOM 872 CA LYS A 58 1.728 0.991 7.972 1.00 0.42 C ATOM 873 C LYS A 58 1.875 2.501 7.824 1.00 0.41 C ATOM 874 O LYS A 58 1.059 3.264 8.335 1.00 0.44 O ATOM 875 CB LYS A 58 2.672 0.466 9.062 1.00 0.50 C ATOM 876 CG LYS A 58 2.839 1.409 10.245 1.00 0.74 C ATOM 877 CD LYS A 58 3.712 0.797 11.328 1.00 1.10 C ATOM 878 CE LYS A 58 4.189 1.844 12.322 1.00 1.13 C ATOM 879 NZ LYS A 58 3.065 2.443 13.093 1.00 1.39 N ATOM 0 H LYS A 58 2.813 -0.294 6.727 1.00 0.36 H new ATOM 0 HA LYS A 58 0.702 0.767 8.265 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.296 -0.491 9.424 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.650 0.277 8.620 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.282 2.345 9.905 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.860 1.651 10.659 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.152 0.024 11.854 1.00 1.10 H new ATOM 0 HD3 LYS A 58 4.573 0.311 10.870 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.899 1.389 13.013 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.722 2.632 11.789 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 3.430 3.198 13.709 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 2.365 2.841 12.434 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 2.614 1.709 13.676 1.00 1.39 H new ATOM 893 N ALA A 59 2.913 2.917 7.102 1.00 0.43 N ATOM 894 CA ALA A 59 3.169 4.332 6.869 1.00 0.48 C ATOM 895 C ALA A 59 1.986 4.972 6.156 1.00 0.44 C ATOM 896 O ALA A 59 1.575 6.084 6.486 1.00 0.47 O ATOM 897 CB ALA A 59 4.441 4.514 6.055 1.00 0.56 C ATOM 0 H ALA A 59 3.591 2.290 6.668 1.00 0.43 H new ATOM 0 HA ALA A 59 3.302 4.824 7.832 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.618 5.577 5.890 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.284 4.086 6.597 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.333 4.010 5.094 1.00 0.56 H new ATOM 903 N VAL A 60 1.434 4.253 5.183 1.00 0.39 N ATOM 904 CA VAL A 60 0.285 4.738 4.431 1.00 0.38 C ATOM 905 C VAL A 60 -0.928 4.857 5.351 1.00 0.37 C ATOM 906 O VAL A 60 -1.655 5.850 5.316 1.00 0.40 O ATOM 907 CB VAL A 60 -0.055 3.801 3.251 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.166 4.388 2.393 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.182 3.520 2.411 1.00 0.41 C ATOM 0 H VAL A 60 1.766 3.332 4.898 1.00 0.39 H new ATOM 0 HA VAL A 60 0.541 5.718 4.028 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.409 2.856 3.663 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.387 3.709 1.569 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.061 4.525 3.000 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.847 5.351 1.994 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.919 2.858 1.586 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.573 4.457 2.014 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.942 3.043 3.030 1.00 0.41 H new ATOM 919 N VAL A 61 -1.122 3.841 6.183 1.00 0.36 N ATOM 920 CA VAL A 61 -2.236 3.805 7.129 1.00 0.40 C ATOM 921 C VAL A 61 -2.136 4.948 8.140 1.00 0.44 C ATOM 922 O VAL A 61 -3.110 5.668 8.380 1.00 0.49 O ATOM 923 CB VAL A 61 -2.276 2.455 7.877 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.291 2.475 9.012 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.589 1.329 6.908 1.00 0.43 C ATOM 0 H VAL A 61 -0.516 3.021 6.223 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.156 3.923 6.557 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.293 2.286 8.315 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.292 1.509 9.516 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.025 3.256 9.724 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.284 2.675 8.609 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.615 0.382 7.447 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.558 1.508 6.443 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.819 1.287 6.138 1.00 0.43 H new ATOM 935 N GLU A 62 -0.955 5.110 8.720 1.00 0.47 N ATOM 936 CA GLU A 62 -0.715 6.157 9.702 1.00 0.54 C ATOM 937 C GLU A 62 -0.913 7.536 9.074 1.00 0.55 C ATOM 938 O GLU A 62 -1.553 8.414 9.661 1.00 0.61 O ATOM 939 CB GLU A 62 0.701 6.032 10.262 1.00 0.61 C ATOM 940 CG GLU A 62 0.752 5.826 11.767 1.00 1.05 C ATOM 941 CD GLU A 62 0.249 4.464 12.199 1.00 1.17 C ATOM 942 OE1 GLU A 62 0.934 3.457 11.932 1.00 1.53 O ATOM 943 OE2 GLU A 62 -0.827 4.395 12.835 1.00 1.76 O ATOM 0 H GLU A 62 -0.143 4.525 8.525 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.431 6.042 10.516 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.202 5.196 9.774 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.262 6.932 10.009 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.779 5.953 12.110 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.156 6.598 12.254 1.00 1.05 H new ATOM 950 N HIS A 63 -0.370 7.712 7.871 1.00 0.54 N ATOM 951 CA HIS A 63 -0.480 8.978 7.150 1.00 0.61 C ATOM 952 C HIS A 63 -1.928 9.246 6.747 1.00 0.61 C ATOM 953 O HIS A 63 -2.363 10.400 6.677 1.00 0.69 O ATOM 954 CB HIS A 63 0.419 8.972 5.911 1.00 0.67 C ATOM 955 CG HIS A 63 0.532 10.306 5.246 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.890 11.454 5.917 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.322 10.674 3.962 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.896 12.468 5.075 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.555 12.023 3.881 1.00 1.04 N ATOM 0 H HIS A 63 0.152 6.991 7.374 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.152 9.776 7.816 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.415 8.632 6.197 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.030 8.250 5.194 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.115 11.511 6.910 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.026 10.026 3.151 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.139 13.491 5.321 1.00 0.97 H new ATOM 968 N ALA A 64 -2.665 8.178 6.476 1.00 0.56 N ATOM 969 CA ALA A 64 -4.063 8.293 6.097 1.00 0.62 C ATOM 970 C ALA A 64 -4.860 8.919 7.228 1.00 0.70 C ATOM 971 O ALA A 64 -5.625 9.850 7.010 1.00 0.85 O ATOM 972 CB ALA A 64 -4.637 6.936 5.727 1.00 0.61 C ATOM 0 H ALA A 64 -2.315 7.220 6.512 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.131 8.937 5.221 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.684 7.048 5.447 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.079 6.522 4.887 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.560 6.263 6.581 1.00 0.61 H new ATOM 978 N ARG A 65 -4.644 8.429 8.444 1.00 0.69 N ATOM 979 CA ARG A 65 -5.341 8.953 9.614 1.00 0.82 C ATOM 980 C ARG A 65 -5.017 10.432 9.818 1.00 0.85 C ATOM 981 O ARG A 65 -5.855 11.198 10.293 1.00 0.96 O ATOM 982 CB ARG A 65 -4.957 8.172 10.868 1.00 0.89 C ATOM 983 CG ARG A 65 -6.013 8.221 11.960 1.00 1.36 C ATOM 984 CD ARG A 65 -7.110 7.199 11.712 1.00 1.44 C ATOM 985 NE ARG A 65 -8.448 7.754 11.906 1.00 2.20 N ATOM 986 CZ ARG A 65 -9.559 7.016 11.909 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.481 5.697 11.773 1.00 1.87 N ATOM 988 NH2 ARG A 65 -10.744 7.591 12.057 1.00 3.12 N ATOM 0 H ARG A 65 -3.993 7.670 8.646 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.411 8.842 9.440 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.774 7.132 10.597 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.021 8.569 11.261 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.548 8.031 12.927 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.447 9.220 12.005 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.023 6.817 10.695 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.971 6.352 12.384 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.537 8.760 12.047 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.571 5.248 11.666 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.331 5.133 11.775 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -10.810 8.603 12.169 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -11.590 7.022 12.059 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.798 10.820 9.454 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.360 12.207 9.587 1.00 0.88 C ATOM 1004 C GLU A 66 -4.271 13.154 8.810 1.00 0.89 C ATOM 1005 O GLU A 66 -4.755 14.149 9.344 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.933 12.379 9.066 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.868 11.666 9.879 1.00 1.05 C ATOM 1008 CD GLU A 66 0.529 12.000 9.395 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.097 13.018 9.842 1.00 1.38 O ATOM 1010 OE2 GLU A 66 1.078 11.229 8.582 1.00 1.82 O ATOM 0 H GLU A 66 -3.095 10.193 9.064 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.401 12.452 10.648 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.890 12.016 8.039 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.697 13.443 9.038 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.965 11.944 10.928 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.025 10.589 9.819 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.513 12.828 7.548 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.339 13.671 6.689 1.00 0.87 C ATOM 1019 C ASN A 67 -6.758 13.131 6.544 1.00 0.89 C ATOM 1020 O ASN A 67 -7.498 13.563 5.663 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.690 13.807 5.310 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.501 14.746 5.314 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.629 15.934 5.026 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.330 14.221 5.641 1.00 1.09 N ATOM 0 H ASN A 67 -4.151 11.989 7.095 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.408 14.650 7.163 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.370 12.824 4.965 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.432 14.169 4.598 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.496 14.807 5.660 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.263 13.230 5.874 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.132 12.192 7.412 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.470 11.584 7.386 1.00 0.94 C ATOM 1033 C ASN A 68 -8.774 10.993 6.007 1.00 0.87 C ATOM 1034 O ASN A 68 -9.878 11.135 5.472 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.541 12.612 7.772 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.856 11.956 8.158 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.874 10.843 8.683 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.962 12.636 7.901 1.00 2.18 N ATOM 0 H ASN A 68 -6.525 11.831 8.148 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.486 10.776 8.117 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.180 13.215 8.605 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.708 13.291 6.936 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.871 12.240 8.139 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.905 13.556 7.465 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.784 10.319 5.447 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.909 9.707 4.137 1.00 0.73 C ATOM 1047 C LEU A 69 -8.419 8.278 4.254 1.00 0.70 C ATOM 1048 O LEU A 69 -8.257 7.627 5.287 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.555 9.713 3.415 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.864 11.076 3.315 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.470 10.922 2.721 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.696 12.044 2.484 1.00 0.77 C ATOM 0 H LEU A 69 -6.874 10.181 5.887 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.627 10.289 3.560 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.886 9.024 3.930 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.699 9.324 2.407 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.769 11.487 4.320 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.992 11.899 2.656 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.874 10.268 3.357 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.545 10.488 1.724 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.186 13.006 2.426 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.827 11.642 1.479 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.672 12.178 2.951 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.043 7.809 3.188 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.572 6.458 3.130 1.00 0.70 C ATOM 1066 C LYS A 70 -8.728 5.653 2.156 1.00 0.62 C ATOM 1067 O LYS A 70 -8.422 6.126 1.060 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.044 6.471 2.698 1.00 0.76 C ATOM 1069 CG LYS A 70 -11.991 7.025 3.758 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.953 8.545 3.812 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.675 9.076 5.038 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.608 10.560 5.123 1.00 3.05 N ATOM 0 H LYS A 70 -9.197 8.353 2.339 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.527 6.000 4.118 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.141 7.066 1.790 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.349 5.455 2.447 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.008 6.694 3.545 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.721 6.620 4.733 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.917 8.884 3.823 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.413 8.954 2.912 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.718 8.761 5.010 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.235 8.641 5.935 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -13.169 10.887 5.935 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.619 10.856 5.244 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.989 10.975 4.249 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.350 4.448 2.545 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.497 3.623 1.703 1.00 0.57 C ATOM 1088 C ILE A 71 -8.270 2.552 0.943 1.00 0.56 C ATOM 1089 O ILE A 71 -9.196 1.928 1.468 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.380 2.943 2.526 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.699 3.959 3.442 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.355 2.294 1.603 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.614 3.361 4.310 1.00 0.86 C ATOM 0 H ILE A 71 -8.617 4.020 3.432 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.057 4.306 0.976 1.00 0.57 H new ATOM 0 HB ILE A 71 -6.832 2.166 3.142 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.268 4.753 2.833 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.451 4.420 4.082 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -4.576 1.820 2.200 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -5.846 1.542 0.985 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -4.909 3.055 0.963 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.176 4.141 4.933 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.042 2.586 4.946 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -3.841 2.925 3.677 1.00 0.86 H new ATOM 1105 N ILE A 72 -7.870 2.378 -0.309 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.427 1.379 -1.206 1.00 0.54 C ATOM 1107 C ILE A 72 -7.287 0.862 -2.077 1.00 0.50 C ATOM 1108 O ILE A 72 -6.279 1.549 -2.230 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.559 1.945 -2.094 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.303 3.419 -2.435 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -10.907 1.776 -1.406 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.373 4.036 -3.311 1.00 0.99 C ATOM 0 H ILE A 72 -7.134 2.940 -0.737 1.00 0.53 H new ATOM 0 HA ILE A 72 -8.873 0.579 -0.615 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.575 1.383 -3.028 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.230 3.990 -1.509 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.340 3.504 -2.938 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.694 2.179 -2.043 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.093 0.717 -1.225 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -10.900 2.310 -0.456 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.124 5.078 -3.510 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.431 3.491 -4.253 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.335 3.984 -2.802 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.409 -0.331 -2.636 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.328 -0.869 -3.451 1.00 0.43 C ATOM 1126 C ALA A 73 -6.831 -1.712 -4.613 1.00 0.43 C ATOM 1127 O ALA A 73 -7.784 -2.483 -4.475 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.380 -1.687 -2.586 1.00 0.50 C ATOM 0 H ALA A 73 -8.226 -0.935 -2.545 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.798 -0.018 -3.880 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.575 -2.085 -3.204 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -4.959 -1.052 -1.807 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -5.926 -2.511 -2.127 1.00 0.50 H new ATOM 1134 N SER A 74 -6.184 -1.551 -5.758 1.00 0.48 N ATOM 1135 CA SER A 74 -6.521 -2.307 -6.950 1.00 0.53 C ATOM 1136 C SER A 74 -5.757 -3.625 -6.940 1.00 0.46 C ATOM 1137 O SER A 74 -6.266 -4.662 -7.372 1.00 0.55 O ATOM 1138 CB SER A 74 -6.177 -1.493 -8.196 1.00 0.69 C ATOM 1139 OG SER A 74 -6.582 -0.144 -8.038 1.00 0.94 O ATOM 0 H SER A 74 -5.414 -0.894 -5.884 1.00 0.48 H new ATOM 0 HA SER A 74 -7.590 -2.517 -6.964 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.104 -1.537 -8.381 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.668 -1.926 -9.067 1.00 0.69 H new ATOM 0 HG SER A 74 -6.654 0.281 -8.918 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.533 -3.577 -6.424 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.699 -4.762 -6.328 1.00 0.48 C ATOM 1147 C CYS A 75 -4.272 -5.708 -5.277 1.00 0.45 C ATOM 1148 O CYS A 75 -4.472 -5.316 -4.125 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.265 -4.373 -5.973 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.126 -2.799 -5.101 1.00 1.31 S ATOM 0 H CYS A 75 -4.099 -2.726 -6.066 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.686 -5.270 -7.292 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.829 -5.158 -5.356 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.676 -4.323 -6.889 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.005 -2.765 -4.443 1.00 1.31 H new ATOM 1156 N SER A 76 -4.536 -6.944 -5.678 1.00 0.57 N ATOM 1157 CA SER A 76 -5.110 -7.946 -4.787 1.00 0.64 C ATOM 1158 C SER A 76 -4.280 -8.134 -3.514 1.00 0.61 C ATOM 1159 O SER A 76 -4.835 -8.307 -2.430 1.00 0.61 O ATOM 1160 CB SER A 76 -5.252 -9.270 -5.533 1.00 0.82 C ATOM 1161 OG SER A 76 -5.695 -9.047 -6.863 1.00 1.12 O ATOM 0 H SER A 76 -4.360 -7.280 -6.625 1.00 0.57 H new ATOM 0 HA SER A 76 -6.092 -7.592 -4.474 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.295 -9.792 -5.545 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.960 -9.914 -5.011 1.00 0.82 H new ATOM 0 HG SER A 76 -5.779 -9.906 -7.328 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.958 -8.091 -3.644 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.077 -8.252 -2.493 1.00 0.62 C ATOM 1169 C PHE A 77 -2.312 -7.150 -1.463 1.00 0.55 C ATOM 1170 O PHE A 77 -2.589 -7.436 -0.301 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.606 -8.256 -2.919 1.00 0.68 C ATOM 1172 CG PHE A 77 0.333 -8.492 -1.769 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.468 -9.752 -1.211 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.098 -7.454 -1.265 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.346 -9.972 -0.167 1.00 0.93 C ATOM 1176 CE2 PHE A 77 1.974 -7.666 -0.220 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.035 -8.933 0.381 1.00 0.95 C ATOM 0 H PHE A 77 -2.475 -7.947 -4.531 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.312 -9.214 -2.038 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.453 -9.029 -3.672 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.366 -7.302 -3.388 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -0.120 -10.572 -1.596 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.008 -6.467 -1.695 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.486 -10.972 0.216 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.607 -6.865 0.132 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.625 -9.083 1.273 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.209 -5.895 -1.892 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.409 -4.761 -0.997 1.00 0.46 C ATOM 1189 C ALA A 78 -3.827 -4.748 -0.444 1.00 0.44 C ATOM 1190 O ALA A 78 -4.042 -4.473 0.738 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.111 -3.454 -1.712 1.00 0.47 C ATOM 0 H ALA A 78 -1.988 -5.638 -2.854 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.716 -4.867 -0.162 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.266 -2.621 -1.027 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.076 -3.454 -2.054 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.776 -3.348 -2.569 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.788 -5.063 -1.304 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.188 -5.101 -0.907 1.00 0.47 C ATOM 1199 C LYS A 79 -6.393 -6.142 0.188 1.00 0.52 C ATOM 1200 O LYS A 79 -7.056 -5.884 1.191 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.081 -5.417 -2.114 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.568 -5.277 -1.831 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.244 -6.629 -1.652 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.694 -6.474 -1.217 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.820 -6.315 0.257 1.00 1.27 N ATOM 0 H LYS A 79 -4.622 -5.296 -2.283 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.467 -4.121 -0.519 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.813 -4.753 -2.936 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.878 -6.435 -2.447 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.711 -4.678 -0.932 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -9.044 -4.739 -2.651 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.201 -7.185 -2.588 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.701 -7.213 -0.909 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.131 -5.608 -1.714 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.264 -7.346 -1.538 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.822 -6.196 0.509 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.442 -7.160 0.731 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.284 -5.478 0.563 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.800 -7.313 -0.009 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.907 -8.400 0.952 1.00 0.64 C ATOM 1221 C HIS A 80 -5.064 -8.112 2.192 1.00 0.60 C ATOM 1222 O HIS A 80 -5.331 -8.643 3.266 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.479 -9.722 0.310 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.698 -10.923 1.179 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.942 -11.346 1.594 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.814 -11.808 1.697 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -6.811 -12.438 2.321 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -5.532 -12.742 2.400 1.00 1.13 N ATOM 0 H HIS A 80 -5.237 -7.533 -0.831 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.949 -8.483 1.260 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -6.029 -9.856 -0.622 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.422 -9.662 0.051 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -7.825 -10.886 1.373 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -3.741 -11.783 1.579 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -7.619 -12.992 2.776 1.00 1.21 H new ATOM 1237 N MET A 81 -4.046 -7.277 2.036 1.00 0.58 N ATOM 1238 CA MET A 81 -3.173 -6.917 3.146 1.00 0.59 C ATOM 1239 C MET A 81 -3.940 -6.114 4.190 1.00 0.54 C ATOM 1240 O MET A 81 -3.949 -6.462 5.370 1.00 0.58 O ATOM 1241 CB MET A 81 -1.971 -6.113 2.648 1.00 0.64 C ATOM 1242 CG MET A 81 -0.719 -6.949 2.440 1.00 1.25 C ATOM 1243 SD MET A 81 0.602 -6.535 3.599 1.00 1.51 S ATOM 1244 CE MET A 81 -0.239 -6.715 5.170 1.00 1.09 C ATOM 0 H MET A 81 -3.803 -6.835 1.149 1.00 0.58 H new ATOM 0 HA MET A 81 -2.812 -7.837 3.605 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.234 -5.629 1.708 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.753 -5.321 3.364 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.971 -8.004 2.546 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.359 -6.808 1.421 1.00 1.25 H new ATOM 0 HE1 MET A 81 0.458 -6.508 5.982 1.00 1.09 H new ATOM 0 HE2 MET A 81 -1.072 -6.014 5.219 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.616 -7.733 5.266 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.597 -5.050 3.742 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.379 -4.197 4.632 1.00 0.51 C ATOM 1256 C LEU A 82 -6.624 -4.938 5.109 1.00 0.56 C ATOM 1257 O LEU A 82 -7.162 -4.664 6.180 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.787 -2.915 3.904 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.638 -2.093 3.321 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.047 -1.478 1.993 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.207 -1.006 4.296 1.00 0.49 C ATOM 0 H LEU A 82 -4.604 -4.756 2.765 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.767 -3.938 5.496 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.468 -3.179 3.095 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.345 -2.286 4.598 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.792 -2.759 3.151 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.218 -0.896 1.591 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.309 -2.269 1.291 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -5.908 -0.827 2.143 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.388 -0.432 3.862 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.048 -0.343 4.497 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -3.875 -1.464 5.228 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.067 -5.876 4.285 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.240 -6.693 4.574 1.00 0.70 C ATOM 1275 C GLU A 83 -7.939 -7.703 5.681 1.00 0.68 C ATOM 1276 O GLU A 83 -8.777 -7.973 6.539 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.659 -7.411 3.289 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.814 -8.384 3.435 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.978 -9.241 2.198 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.649 -8.795 1.242 1.00 1.45 O ATOM 1281 OE2 GLU A 83 -9.466 -10.383 2.187 1.00 1.46 O ATOM 0 H GLU A 83 -6.622 -6.094 3.393 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.053 -6.057 4.924 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.929 -6.661 2.545 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -7.797 -7.952 2.898 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -9.645 -9.023 4.302 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -10.735 -7.832 3.621 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.737 -8.254 5.649 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.314 -9.237 6.633 1.00 0.69 C ATOM 1290 C LYS A 84 -5.872 -8.553 7.923 1.00 0.68 C ATOM 1291 O LYS A 84 -6.238 -8.979 9.021 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.173 -10.081 6.056 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.892 -11.361 6.827 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.808 -11.159 7.873 1.00 1.43 C ATOM 1295 CE LYS A 84 -3.462 -12.460 8.578 1.00 1.94 C ATOM 1296 NZ LYS A 84 -4.643 -13.061 9.248 1.00 2.33 N ATOM 0 H LYS A 84 -6.031 -8.035 4.946 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.157 -9.887 6.869 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.412 -10.337 5.024 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.266 -9.478 6.033 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -5.807 -11.702 7.312 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.587 -12.145 6.133 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.915 -10.753 7.398 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -4.141 -10.425 8.606 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -3.057 -13.168 7.855 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -2.681 -12.276 9.316 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -4.335 -13.848 9.854 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -5.116 -12.341 9.830 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -5.306 -13.416 8.530 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.092 -7.489 7.782 1.00 0.84 N ATOM 1311 CA GLU A 85 -4.595 -6.750 8.931 1.00 0.96 C ATOM 1312 C GLU A 85 -5.707 -5.914 9.558 1.00 0.93 C ATOM 1313 O GLU A 85 -6.051 -4.840 9.065 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.424 -5.853 8.521 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.716 -5.195 9.698 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.174 -6.194 10.693 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.226 -6.929 10.353 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -2.689 -6.244 11.829 1.00 1.60 O ATOM 0 H GLU A 85 -4.790 -7.119 6.880 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.244 -7.467 9.673 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -2.702 -6.447 7.960 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -3.790 -5.077 7.849 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -1.897 -4.581 9.325 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.411 -4.526 10.205 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.256 -6.414 10.658 1.00 1.07 N ATOM 1326 CA ASP A 86 -7.336 -5.731 11.366 1.00 1.10 C ATOM 1327 C ASP A 86 -6.869 -4.376 11.888 1.00 1.02 C ATOM 1328 O ASP A 86 -7.661 -3.444 12.032 1.00 0.99 O ATOM 1329 CB ASP A 86 -7.839 -6.609 12.518 1.00 1.36 C ATOM 1330 CG ASP A 86 -8.807 -5.892 13.436 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -9.980 -5.710 13.043 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -8.405 -5.495 14.548 1.00 2.66 O ATOM 0 H ASP A 86 -5.970 -7.296 11.083 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.156 -5.557 10.670 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.326 -7.493 12.107 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -6.986 -6.957 13.100 1.00 1.36 H new ATOM 1337 N SER A 87 -5.573 -4.264 12.136 1.00 1.05 N ATOM 1338 CA SER A 87 -4.985 -3.031 12.639 1.00 1.08 C ATOM 1339 C SER A 87 -5.042 -1.906 11.602 1.00 0.93 C ATOM 1340 O SER A 87 -4.862 -0.741 11.941 1.00 0.97 O ATOM 1341 CB SER A 87 -3.534 -3.280 13.051 1.00 1.27 C ATOM 1342 OG SER A 87 -3.407 -4.516 13.740 1.00 1.46 O ATOM 0 H SER A 87 -4.903 -5.020 11.996 1.00 1.05 H new ATOM 0 HA SER A 87 -5.568 -2.715 13.504 1.00 1.08 H new ATOM 0 HB2 SER A 87 -2.897 -3.285 12.167 1.00 1.27 H new ATOM 0 HB3 SER A 87 -3.188 -2.466 13.689 1.00 1.27 H new ATOM 0 HG SER A 87 -2.979 -5.175 13.154 1.00 1.46 H new ATOM 1348 N TYR A 88 -5.286 -2.250 10.341 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.350 -1.244 9.282 1.00 0.88 C ATOM 1350 C TYR A 88 -6.784 -1.051 8.801 1.00 0.89 C ATOM 1351 O TYR A 88 -7.045 -0.262 7.893 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.477 -1.652 8.090 1.00 0.93 C ATOM 1353 CG TYR A 88 -2.999 -1.824 8.398 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -2.448 -1.241 9.531 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.161 -2.562 7.569 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.107 -1.386 9.831 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -0.818 -2.713 7.864 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.288 -2.154 8.928 1.00 0.93 C ATOM 1359 OH TYR A 88 1.040 -2.263 9.293 1.00 1.00 O ATOM 0 H TYR A 88 -5.442 -3.208 10.028 1.00 0.91 H new ATOM 0 HA TYR A 88 -4.980 -0.308 9.699 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -4.859 -2.589 7.685 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.584 -0.900 7.308 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.079 -0.663 10.190 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.565 -3.025 6.681 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -0.685 -0.936 10.717 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.194 -3.301 7.208 1.00 0.97 H new ATOM 0 HH TYR A 88 1.600 -2.277 8.489 1.00 1.00 H new ATOM 1369 N GLN A 89 -7.715 -1.754 9.429 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.121 -1.679 9.045 1.00 1.18 C ATOM 1371 C GLN A 89 -9.807 -0.438 9.611 1.00 1.16 C ATOM 1372 O GLN A 89 -11.032 -0.321 9.560 1.00 1.26 O ATOM 1373 CB GLN A 89 -9.857 -2.935 9.508 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.088 -3.942 8.396 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.257 -3.561 7.504 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.097 -2.851 6.514 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -12.444 -4.028 7.852 1.00 2.33 N ATOM 0 H GLN A 89 -7.524 -2.384 10.208 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.158 -1.609 7.958 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -9.285 -3.410 10.305 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -10.818 -2.648 9.934 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -9.185 -4.025 7.791 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -10.272 -4.924 8.831 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.538 -4.615 8.681 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -13.266 -3.801 7.292 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.026 0.491 10.143 1.00 1.11 N ATOM 1387 CA ASP A 90 -9.583 1.714 10.707 1.00 1.17 C ATOM 1388 C ASP A 90 -9.690 2.800 9.638 1.00 1.09 C ATOM 1389 O ASP A 90 -10.521 3.701 9.742 1.00 1.33 O ATOM 1390 CB ASP A 90 -8.742 2.199 11.894 1.00 1.18 C ATOM 1391 CG ASP A 90 -7.453 2.872 11.477 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -6.620 2.211 10.825 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -7.274 4.067 11.783 1.00 2.03 O ATOM 0 H ASP A 90 -8.010 0.423 10.196 1.00 1.11 H new ATOM 0 HA ASP A 90 -10.587 1.495 11.072 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.332 2.896 12.488 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.509 1.350 12.537 1.00 1.18 H new ATOM 1398 N VAL A 91 -8.849 2.711 8.615 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.874 3.682 7.525 1.00 0.79 C ATOM 1400 C VAL A 91 -9.096 2.992 6.183 1.00 0.73 C ATOM 1401 O VAL A 91 -9.225 3.646 5.148 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.581 4.520 7.454 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.591 5.607 8.518 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.353 3.634 7.600 1.00 0.78 C ATOM 0 H VAL A 91 -8.144 1.981 8.516 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.706 4.355 7.735 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.537 4.998 6.475 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.671 6.188 8.453 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.447 6.263 8.360 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.662 5.150 9.505 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.453 4.247 7.547 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.386 3.121 8.561 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.338 2.898 6.797 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.135 1.669 6.206 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.356 0.902 4.993 1.00 0.71 C ATOM 1416 C TYR A 92 -10.846 0.652 4.806 1.00 0.80 C ATOM 1417 O TYR A 92 -11.542 0.265 5.744 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.589 -0.427 5.039 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.873 -1.336 3.859 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.788 -0.858 2.557 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.235 -2.663 4.046 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.058 -1.675 1.478 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.508 -3.486 2.969 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.418 -2.986 1.689 1.00 1.02 C ATOM 1425 OH TYR A 92 -9.699 -3.796 0.614 1.00 1.14 O ATOM 0 H TYR A 92 -9.017 1.107 7.049 1.00 0.72 H new ATOM 0 HA TYR A 92 -8.982 1.475 4.145 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.520 -0.218 5.076 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.844 -0.952 5.960 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.506 0.170 2.387 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.304 -3.059 5.048 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -8.987 -1.287 0.473 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -9.790 -4.516 3.131 1.00 1.02 H new ATOM 0 HH TYR A 92 -9.879 -3.242 -0.174 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.329 0.877 3.594 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.738 0.685 3.284 1.00 0.84 C ATOM 1437 C LEU A 93 -13.036 -0.779 2.964 1.00 1.05 C ATOM 1438 O LEU A 93 -13.725 -1.086 1.991 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.141 1.573 2.105 1.00 0.87 C ATOM 1440 CG LEU A 93 -12.962 3.073 2.329 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.281 3.840 1.056 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.841 3.553 3.477 1.00 1.42 C ATOM 0 H LEU A 93 -10.764 1.194 2.806 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.321 0.966 4.161 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.556 1.280 1.233 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.187 1.380 1.866 1.00 0.87 H new ATOM 0 HG LEU A 93 -11.921 3.260 2.594 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.149 4.908 1.232 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -12.611 3.518 0.259 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.313 3.646 0.763 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.699 4.624 3.621 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.887 3.354 3.242 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.567 3.025 4.390 1.00 1.42 H new