USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 13 THR OG1 : rot -22:sc= 0.809 USER MOD Set 1.2: A 16 LYS NZ :NH3+ 158:sc= 1.43 (180deg=-0.185) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0996 USER MOD Set 2.2: A 9 LYS NZ :NH3+ 153:sc= 0.0792 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.894 K(o=-0.89,f=-0.089) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 110:sc= 0.932 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.543 K(o=-0.54,f=-6!) USER MOD Single : A 20 GLN : amide:sc= 0.284 X(o=0.28,f=0) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.262 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 27 ASN : amide:sc= -3.46! C(o=-3.5!,f=-13!) USER MOD Single : A 30 SER OG : rot 65:sc= 1.2 USER MOD Single : A 32 ASN : amide:sc= 1.42 K(o=1.4,f=-9.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.53! C(o=-3.5!,f=-1.9!) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.101 (180deg=-0.502) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0417 (180deg=-0.293) USER MOD Single : A 51 SER OG : rot 180:sc= -0.138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.489 12.260 -13.096 1.00 0.00 N ATOM 2 CA GLY A 1 1.446 12.699 -12.053 1.00 0.00 C ATOM 3 C GLY A 1 2.543 11.683 -11.829 1.00 0.00 C ATOM 4 O GLY A 1 3.384 11.459 -12.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.247 12.984 -13.219 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.994 12.123 -13.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.048 11.364 -12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.888 13.652 -12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.912 12.868 -11.118 1.00 0.00 H new ATOM 8 N THR A 2 2.540 11.067 -10.658 1.00 0.00 N ATOM 9 CA THR A 2 3.514 10.044 -10.333 1.00 0.00 C ATOM 10 C THR A 2 2.889 9.003 -9.405 1.00 0.00 C ATOM 11 O THR A 2 1.980 9.316 -8.633 1.00 0.00 O ATOM 12 CB THR A 2 4.779 10.657 -9.684 1.00 0.00 C ATOM 13 OG1 THR A 2 5.803 9.664 -9.551 1.00 0.00 O ATOM 14 CG2 THR A 2 4.470 11.258 -8.318 1.00 0.00 C ATOM 0 H THR A 2 1.869 11.261 -9.915 1.00 0.00 H new ATOM 0 HA THR A 2 3.819 9.558 -11.260 1.00 0.00 H new ATOM 0 HB THR A 2 5.129 11.455 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.597 10.066 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.380 11.679 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.723 12.044 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.085 10.481 -7.657 1.00 0.00 H new ATOM 22 N ASN A 3 3.352 7.766 -9.504 1.00 0.00 N ATOM 23 CA ASN A 3 2.814 6.677 -8.701 1.00 0.00 C ATOM 24 C ASN A 3 3.946 5.803 -8.188 1.00 0.00 C ATOM 25 O ASN A 3 4.824 5.411 -8.954 1.00 0.00 O ATOM 26 CB ASN A 3 1.848 5.817 -9.531 1.00 0.00 C ATOM 27 CG ASN A 3 0.678 6.606 -10.093 1.00 0.00 C ATOM 28 OD1 ASN A 3 0.765 7.173 -11.181 1.00 0.00 O ATOM 29 ND2 ASN A 3 -0.429 6.637 -9.366 1.00 0.00 N ATOM 0 H ASN A 3 4.103 7.490 -10.136 1.00 0.00 H new ATOM 0 HA ASN A 3 2.272 7.109 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.396 5.357 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.467 5.007 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.247 7.144 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.463 6.154 -8.468 1.00 0.00 H new ATOM 36 N THR A 4 3.942 5.499 -6.901 1.00 0.00 N ATOM 37 CA THR A 4 4.934 4.610 -6.352 1.00 0.00 C ATOM 38 C THR A 4 4.273 3.289 -5.984 1.00 0.00 C ATOM 39 O THR A 4 3.828 3.094 -4.860 1.00 0.00 O ATOM 40 CB THR A 4 5.614 5.241 -5.118 1.00 0.00 C ATOM 41 OG1 THR A 4 6.162 6.518 -5.472 1.00 0.00 O ATOM 42 CG2 THR A 4 6.717 4.344 -4.568 1.00 0.00 C ATOM 0 H THR A 4 3.265 5.855 -6.226 1.00 0.00 H new ATOM 0 HA THR A 4 5.707 4.431 -7.100 1.00 0.00 H new ATOM 0 HB THR A 4 4.860 5.362 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.592 6.918 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.174 4.820 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.293 3.384 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.474 4.186 -5.336 1.00 0.00 H new ATOM 50 N TYR A 5 4.147 2.394 -6.943 1.00 0.00 N ATOM 51 CA TYR A 5 3.507 1.128 -6.656 1.00 0.00 C ATOM 52 C TYR A 5 4.532 0.156 -6.080 1.00 0.00 C ATOM 53 O TYR A 5 5.563 -0.128 -6.694 1.00 0.00 O ATOM 54 CB TYR A 5 2.802 0.539 -7.887 1.00 0.00 C ATOM 55 CG TYR A 5 3.484 0.811 -9.212 1.00 0.00 C ATOM 56 CD1 TYR A 5 4.592 0.082 -9.617 1.00 0.00 C ATOM 57 CD2 TYR A 5 2.997 1.792 -10.066 1.00 0.00 C ATOM 58 CE1 TYR A 5 5.199 0.323 -10.835 1.00 0.00 C ATOM 59 CE2 TYR A 5 3.599 2.043 -11.286 1.00 0.00 C ATOM 60 CZ TYR A 5 4.701 1.306 -11.666 1.00 0.00 C ATOM 61 OH TYR A 5 5.301 1.542 -12.885 1.00 0.00 O ATOM 0 H TYR A 5 4.470 2.514 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 5 2.727 1.302 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.716 -0.540 -7.755 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.788 0.937 -7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.987 -0.687 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.133 2.369 -9.772 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.060 -0.256 -11.135 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.208 2.811 -11.937 1.00 0.00 H new ATOM 0 HH TYR A 5 4.828 2.265 -13.348 1.00 0.00 H new ATOM 71 N TYR A 6 4.229 -0.345 -4.900 1.00 0.00 N ATOM 72 CA TYR A 6 5.186 -1.065 -4.081 1.00 0.00 C ATOM 73 C TYR A 6 4.738 -2.506 -3.850 1.00 0.00 C ATOM 74 O TYR A 6 3.560 -2.768 -3.601 1.00 0.00 O ATOM 75 CB TYR A 6 5.337 -0.289 -2.759 1.00 0.00 C ATOM 76 CG TYR A 6 5.684 -1.106 -1.528 1.00 0.00 C ATOM 77 CD1 TYR A 6 7.004 -1.343 -1.165 1.00 0.00 C ATOM 78 CD2 TYR A 6 4.679 -1.608 -0.707 1.00 0.00 C ATOM 79 CE1 TYR A 6 7.312 -2.065 -0.024 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.979 -2.324 0.435 1.00 0.00 C ATOM 81 CZ TYR A 6 6.295 -2.551 0.772 1.00 0.00 C ATOM 82 OH TYR A 6 6.595 -3.265 1.910 1.00 0.00 O ATOM 0 H TYR A 6 3.304 -0.264 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 6 6.151 -1.128 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.109 0.468 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.403 0.239 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.802 -0.958 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.645 -1.434 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.343 -2.247 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.185 -2.704 1.061 1.00 0.00 H new ATOM 0 HH TYR A 6 6.367 -2.732 2.700 1.00 0.00 H new ATOM 92 N THR A 7 5.671 -3.442 -3.977 1.00 0.00 N ATOM 93 CA THR A 7 5.393 -4.826 -3.634 1.00 0.00 C ATOM 94 C THR A 7 5.506 -5.019 -2.144 1.00 0.00 C ATOM 95 O THR A 7 6.527 -4.683 -1.544 1.00 0.00 O ATOM 96 CB THR A 7 6.322 -5.833 -4.334 1.00 0.00 C ATOM 97 OG1 THR A 7 7.642 -5.296 -4.496 1.00 0.00 O ATOM 98 CG2 THR A 7 5.738 -6.250 -5.666 1.00 0.00 C ATOM 0 H THR A 7 6.618 -3.267 -4.312 1.00 0.00 H new ATOM 0 HA THR A 7 4.379 -5.024 -3.981 1.00 0.00 H new ATOM 0 HB THR A 7 6.404 -6.717 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.212 -5.957 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.406 -6.962 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.765 -6.715 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.621 -5.373 -6.303 1.00 0.00 H new ATOM 106 N VAL A 8 4.457 -5.559 -1.562 1.00 0.00 N ATOM 107 CA VAL A 8 4.383 -5.734 -0.125 1.00 0.00 C ATOM 108 C VAL A 8 5.556 -6.568 0.388 1.00 0.00 C ATOM 109 O VAL A 8 5.768 -7.704 -0.036 1.00 0.00 O ATOM 110 CB VAL A 8 3.058 -6.392 0.284 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.934 -6.437 1.799 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.882 -5.647 -0.343 1.00 0.00 C ATOM 0 H VAL A 8 3.634 -5.888 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 8 4.435 -4.743 0.327 1.00 0.00 H new ATOM 0 HB VAL A 8 3.045 -7.418 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.989 -6.906 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.760 -7.014 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.964 -5.423 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.948 -6.124 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.885 -4.611 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.972 -5.673 -1.429 1.00 0.00 H new ATOM 122 N LYS A 9 6.325 -5.960 1.271 1.00 0.00 N ATOM 123 CA LYS A 9 7.481 -6.581 1.893 1.00 0.00 C ATOM 124 C LYS A 9 7.152 -6.851 3.352 1.00 0.00 C ATOM 125 O LYS A 9 6.002 -6.672 3.750 1.00 0.00 O ATOM 126 CB LYS A 9 8.708 -5.673 1.781 1.00 0.00 C ATOM 127 CG LYS A 9 9.946 -6.357 1.213 1.00 0.00 C ATOM 128 CD LYS A 9 9.982 -6.321 -0.312 1.00 0.00 C ATOM 129 CE LYS A 9 8.989 -7.282 -0.953 1.00 0.00 C ATOM 130 NZ LYS A 9 9.111 -7.284 -2.436 1.00 0.00 N ATOM 0 H LYS A 9 6.161 -5.003 1.583 1.00 0.00 H new ATOM 0 HA LYS A 9 7.715 -7.516 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.457 -4.820 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.946 -5.280 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.839 -5.871 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.972 -7.393 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.769 -5.307 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.988 -6.566 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.158 -8.289 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.975 -7.000 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.800 -8.204 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.516 -6.530 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.103 -7.120 -2.703 1.00 0.00 H new ATOM 144 N SER A 10 8.132 -7.336 4.121 1.00 0.00 N ATOM 145 CA SER A 10 7.939 -7.584 5.551 1.00 0.00 C ATOM 146 C SER A 10 7.146 -6.437 6.182 1.00 0.00 C ATOM 147 O SER A 10 7.607 -5.292 6.248 1.00 0.00 O ATOM 148 CB SER A 10 9.292 -7.744 6.251 1.00 0.00 C ATOM 149 OG SER A 10 9.129 -8.084 7.619 1.00 0.00 O ATOM 0 H SER A 10 9.065 -7.564 3.777 1.00 0.00 H new ATOM 0 HA SER A 10 7.375 -8.509 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.874 -8.517 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.858 -6.816 6.170 1.00 0.00 H new ATOM 0 HG SER A 10 10.009 -8.181 8.039 1.00 0.00 H new ATOM 155 N GLY A 11 5.951 -6.773 6.640 1.00 0.00 N ATOM 156 CA GLY A 11 4.951 -5.779 6.970 1.00 0.00 C ATOM 157 C GLY A 11 3.677 -6.060 6.196 1.00 0.00 C ATOM 158 O GLY A 11 2.918 -5.159 5.877 1.00 0.00 O ATOM 0 H GLY A 11 5.651 -7.736 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.748 -5.794 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.322 -4.782 6.730 1.00 0.00 H new ATOM 162 N ASP A 12 3.453 -7.350 5.950 1.00 0.00 N ATOM 163 CA ASP A 12 2.399 -7.878 5.061 1.00 0.00 C ATOM 164 C ASP A 12 0.986 -7.378 5.351 1.00 0.00 C ATOM 165 O ASP A 12 0.054 -7.757 4.656 1.00 0.00 O ATOM 166 CB ASP A 12 2.363 -9.396 5.121 1.00 0.00 C ATOM 167 CG ASP A 12 1.822 -9.899 6.449 1.00 0.00 C ATOM 168 OD1 ASP A 12 2.547 -9.811 7.465 1.00 0.00 O ATOM 169 OD2 ASP A 12 0.669 -10.374 6.490 1.00 0.00 O ATOM 0 H ASP A 12 4.015 -8.088 6.375 1.00 0.00 H new ATOM 0 HA ASP A 12 2.678 -7.506 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.743 -9.777 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.368 -9.789 4.966 1.00 0.00 H new ATOM 174 N THR A 13 0.794 -6.592 6.378 1.00 0.00 N ATOM 175 CA THR A 13 -0.547 -6.222 6.765 1.00 0.00 C ATOM 176 C THR A 13 -0.737 -4.736 6.522 1.00 0.00 C ATOM 177 O THR A 13 0.186 -3.950 6.728 1.00 0.00 O ATOM 178 CB THR A 13 -0.800 -6.570 8.242 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.303 -7.892 8.513 1.00 0.00 O ATOM 180 CG2 THR A 13 -2.281 -6.509 8.582 1.00 0.00 C ATOM 0 H THR A 13 1.536 -6.199 6.956 1.00 0.00 H new ATOM 0 HA THR A 13 -1.266 -6.781 6.166 1.00 0.00 H new ATOM 0 HB THR A 13 -0.279 -5.837 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.253 -8.401 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.424 -6.760 9.633 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.656 -5.503 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.826 -7.220 7.962 1.00 0.00 H new ATOM 188 N LEU A 14 -1.937 -4.363 6.099 1.00 0.00 N ATOM 189 CA LEU A 14 -2.193 -3.035 5.559 1.00 0.00 C ATOM 190 C LEU A 14 -1.807 -1.937 6.537 1.00 0.00 C ATOM 191 O LEU A 14 -1.118 -0.989 6.172 1.00 0.00 O ATOM 192 CB LEU A 14 -3.665 -2.912 5.178 1.00 0.00 C ATOM 193 CG LEU A 14 -4.083 -1.562 4.596 1.00 0.00 C ATOM 194 CD1 LEU A 14 -3.275 -1.242 3.350 1.00 0.00 C ATOM 195 CD2 LEU A 14 -5.568 -1.568 4.279 1.00 0.00 C ATOM 0 H LEU A 14 -2.757 -4.969 6.120 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.572 -2.909 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.901 -3.690 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.269 -3.109 6.063 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.886 -0.788 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.588 -0.277 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.216 -1.204 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.441 -2.015 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.856 -0.602 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.782 -2.352 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.134 -1.755 5.192 1.00 0.00 H new ATOM 207 N ASN A 15 -2.223 -2.083 7.783 1.00 0.00 N ATOM 208 CA ASN A 15 -1.911 -1.091 8.803 1.00 0.00 C ATOM 209 C ASN A 15 -0.408 -1.037 9.089 1.00 0.00 C ATOM 210 O ASN A 15 0.134 0.026 9.404 1.00 0.00 O ATOM 211 CB ASN A 15 -2.711 -1.363 10.088 1.00 0.00 C ATOM 212 CG ASN A 15 -2.688 -2.822 10.525 1.00 0.00 C ATOM 213 OD1 ASN A 15 -1.696 -3.532 10.355 1.00 0.00 O ATOM 214 ND2 ASN A 15 -3.800 -3.284 11.070 1.00 0.00 N ATOM 0 H ASN A 15 -2.775 -2.874 8.114 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.205 -0.114 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.311 -0.745 10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.745 -1.055 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.856 -4.259 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.602 -2.666 11.195 1.00 0.00 H new ATOM 221 N LYS A 16 0.266 -2.175 8.943 1.00 0.00 N ATOM 222 CA LYS A 16 1.693 -2.261 9.226 1.00 0.00 C ATOM 223 C LYS A 16 2.513 -1.529 8.167 1.00 0.00 C ATOM 224 O LYS A 16 3.385 -0.726 8.498 1.00 0.00 O ATOM 225 CB LYS A 16 2.123 -3.732 9.319 1.00 0.00 C ATOM 226 CG LYS A 16 1.771 -4.385 10.650 1.00 0.00 C ATOM 227 CD LYS A 16 1.525 -5.884 10.509 1.00 0.00 C ATOM 228 CE LYS A 16 2.668 -6.600 9.807 1.00 0.00 C ATOM 229 NZ LYS A 16 2.356 -8.038 9.569 1.00 0.00 N ATOM 0 H LYS A 16 -0.155 -3.050 8.630 1.00 0.00 H new ATOM 0 HA LYS A 16 1.880 -1.775 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.650 -4.292 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.200 -3.798 9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.580 -4.217 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.881 -3.910 11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.381 -6.319 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.602 -6.046 9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.874 -6.110 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.573 -6.519 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.949 -8.398 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.548 -8.583 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.353 -8.138 9.313 1.00 0.00 H new ATOM 243 N ILE A 17 2.208 -1.775 6.898 1.00 0.00 N ATOM 244 CA ILE A 17 2.931 -1.128 5.809 1.00 0.00 C ATOM 245 C ILE A 17 2.534 0.334 5.666 1.00 0.00 C ATOM 246 O ILE A 17 3.378 1.188 5.398 1.00 0.00 O ATOM 247 CB ILE A 17 2.742 -1.844 4.454 1.00 0.00 C ATOM 248 CG1 ILE A 17 1.340 -2.446 4.328 1.00 0.00 C ATOM 249 CG2 ILE A 17 3.817 -2.898 4.244 1.00 0.00 C ATOM 250 CD1 ILE A 17 1.080 -3.096 2.987 1.00 0.00 C ATOM 0 H ILE A 17 1.471 -2.413 6.599 1.00 0.00 H new ATOM 0 HA ILE A 17 3.985 -1.192 6.079 1.00 0.00 H new ATOM 0 HB ILE A 17 2.845 -1.097 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.199 -3.187 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.601 -1.662 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.663 -3.389 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.799 -2.424 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.762 -3.638 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.068 -3.501 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.188 -2.354 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.796 -3.902 2.829 1.00 0.00 H new ATOM 262 N ALA A 18 1.255 0.622 5.862 1.00 0.00 N ATOM 263 CA ALA A 18 0.760 1.987 5.745 1.00 0.00 C ATOM 264 C ALA A 18 1.504 2.916 6.692 1.00 0.00 C ATOM 265 O ALA A 18 2.018 3.959 6.285 1.00 0.00 O ATOM 266 CB ALA A 18 -0.724 2.032 6.048 1.00 0.00 C ATOM 0 H ALA A 18 0.543 -0.068 6.102 1.00 0.00 H new ATOM 0 HA ALA A 18 0.930 2.323 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.083 3.057 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.259 1.397 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.899 1.675 7.063 1.00 0.00 H new ATOM 272 N ALA A 19 1.591 2.513 7.950 1.00 0.00 N ATOM 273 CA ALA A 19 2.299 3.296 8.946 1.00 0.00 C ATOM 274 C ALA A 19 3.805 3.195 8.738 1.00 0.00 C ATOM 275 O ALA A 19 4.564 4.068 9.164 1.00 0.00 O ATOM 276 CB ALA A 19 1.915 2.845 10.345 1.00 0.00 C ATOM 0 H ALA A 19 1.180 1.649 8.304 1.00 0.00 H new ATOM 0 HA ALA A 19 2.012 4.341 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.454 3.442 11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.842 2.976 10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.172 1.793 10.472 1.00 0.00 H new ATOM 282 N GLN A 20 4.228 2.129 8.069 1.00 0.00 N ATOM 283 CA GLN A 20 5.645 1.883 7.839 1.00 0.00 C ATOM 284 C GLN A 20 6.248 2.931 6.899 1.00 0.00 C ATOM 285 O GLN A 20 7.299 3.499 7.201 1.00 0.00 O ATOM 286 CB GLN A 20 5.850 0.481 7.260 1.00 0.00 C ATOM 287 CG GLN A 20 7.278 -0.024 7.355 1.00 0.00 C ATOM 288 CD GLN A 20 7.451 -1.387 6.715 1.00 0.00 C ATOM 289 OE1 GLN A 20 7.771 -1.490 5.534 1.00 0.00 O ATOM 290 NE2 GLN A 20 7.232 -2.442 7.485 1.00 0.00 N ATOM 0 H GLN A 20 3.608 1.421 7.676 1.00 0.00 H new ATOM 0 HA GLN A 20 6.157 1.955 8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.194 -0.216 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.545 0.483 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.946 0.689 6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.573 -0.077 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.968 -2.314 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.328 -3.382 7.101 1.00 0.00 H new ATOM 299 N TYR A 21 5.587 3.209 5.775 1.00 0.00 N ATOM 300 CA TYR A 21 6.116 4.198 4.834 1.00 0.00 C ATOM 301 C TYR A 21 5.320 5.503 4.835 1.00 0.00 C ATOM 302 O TYR A 21 5.498 6.342 3.952 1.00 0.00 O ATOM 303 CB TYR A 21 6.266 3.638 3.408 1.00 0.00 C ATOM 304 CG TYR A 21 5.193 2.680 2.949 1.00 0.00 C ATOM 305 CD1 TYR A 21 3.983 3.142 2.457 1.00 0.00 C ATOM 306 CD2 TYR A 21 5.412 1.310 2.974 1.00 0.00 C ATOM 307 CE1 TYR A 21 3.019 2.264 2.006 1.00 0.00 C ATOM 308 CE2 TYR A 21 4.451 0.427 2.528 1.00 0.00 C ATOM 309 CZ TYR A 21 3.257 0.910 2.044 1.00 0.00 C ATOM 310 OH TYR A 21 2.297 0.036 1.596 1.00 0.00 O ATOM 0 H TYR A 21 4.706 2.776 5.498 1.00 0.00 H new ATOM 0 HA TYR A 21 7.117 4.435 5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.296 4.477 2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.229 3.132 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.792 4.204 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.350 0.929 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.081 2.639 1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.635 -0.637 2.558 1.00 0.00 H new ATOM 0 HH TYR A 21 2.697 -0.849 1.463 1.00 0.00 H new ATOM 320 N GLY A 22 4.465 5.685 5.833 1.00 0.00 N ATOM 321 CA GLY A 22 3.864 6.994 6.067 1.00 0.00 C ATOM 322 C GLY A 22 2.715 7.339 5.135 1.00 0.00 C ATOM 323 O GLY A 22 2.698 8.417 4.531 1.00 0.00 O ATOM 0 H GLY A 22 4.175 4.956 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.505 7.036 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.636 7.757 5.968 1.00 0.00 H new ATOM 327 N VAL A 23 1.768 6.433 4.998 1.00 0.00 N ATOM 328 CA VAL A 23 0.556 6.708 4.241 1.00 0.00 C ATOM 329 C VAL A 23 -0.657 6.248 5.035 1.00 0.00 C ATOM 330 O VAL A 23 -0.598 5.250 5.751 1.00 0.00 O ATOM 331 CB VAL A 23 0.574 6.028 2.850 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.836 4.542 2.986 1.00 0.00 C ATOM 333 CG2 VAL A 23 -0.723 6.266 2.095 1.00 0.00 C ATOM 0 H VAL A 23 1.811 5.497 5.401 1.00 0.00 H new ATOM 0 HA VAL A 23 0.502 7.784 4.075 1.00 0.00 H new ATOM 0 HB VAL A 23 1.384 6.478 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.845 4.082 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.801 4.385 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.051 4.088 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.674 5.774 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.557 5.858 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.870 7.337 1.953 1.00 0.00 H new ATOM 343 N SER A 24 -1.740 6.992 4.934 1.00 0.00 N ATOM 344 CA SER A 24 -2.960 6.644 5.626 1.00 0.00 C ATOM 345 C SER A 24 -3.595 5.402 5.000 1.00 0.00 C ATOM 346 O SER A 24 -3.484 5.157 3.788 1.00 0.00 O ATOM 347 CB SER A 24 -3.935 7.827 5.599 1.00 0.00 C ATOM 348 OG SER A 24 -5.143 7.523 6.275 1.00 0.00 O ATOM 0 H SER A 24 -1.798 7.844 4.377 1.00 0.00 H new ATOM 0 HA SER A 24 -2.723 6.415 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.467 8.696 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.153 8.096 4.565 1.00 0.00 H new ATOM 0 HG SER A 24 -5.741 8.298 6.241 1.00 0.00 H new ATOM 354 N VAL A 25 -4.245 4.610 5.837 1.00 0.00 N ATOM 355 CA VAL A 25 -4.975 3.445 5.375 1.00 0.00 C ATOM 356 C VAL A 25 -6.034 3.861 4.357 1.00 0.00 C ATOM 357 O VAL A 25 -6.298 3.145 3.398 1.00 0.00 O ATOM 358 CB VAL A 25 -5.644 2.709 6.559 1.00 0.00 C ATOM 359 CG1 VAL A 25 -6.293 1.414 6.099 1.00 0.00 C ATOM 360 CG2 VAL A 25 -4.628 2.435 7.660 1.00 0.00 C ATOM 0 H VAL A 25 -4.281 4.756 6.846 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.268 2.764 4.901 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.425 3.355 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.756 0.916 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.054 1.634 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.535 0.761 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.116 1.917 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.824 1.814 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.216 3.379 8.018 1.00 0.00 H new ATOM 370 N ALA A 26 -6.590 5.053 4.539 1.00 0.00 N ATOM 371 CA ALA A 26 -7.690 5.515 3.704 1.00 0.00 C ATOM 372 C ALA A 26 -7.258 5.786 2.262 1.00 0.00 C ATOM 373 O ALA A 26 -7.899 5.306 1.326 1.00 0.00 O ATOM 374 CB ALA A 26 -8.313 6.762 4.312 1.00 0.00 C ATOM 0 H ALA A 26 -6.297 5.716 5.257 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.429 4.715 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.135 7.102 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.690 6.531 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.561 7.548 4.382 1.00 0.00 H new ATOM 380 N ASN A 27 -6.165 6.522 2.068 1.00 0.00 N ATOM 381 CA ASN A 27 -5.757 6.900 0.712 1.00 0.00 C ATOM 382 C ASN A 27 -5.121 5.750 -0.036 1.00 0.00 C ATOM 383 O ASN A 27 -5.421 5.553 -1.220 1.00 0.00 O ATOM 384 CB ASN A 27 -4.863 8.159 0.667 1.00 0.00 C ATOM 385 CG ASN A 27 -3.672 8.136 1.595 1.00 0.00 C ATOM 386 OD1 ASN A 27 -3.696 7.512 2.640 1.00 0.00 O ATOM 387 ND2 ASN A 27 -2.622 8.851 1.220 1.00 0.00 N ATOM 0 H ASN A 27 -5.557 6.863 2.812 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.682 7.161 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.505 8.295 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.475 9.028 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.794 8.892 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.641 9.360 0.336 1.00 0.00 H new ATOM 394 N LEU A 28 -4.288 4.949 0.620 1.00 0.00 N ATOM 395 CA LEU A 28 -3.653 3.870 -0.109 1.00 0.00 C ATOM 396 C LEU A 28 -4.703 2.823 -0.486 1.00 0.00 C ATOM 397 O LEU A 28 -4.606 2.184 -1.529 1.00 0.00 O ATOM 398 CB LEU A 28 -2.437 3.282 0.628 1.00 0.00 C ATOM 399 CG LEU A 28 -2.649 2.064 1.522 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.594 0.790 0.687 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.576 2.035 2.592 1.00 0.00 C ATOM 0 H LEU A 28 -4.048 5.022 1.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.234 4.273 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.691 3.018 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.006 4.073 1.242 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.628 2.127 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.746 -0.075 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.376 0.818 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.621 0.714 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.725 1.166 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.595 1.976 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.636 2.943 3.192 1.00 0.00 H new ATOM 413 N ARG A 29 -5.721 2.669 0.352 1.00 0.00 N ATOM 414 CA ARG A 29 -6.866 1.833 0.005 1.00 0.00 C ATOM 415 C ARG A 29 -7.630 2.416 -1.182 1.00 0.00 C ATOM 416 O ARG A 29 -8.136 1.675 -2.018 1.00 0.00 O ATOM 417 CB ARG A 29 -7.825 1.690 1.183 1.00 0.00 C ATOM 418 CG ARG A 29 -7.408 0.654 2.210 1.00 0.00 C ATOM 419 CD ARG A 29 -8.407 0.604 3.350 1.00 0.00 C ATOM 420 NE ARG A 29 -9.770 0.410 2.853 1.00 0.00 N ATOM 421 CZ ARG A 29 -10.844 1.040 3.334 1.00 0.00 C ATOM 422 NH1 ARG A 29 -10.728 1.885 4.351 1.00 0.00 N ATOM 423 NH2 ARG A 29 -12.034 0.841 2.780 1.00 0.00 N ATOM 0 H ARG A 29 -5.778 3.108 1.271 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.473 0.851 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.920 2.657 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.812 1.429 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.336 -0.326 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.418 0.895 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.146 -0.207 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.355 1.530 3.923 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.908 -0.251 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.814 2.056 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.553 2.363 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.128 0.207 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.855 1.322 3.148 1.00 0.00 H new ATOM 437 N SER A 30 -7.692 3.743 -1.259 1.00 0.00 N ATOM 438 CA SER A 30 -8.491 4.419 -2.278 1.00 0.00 C ATOM 439 C SER A 30 -7.978 4.142 -3.690 1.00 0.00 C ATOM 440 O SER A 30 -8.768 3.862 -4.591 1.00 0.00 O ATOM 441 CB SER A 30 -8.535 5.928 -2.017 1.00 0.00 C ATOM 442 OG SER A 30 -9.181 6.220 -0.784 1.00 0.00 O ATOM 0 H SER A 30 -7.198 4.373 -0.627 1.00 0.00 H new ATOM 0 HA SER A 30 -9.501 4.016 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.521 6.326 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.061 6.425 -2.832 1.00 0.00 H new ATOM 0 HG SER A 30 -8.655 5.852 -0.044 1.00 0.00 H new ATOM 448 N TRP A 31 -6.668 4.196 -3.895 1.00 0.00 N ATOM 449 CA TRP A 31 -6.121 3.938 -5.231 1.00 0.00 C ATOM 450 C TRP A 31 -5.834 2.454 -5.475 1.00 0.00 C ATOM 451 O TRP A 31 -5.432 2.072 -6.573 1.00 0.00 O ATOM 452 CB TRP A 31 -4.873 4.791 -5.509 1.00 0.00 C ATOM 453 CG TRP A 31 -3.917 4.863 -4.364 1.00 0.00 C ATOM 454 CD1 TRP A 31 -3.301 3.819 -3.754 1.00 0.00 C ATOM 455 CD2 TRP A 31 -3.459 6.045 -3.694 1.00 0.00 C ATOM 456 NE1 TRP A 31 -2.513 4.272 -2.733 1.00 0.00 N ATOM 457 CE2 TRP A 31 -2.587 5.628 -2.676 1.00 0.00 C ATOM 458 CE3 TRP A 31 -3.703 7.413 -3.845 1.00 0.00 C ATOM 459 CZ2 TRP A 31 -1.960 6.517 -1.813 1.00 0.00 C ATOM 460 CZ3 TRP A 31 -3.073 8.297 -2.988 1.00 0.00 C ATOM 461 CH2 TRP A 31 -2.213 7.843 -1.983 1.00 0.00 C ATOM 0 H TRP A 31 -5.976 4.410 -3.177 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.897 4.233 -5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.354 4.384 -6.377 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.187 5.801 -5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.416 2.782 -4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.957 3.685 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.370 7.772 -4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.296 6.169 -1.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.248 9.357 -3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.740 8.560 -1.328 1.00 0.00 H new ATOM 472 N ASN A 32 -6.053 1.610 -4.469 1.00 0.00 N ATOM 473 CA ASN A 32 -5.890 0.164 -4.653 1.00 0.00 C ATOM 474 C ASN A 32 -7.238 -0.546 -4.717 1.00 0.00 C ATOM 475 O ASN A 32 -7.351 -1.636 -5.279 1.00 0.00 O ATOM 476 CB ASN A 32 -5.048 -0.459 -3.534 1.00 0.00 C ATOM 477 CG ASN A 32 -3.562 -0.279 -3.741 1.00 0.00 C ATOM 478 OD1 ASN A 32 -2.927 -1.052 -4.454 1.00 0.00 O ATOM 479 ND2 ASN A 32 -2.994 0.720 -3.097 1.00 0.00 N ATOM 0 H ASN A 32 -6.339 1.893 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.370 0.031 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.333 -0.013 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.273 -1.523 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.989 0.875 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.559 1.339 -2.515 1.00 0.00 H new ATOM 486 N GLY A 33 -8.263 0.083 -4.158 1.00 0.00 N ATOM 487 CA GLY A 33 -9.576 -0.529 -4.113 1.00 0.00 C ATOM 488 C GLY A 33 -9.610 -1.722 -3.178 1.00 0.00 C ATOM 489 O GLY A 33 -10.249 -2.736 -3.468 1.00 0.00 O ATOM 0 H GLY A 33 -8.208 1.009 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.310 0.209 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.864 -0.845 -5.116 1.00 0.00 H new ATOM 493 N ILE A 34 -8.920 -1.601 -2.052 1.00 0.00 N ATOM 494 CA ILE A 34 -8.825 -2.698 -1.099 1.00 0.00 C ATOM 495 C ILE A 34 -9.695 -2.452 0.124 1.00 0.00 C ATOM 496 O ILE A 34 -9.633 -1.389 0.743 1.00 0.00 O ATOM 497 CB ILE A 34 -7.375 -2.929 -0.623 1.00 0.00 C ATOM 498 CG1 ILE A 34 -6.487 -3.362 -1.790 1.00 0.00 C ATOM 499 CG2 ILE A 34 -7.348 -3.974 0.487 1.00 0.00 C ATOM 500 CD1 ILE A 34 -5.047 -3.613 -1.394 1.00 0.00 C ATOM 0 H ILE A 34 -8.419 -0.756 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.175 -3.584 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.984 -1.991 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.898 -4.270 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.514 -2.593 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.320 -4.129 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.949 -3.628 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.755 -4.913 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.476 -3.917 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.619 -2.700 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.008 -4.404 -0.645 1.00 0.00 H new ATOM 512 N SER A 35 -10.512 -3.434 0.454 1.00 0.00 N ATOM 513 CA SER A 35 -11.261 -3.423 1.694 1.00 0.00 C ATOM 514 C SER A 35 -10.692 -4.460 2.657 1.00 0.00 C ATOM 515 O SER A 35 -10.807 -5.661 2.421 1.00 0.00 O ATOM 516 CB SER A 35 -12.728 -3.717 1.410 1.00 0.00 C ATOM 517 OG SER A 35 -13.269 -2.768 0.505 1.00 0.00 O ATOM 0 H SER A 35 -10.674 -4.257 -0.127 1.00 0.00 H new ATOM 0 HA SER A 35 -11.179 -2.438 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.828 -4.720 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.293 -3.700 2.342 1.00 0.00 H new ATOM 0 HG SER A 35 -14.211 -2.977 0.336 1.00 0.00 H new ATOM 523 N GLY A 36 -10.065 -3.996 3.727 1.00 0.00 N ATOM 524 CA GLY A 36 -9.527 -4.906 4.720 1.00 0.00 C ATOM 525 C GLY A 36 -8.022 -5.060 4.615 1.00 0.00 C ATOM 526 O GLY A 36 -7.363 -4.299 3.909 1.00 0.00 O ATOM 0 H GLY A 36 -9.918 -3.007 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.783 -4.544 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.997 -5.883 4.605 1.00 0.00 H new ATOM 530 N ASP A 37 -7.487 -6.062 5.301 1.00 0.00 N ATOM 531 CA ASP A 37 -6.044 -6.292 5.345 1.00 0.00 C ATOM 532 C ASP A 37 -5.650 -7.473 4.464 1.00 0.00 C ATOM 533 O ASP A 37 -4.742 -8.229 4.810 1.00 0.00 O ATOM 534 CB ASP A 37 -5.578 -6.572 6.781 1.00 0.00 C ATOM 535 CG ASP A 37 -5.621 -5.358 7.687 1.00 0.00 C ATOM 536 OD1 ASP A 37 -4.701 -4.521 7.611 1.00 0.00 O ATOM 537 OD2 ASP A 37 -6.560 -5.257 8.507 1.00 0.00 O ATOM 0 H ASP A 37 -8.034 -6.734 5.839 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.563 -5.387 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.203 -7.355 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.559 -6.957 6.753 1.00 0.00 H new ATOM 542 N LEU A 38 -6.319 -7.632 3.324 1.00 0.00 N ATOM 543 CA LEU A 38 -6.024 -8.748 2.419 1.00 0.00 C ATOM 544 C LEU A 38 -4.742 -8.489 1.619 1.00 0.00 C ATOM 545 O LEU A 38 -4.741 -8.381 0.392 1.00 0.00 O ATOM 546 CB LEU A 38 -7.226 -9.057 1.507 1.00 0.00 C ATOM 547 CG LEU A 38 -7.967 -7.847 0.923 1.00 0.00 C ATOM 548 CD1 LEU A 38 -7.423 -7.466 -0.444 1.00 0.00 C ATOM 549 CD2 LEU A 38 -9.456 -8.137 0.838 1.00 0.00 C ATOM 0 H LEU A 38 -7.062 -7.011 3.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.847 -9.637 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.878 -9.676 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.940 -9.654 2.074 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.805 -7.001 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.971 -6.605 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.366 -7.214 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.541 -8.305 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.972 -7.272 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.622 -9.002 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.843 -8.346 1.835 1.00 0.00 H new ATOM 561 N ILE A 39 -3.644 -8.403 2.345 1.00 0.00 N ATOM 562 CA ILE A 39 -2.354 -8.092 1.772 1.00 0.00 C ATOM 563 C ILE A 39 -1.342 -9.183 2.124 1.00 0.00 C ATOM 564 O ILE A 39 -1.436 -9.810 3.180 1.00 0.00 O ATOM 565 CB ILE A 39 -1.873 -6.705 2.264 1.00 0.00 C ATOM 566 CG1 ILE A 39 -2.670 -5.597 1.562 1.00 0.00 C ATOM 567 CG2 ILE A 39 -0.382 -6.520 2.052 1.00 0.00 C ATOM 568 CD1 ILE A 39 -2.217 -4.196 1.912 1.00 0.00 C ATOM 0 H ILE A 39 -3.625 -8.548 3.354 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.446 -8.054 0.687 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.052 -6.644 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.591 -5.734 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.724 -5.702 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.083 -5.535 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.162 -7.287 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.152 -6.605 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.829 -3.471 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.323 -4.037 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.172 -4.070 1.628 1.00 0.00 H new ATOM 580 N PHE A 40 -0.408 -9.431 1.216 1.00 0.00 N ATOM 581 CA PHE A 40 0.618 -10.442 1.410 1.00 0.00 C ATOM 582 C PHE A 40 1.885 -10.036 0.672 1.00 0.00 C ATOM 583 O PHE A 40 1.826 -9.238 -0.266 1.00 0.00 O ATOM 584 CB PHE A 40 0.132 -11.811 0.917 1.00 0.00 C ATOM 585 CG PHE A 40 -0.388 -11.808 -0.494 1.00 0.00 C ATOM 586 CD1 PHE A 40 0.470 -11.979 -1.569 1.00 0.00 C ATOM 587 CD2 PHE A 40 -1.740 -11.639 -0.743 1.00 0.00 C ATOM 588 CE1 PHE A 40 -0.011 -11.979 -2.864 1.00 0.00 C ATOM 589 CE2 PHE A 40 -2.226 -11.638 -2.034 1.00 0.00 C ATOM 590 CZ PHE A 40 -1.361 -11.808 -3.096 1.00 0.00 C ATOM 0 H PHE A 40 -0.342 -8.937 0.326 1.00 0.00 H new ATOM 0 HA PHE A 40 0.833 -10.521 2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.954 -12.523 0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.655 -12.166 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.527 -12.114 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.422 -11.506 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.668 -12.113 -3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.283 -11.504 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.740 -11.807 -4.107 1.00 0.00 H new ATOM 600 N VAL A 41 3.019 -10.584 1.091 1.00 0.00 N ATOM 601 CA VAL A 41 4.305 -10.271 0.470 1.00 0.00 C ATOM 602 C VAL A 41 4.293 -10.635 -1.014 1.00 0.00 C ATOM 603 O VAL A 41 3.958 -11.763 -1.382 1.00 0.00 O ATOM 604 CB VAL A 41 5.463 -11.011 1.180 1.00 0.00 C ATOM 605 CG1 VAL A 41 6.795 -10.743 0.493 1.00 0.00 C ATOM 606 CG2 VAL A 41 5.528 -10.605 2.644 1.00 0.00 C ATOM 0 H VAL A 41 3.077 -11.250 1.861 1.00 0.00 H new ATOM 0 HA VAL A 41 4.465 -9.198 0.571 1.00 0.00 H new ATOM 0 HB VAL A 41 5.267 -12.081 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.588 -11.277 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.747 -11.086 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.005 -9.674 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.347 -11.133 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.695 -9.530 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.589 -10.860 3.134 1.00 0.00 H new ATOM 616 N GLY A 42 4.648 -9.678 -1.866 1.00 0.00 N ATOM 617 CA GLY A 42 4.602 -9.911 -3.294 1.00 0.00 C ATOM 618 C GLY A 42 3.434 -9.214 -3.958 1.00 0.00 C ATOM 619 O GLY A 42 3.454 -8.982 -5.166 1.00 0.00 O ATOM 0 H GLY A 42 4.966 -8.748 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.532 -9.565 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.536 -10.983 -3.482 1.00 0.00 H new ATOM 623 N GLN A 43 2.415 -8.879 -3.173 1.00 0.00 N ATOM 624 CA GLN A 43 1.265 -8.155 -3.698 1.00 0.00 C ATOM 625 C GLN A 43 1.688 -6.763 -4.152 1.00 0.00 C ATOM 626 O GLN A 43 2.431 -6.070 -3.455 1.00 0.00 O ATOM 627 CB GLN A 43 0.146 -8.058 -2.649 1.00 0.00 C ATOM 628 CG GLN A 43 -1.008 -7.155 -3.073 1.00 0.00 C ATOM 629 CD GLN A 43 -2.178 -7.170 -2.105 1.00 0.00 C ATOM 630 OE1 GLN A 43 -2.881 -6.171 -1.958 1.00 0.00 O ATOM 631 NE2 GLN A 43 -2.412 -8.303 -1.457 1.00 0.00 N ATOM 0 H GLN A 43 2.363 -9.096 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 43 0.876 -8.706 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.240 -9.057 -2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.566 -7.684 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.642 -6.133 -3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.358 -7.465 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.806 -9.110 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.198 -8.367 -0.810 1.00 0.00 H new ATOM 640 N LYS A 44 1.226 -6.370 -5.325 1.00 0.00 N ATOM 641 CA LYS A 44 1.562 -5.076 -5.885 1.00 0.00 C ATOM 642 C LYS A 44 0.509 -4.051 -5.490 1.00 0.00 C ATOM 643 O LYS A 44 -0.618 -4.088 -5.987 1.00 0.00 O ATOM 644 CB LYS A 44 1.640 -5.185 -7.408 1.00 0.00 C ATOM 645 CG LYS A 44 2.276 -3.987 -8.088 1.00 0.00 C ATOM 646 CD LYS A 44 3.740 -3.853 -7.713 1.00 0.00 C ATOM 647 CE LYS A 44 4.556 -3.328 -8.880 1.00 0.00 C ATOM 648 NZ LYS A 44 4.600 -4.304 -10.004 1.00 0.00 N ATOM 0 H LYS A 44 0.612 -6.935 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 44 2.529 -4.754 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.207 -6.079 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.633 -5.320 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.183 -4.088 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.742 -3.080 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.841 -3.179 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.129 -4.822 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.128 -2.389 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.571 -3.111 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.464 -4.151 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.601 -5.272 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.766 -4.172 -10.612 1.00 0.00 H new ATOM 662 N LEU A 45 0.862 -3.146 -4.590 1.00 0.00 N ATOM 663 CA LEU A 45 -0.080 -2.136 -4.151 1.00 0.00 C ATOM 664 C LEU A 45 0.450 -0.738 -4.463 1.00 0.00 C ATOM 665 O LEU A 45 1.641 -0.467 -4.329 1.00 0.00 O ATOM 666 CB LEU A 45 -0.413 -2.320 -2.653 1.00 0.00 C ATOM 667 CG LEU A 45 0.646 -1.892 -1.631 1.00 0.00 C ATOM 668 CD1 LEU A 45 0.609 -0.388 -1.390 1.00 0.00 C ATOM 669 CD2 LEU A 45 0.414 -2.631 -0.330 1.00 0.00 C ATOM 0 H LEU A 45 1.783 -3.092 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.013 -2.255 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.327 -1.765 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.634 -3.374 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 45 1.630 -2.141 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.372 -0.118 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.801 0.135 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.373 -0.104 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.166 -2.329 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.579 -2.392 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.488 -3.705 -0.503 1.00 0.00 H new ATOM 681 N ILE A 46 -0.439 0.132 -4.913 1.00 0.00 N ATOM 682 CA ILE A 46 -0.084 1.507 -5.238 1.00 0.00 C ATOM 683 C ILE A 46 0.079 2.325 -3.958 1.00 0.00 C ATOM 684 O ILE A 46 -0.706 2.182 -3.022 1.00 0.00 O ATOM 685 CB ILE A 46 -1.164 2.204 -6.121 1.00 0.00 C ATOM 686 CG1 ILE A 46 -1.360 1.513 -7.478 1.00 0.00 C ATOM 687 CG2 ILE A 46 -0.800 3.664 -6.356 1.00 0.00 C ATOM 688 CD1 ILE A 46 -2.040 0.161 -7.411 1.00 0.00 C ATOM 0 H ILE A 46 -1.423 -0.092 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 46 0.851 1.464 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.102 2.132 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.947 2.168 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.386 1.391 -7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.565 4.135 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.737 4.182 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.163 3.722 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.134 -0.249 -8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.445 -0.516 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.031 0.273 -6.970 1.00 0.00 H new ATOM 700 N VAL A 47 1.106 3.155 -3.902 1.00 0.00 N ATOM 701 CA VAL A 47 1.195 4.171 -2.870 1.00 0.00 C ATOM 702 C VAL A 47 1.847 5.436 -3.454 1.00 0.00 C ATOM 703 O VAL A 47 2.969 5.414 -3.949 1.00 0.00 O ATOM 704 CB VAL A 47 1.946 3.667 -1.601 1.00 0.00 C ATOM 705 CG1 VAL A 47 3.420 3.395 -1.862 1.00 0.00 C ATOM 706 CG2 VAL A 47 1.764 4.647 -0.450 1.00 0.00 C ATOM 0 H VAL A 47 1.888 3.145 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 47 0.185 4.412 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 47 1.501 2.712 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.894 3.047 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.518 2.631 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.906 4.312 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.295 4.279 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.163 5.621 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.703 4.744 -0.219 1.00 0.00 H new ATOM 716 N LYS A 48 1.095 6.517 -3.499 1.00 0.00 N ATOM 717 CA LYS A 48 1.647 7.792 -3.956 1.00 0.00 C ATOM 718 C LYS A 48 1.024 8.988 -3.245 1.00 0.00 C ATOM 719 O LYS A 48 -0.174 9.219 -3.319 1.00 0.00 O ATOM 720 CB LYS A 48 1.537 7.922 -5.486 1.00 0.00 C ATOM 721 CG LYS A 48 0.155 7.631 -6.062 1.00 0.00 C ATOM 722 CD LYS A 48 -0.686 8.892 -6.203 1.00 0.00 C ATOM 723 CE LYS A 48 -2.075 8.573 -6.726 1.00 0.00 C ATOM 724 NZ LYS A 48 -2.942 9.778 -6.792 1.00 0.00 N ATOM 0 H LYS A 48 0.112 6.547 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 48 2.704 7.795 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.827 8.933 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.255 7.243 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.262 7.157 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.363 6.921 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.764 9.389 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.191 9.588 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.994 8.131 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.541 7.827 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.880 9.512 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.042 10.186 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.512 10.481 -7.427 1.00 0.00 H new ATOM 738 N LYS A 49 1.857 9.754 -2.559 1.00 0.00 N ATOM 739 CA LYS A 49 1.387 10.916 -1.815 1.00 0.00 C ATOM 740 C LYS A 49 2.008 12.191 -2.374 1.00 0.00 C ATOM 741 O LYS A 49 3.003 12.139 -3.100 1.00 0.00 O ATOM 742 CB LYS A 49 1.716 10.787 -0.319 1.00 0.00 C ATOM 743 CG LYS A 49 3.174 11.063 0.035 1.00 0.00 C ATOM 744 CD LYS A 49 4.111 9.984 -0.484 1.00 0.00 C ATOM 745 CE LYS A 49 5.564 10.324 -0.193 1.00 0.00 C ATOM 746 NZ LYS A 49 5.801 10.541 1.257 1.00 0.00 N ATOM 0 H LYS A 49 2.863 9.594 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 49 0.304 10.967 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.083 11.476 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.460 9.780 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.469 12.027 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.274 11.137 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.860 9.029 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.972 9.865 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.204 9.517 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.845 11.221 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.824 10.585 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.358 11.435 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.387 9.755 1.798 1.00 0.00 H new ATOM 760 N GLY A 50 1.427 13.331 -2.025 1.00 0.00 N ATOM 761 CA GLY A 50 1.930 14.598 -2.513 1.00 0.00 C ATOM 762 C GLY A 50 0.813 15.511 -2.968 1.00 0.00 C ATOM 763 O GLY A 50 0.863 16.724 -2.756 1.00 0.00 O ATOM 0 H GLY A 50 0.615 13.400 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.502 15.089 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.615 14.421 -3.342 1.00 0.00 H new ATOM 767 N SER A 51 -0.192 14.929 -3.606 1.00 0.00 N ATOM 768 CA SER A 51 -1.344 15.683 -4.074 1.00 0.00 C ATOM 769 C SER A 51 -2.570 14.775 -4.159 1.00 0.00 C ATOM 770 O SER A 51 -3.397 14.793 -3.226 1.00 0.00 O ATOM 771 CB SER A 51 -1.054 16.305 -5.441 1.00 0.00 C ATOM 772 OG SER A 51 0.136 17.078 -5.416 1.00 0.00 O ATOM 0 H SER A 51 -0.232 13.931 -3.812 1.00 0.00 H new ATOM 0 HA SER A 51 -1.547 16.483 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.962 15.517 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.892 16.934 -5.741 1.00 0.00 H new ATOM 0 HG SER A 51 0.296 17.461 -6.304 1.00 0.00 H new TER 778 SER A 51