USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=15 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 7 THR OG1 : rot 180:sc= 0.0354 USER MOD Set 1.2: A 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0276) USER MOD Set 2.1: A 1 GLY N :NH3+ 155:sc= 2.14 (180deg=0) USER MOD Set 2.2: A 3 ASN : amide:sc= 0.842 K(o=3.9,f=-6.1!) USER MOD Set 2.3: A 51 SER OG : rot 180:sc= 0.96 USER MOD Single : A 2 THR OG1 : rot 55:sc= 0.0206 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= 0.346 USER MOD Single : A 10 SER OG : rot 180:sc=0.000483 USER MOD Single : A 13 THR OG1 : rot -18:sc= 0.289 USER MOD Single : A 15 ASN : amide:sc= -0.365 K(o=-0.36,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 27 ASN : amide:sc= -5.4! C(o=-5.4!,f=-13!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.22 K(o=1.2,f=-8.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.92! K(o=-2.9!,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0549) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.369 10.000 -10.225 1.00 0.00 N ATOM 2 CA GLY A 1 -1.393 10.495 -11.224 1.00 0.00 C ATOM 3 C GLY A 1 -0.243 9.533 -11.387 1.00 0.00 C ATOM 4 O GLY A 1 -0.454 8.324 -11.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.890 10.804 -9.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.038 9.350 -10.686 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.865 9.498 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.891 10.636 -12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.014 11.469 -10.915 1.00 0.00 H new ATOM 8 N THR A 2 0.976 10.056 -11.387 1.00 0.00 N ATOM 9 CA THR A 2 2.157 9.212 -11.416 1.00 0.00 C ATOM 10 C THR A 2 2.457 8.691 -10.014 1.00 0.00 C ATOM 11 O THR A 2 3.380 9.150 -9.335 1.00 0.00 O ATOM 12 CB THR A 2 3.383 9.955 -11.990 1.00 0.00 C ATOM 13 OG1 THR A 2 3.475 11.276 -11.434 1.00 0.00 O ATOM 14 CG2 THR A 2 3.297 10.045 -13.507 1.00 0.00 C ATOM 0 H THR A 2 1.170 11.057 -11.367 1.00 0.00 H new ATOM 0 HA THR A 2 1.950 8.371 -12.078 1.00 0.00 H new ATOM 0 HB THR A 2 4.275 9.390 -11.720 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.487 11.219 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.171 10.572 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.265 9.041 -13.930 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.394 10.587 -13.789 1.00 0.00 H new ATOM 22 N ASN A 3 1.631 7.751 -9.579 1.00 0.00 N ATOM 23 CA ASN A 3 1.721 7.197 -8.239 1.00 0.00 C ATOM 24 C ASN A 3 2.749 6.077 -8.205 1.00 0.00 C ATOM 25 O ASN A 3 3.129 5.543 -9.247 1.00 0.00 O ATOM 26 CB ASN A 3 0.354 6.667 -7.784 1.00 0.00 C ATOM 27 CG ASN A 3 -0.699 7.758 -7.628 1.00 0.00 C ATOM 28 OD1 ASN A 3 -0.672 8.780 -8.315 1.00 0.00 O ATOM 29 ND2 ASN A 3 -1.648 7.541 -6.730 1.00 0.00 N ATOM 0 H ASN A 3 0.882 7.352 -10.145 1.00 0.00 H new ATOM 0 HA ASN A 3 2.033 7.988 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.000 5.931 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.472 6.148 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.386 8.231 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.641 6.684 -6.177 1.00 0.00 H new ATOM 36 N THR A 4 3.194 5.717 -7.015 1.00 0.00 N ATOM 37 CA THR A 4 4.164 4.663 -6.861 1.00 0.00 C ATOM 38 C THR A 4 3.426 3.395 -6.469 1.00 0.00 C ATOM 39 O THR A 4 2.311 3.467 -5.966 1.00 0.00 O ATOM 40 CB THR A 4 5.199 5.043 -5.779 1.00 0.00 C ATOM 41 OG1 THR A 4 5.791 6.308 -6.107 1.00 0.00 O ATOM 42 CG2 THR A 4 6.292 3.992 -5.639 1.00 0.00 C ATOM 0 H THR A 4 2.893 6.146 -6.140 1.00 0.00 H new ATOM 0 HA THR A 4 4.701 4.506 -7.796 1.00 0.00 H new ATOM 0 HB THR A 4 4.675 5.105 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.446 6.550 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.997 4.301 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.845 3.037 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.817 3.884 -6.588 1.00 0.00 H new ATOM 50 N TYR A 5 3.997 2.246 -6.741 1.00 0.00 N ATOM 51 CA TYR A 5 3.421 1.009 -6.264 1.00 0.00 C ATOM 52 C TYR A 5 4.488 0.173 -5.581 1.00 0.00 C ATOM 53 O TYR A 5 5.631 0.107 -6.033 1.00 0.00 O ATOM 54 CB TYR A 5 2.732 0.234 -7.396 1.00 0.00 C ATOM 55 CG TYR A 5 3.334 0.455 -8.766 1.00 0.00 C ATOM 56 CD1 TYR A 5 4.453 -0.250 -9.190 1.00 0.00 C ATOM 57 CD2 TYR A 5 2.764 1.370 -9.640 1.00 0.00 C ATOM 58 CE1 TYR A 5 4.987 -0.046 -10.449 1.00 0.00 C ATOM 59 CE2 TYR A 5 3.290 1.581 -10.896 1.00 0.00 C ATOM 60 CZ TYR A 5 4.401 0.870 -11.300 1.00 0.00 C ATOM 61 OH TYR A 5 4.930 1.074 -12.556 1.00 0.00 O ATOM 0 H TYR A 5 4.853 2.140 -7.285 1.00 0.00 H new ATOM 0 HA TYR A 5 2.648 1.246 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.769 -0.831 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.680 0.518 -7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.913 -0.968 -8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.892 1.927 -9.330 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.858 -0.600 -10.765 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.835 2.300 -11.561 1.00 0.00 H new ATOM 0 HH TYR A 5 4.400 1.750 -13.028 1.00 0.00 H new ATOM 71 N TYR A 6 4.109 -0.439 -4.482 1.00 0.00 N ATOM 72 CA TYR A 6 5.044 -1.148 -3.631 1.00 0.00 C ATOM 73 C TYR A 6 4.611 -2.597 -3.462 1.00 0.00 C ATOM 74 O TYR A 6 3.426 -2.882 -3.321 1.00 0.00 O ATOM 75 CB TYR A 6 5.114 -0.410 -2.284 1.00 0.00 C ATOM 76 CG TYR A 6 5.565 -1.234 -1.096 1.00 0.00 C ATOM 77 CD1 TYR A 6 6.902 -1.552 -0.900 1.00 0.00 C ATOM 78 CD2 TYR A 6 4.640 -1.677 -0.159 1.00 0.00 C ATOM 79 CE1 TYR A 6 7.301 -2.292 0.197 1.00 0.00 C ATOM 80 CE2 TYR A 6 5.027 -2.412 0.939 1.00 0.00 C ATOM 81 CZ TYR A 6 6.359 -2.720 1.113 1.00 0.00 C ATOM 82 OH TYR A 6 6.754 -3.455 2.206 1.00 0.00 O ATOM 0 H TYR A 6 3.144 -0.461 -4.151 1.00 0.00 H new ATOM 0 HA TYR A 6 6.037 -1.167 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.792 0.437 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.127 -0.003 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.640 -1.217 -1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.595 -1.440 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.344 -2.535 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.293 -2.744 1.658 1.00 0.00 H new ATOM 0 HH TYR A 6 6.657 -2.913 3.017 1.00 0.00 H new ATOM 92 N THR A 7 5.560 -3.515 -3.529 1.00 0.00 N ATOM 93 CA THR A 7 5.270 -4.902 -3.225 1.00 0.00 C ATOM 94 C THR A 7 5.341 -5.132 -1.733 1.00 0.00 C ATOM 95 O THR A 7 6.383 -4.923 -1.117 1.00 0.00 O ATOM 96 CB THR A 7 6.212 -5.890 -3.938 1.00 0.00 C ATOM 97 OG1 THR A 7 7.507 -5.310 -4.161 1.00 0.00 O ATOM 98 CG2 THR A 7 5.604 -6.353 -5.248 1.00 0.00 C ATOM 0 H THR A 7 6.528 -3.326 -3.789 1.00 0.00 H new ATOM 0 HA THR A 7 4.262 -5.094 -3.594 1.00 0.00 H new ATOM 0 HB THR A 7 6.342 -6.755 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.083 -5.961 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.283 -7.050 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.653 -6.849 -5.053 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.438 -5.493 -5.896 1.00 0.00 H new ATOM 106 N VAL A 8 4.227 -5.559 -1.166 1.00 0.00 N ATOM 107 CA VAL A 8 4.121 -5.758 0.269 1.00 0.00 C ATOM 108 C VAL A 8 5.195 -6.729 0.753 1.00 0.00 C ATOM 109 O VAL A 8 5.308 -7.847 0.254 1.00 0.00 O ATOM 110 CB VAL A 8 2.731 -6.292 0.658 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.633 -6.461 2.166 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.629 -5.368 0.139 1.00 0.00 C ATOM 0 H VAL A 8 3.375 -5.777 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 8 4.266 -4.789 0.748 1.00 0.00 H new ATOM 0 HB VAL A 8 2.594 -7.269 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.644 -6.839 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.392 -7.167 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.792 -5.498 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.656 -5.766 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.756 -4.374 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.689 -5.305 -0.947 1.00 0.00 H new ATOM 122 N LYS A 9 5.998 -6.269 1.696 1.00 0.00 N ATOM 123 CA LYS A 9 7.095 -7.050 2.252 1.00 0.00 C ATOM 124 C LYS A 9 6.850 -7.294 3.729 1.00 0.00 C ATOM 125 O LYS A 9 5.777 -6.951 4.222 1.00 0.00 O ATOM 126 CB LYS A 9 8.432 -6.344 2.022 1.00 0.00 C ATOM 127 CG LYS A 9 8.758 -6.166 0.550 1.00 0.00 C ATOM 128 CD LYS A 9 8.763 -7.502 -0.178 1.00 0.00 C ATOM 129 CE LYS A 9 8.674 -7.321 -1.683 1.00 0.00 C ATOM 130 NZ LYS A 9 9.804 -6.519 -2.222 1.00 0.00 N ATOM 0 H LYS A 9 5.909 -5.337 2.102 1.00 0.00 H new ATOM 0 HA LYS A 9 7.141 -8.013 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.410 -5.367 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.227 -6.917 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.026 -5.501 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.732 -5.688 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.673 -8.048 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.924 -8.107 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.663 -8.299 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.732 -6.832 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.747 -6.493 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.751 -5.550 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.705 -6.952 -1.935 1.00 0.00 H new ATOM 144 N SER A 10 7.813 -7.932 4.408 1.00 0.00 N ATOM 145 CA SER A 10 7.687 -8.246 5.832 1.00 0.00 C ATOM 146 C SER A 10 7.061 -7.072 6.581 1.00 0.00 C ATOM 147 O SER A 10 7.644 -5.989 6.690 1.00 0.00 O ATOM 148 CB SER A 10 9.061 -8.583 6.412 1.00 0.00 C ATOM 149 OG SER A 10 9.678 -9.629 5.672 1.00 0.00 O ATOM 0 H SER A 10 8.690 -8.241 3.989 1.00 0.00 H new ATOM 0 HA SER A 10 7.035 -9.112 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.695 -7.697 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.957 -8.881 7.455 1.00 0.00 H new ATOM 0 HG SER A 10 10.556 -9.828 6.058 1.00 0.00 H new ATOM 155 N GLY A 11 5.862 -7.311 7.080 1.00 0.00 N ATOM 156 CA GLY A 11 4.986 -6.239 7.491 1.00 0.00 C ATOM 157 C GLY A 11 3.716 -6.290 6.669 1.00 0.00 C ATOM 158 O GLY A 11 3.147 -5.266 6.312 1.00 0.00 O ATOM 0 H GLY A 11 5.474 -8.246 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.751 -6.332 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.481 -5.277 7.357 1.00 0.00 H new ATOM 162 N ASP A 12 3.285 -7.524 6.410 1.00 0.00 N ATOM 163 CA ASP A 12 2.175 -7.873 5.502 1.00 0.00 C ATOM 164 C ASP A 12 0.855 -7.160 5.792 1.00 0.00 C ATOM 165 O ASP A 12 -0.130 -7.398 5.108 1.00 0.00 O ATOM 166 CB ASP A 12 1.916 -9.378 5.535 1.00 0.00 C ATOM 167 CG ASP A 12 1.486 -9.862 6.908 1.00 0.00 C ATOM 168 OD1 ASP A 12 0.280 -9.813 7.217 1.00 0.00 O ATOM 169 OD2 ASP A 12 2.361 -10.291 7.689 1.00 0.00 O ATOM 0 H ASP A 12 3.711 -8.345 6.840 1.00 0.00 H new ATOM 0 HA ASP A 12 2.509 -7.538 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.144 -9.627 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.821 -9.906 5.234 1.00 0.00 H new ATOM 174 N THR A 13 0.795 -6.346 6.816 1.00 0.00 N ATOM 175 CA THR A 13 -0.479 -5.835 7.265 1.00 0.00 C ATOM 176 C THR A 13 -0.543 -4.330 7.046 1.00 0.00 C ATOM 177 O THR A 13 0.484 -3.651 7.047 1.00 0.00 O ATOM 178 CB THR A 13 -0.710 -6.184 8.750 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.372 -7.566 8.971 1.00 0.00 O ATOM 180 CG2 THR A 13 -2.160 -5.951 9.156 1.00 0.00 C ATOM 0 H THR A 13 1.602 -6.025 7.350 1.00 0.00 H new ATOM 0 HA THR A 13 -1.272 -6.304 6.682 1.00 0.00 H new ATOM 0 HB THR A 13 -0.077 -5.536 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.361 -8.041 8.114 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.289 -6.206 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.417 -4.903 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.813 -6.577 8.548 1.00 0.00 H new ATOM 188 N LEU A 14 -1.759 -3.821 6.867 1.00 0.00 N ATOM 189 CA LEU A 14 -1.979 -2.435 6.471 1.00 0.00 C ATOM 190 C LEU A 14 -1.263 -1.463 7.387 1.00 0.00 C ATOM 191 O LEU A 14 -0.589 -0.551 6.922 1.00 0.00 O ATOM 192 CB LEU A 14 -3.466 -2.123 6.507 1.00 0.00 C ATOM 193 CG LEU A 14 -4.299 -2.769 5.408 1.00 0.00 C ATOM 194 CD1 LEU A 14 -5.771 -2.729 5.771 1.00 0.00 C ATOM 195 CD2 LEU A 14 -4.064 -2.061 4.085 1.00 0.00 C ATOM 0 H LEU A 14 -2.617 -4.357 6.992 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.581 -2.319 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.862 -2.439 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.594 -1.042 6.448 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.994 -3.810 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.354 -3.194 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.931 -3.271 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.087 -1.693 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.665 -2.533 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.348 -1.013 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.009 -2.129 3.818 1.00 0.00 H new ATOM 207 N ASN A 15 -1.395 -1.678 8.683 1.00 0.00 N ATOM 208 CA ASN A 15 -0.787 -0.792 9.660 1.00 0.00 C ATOM 209 C ASN A 15 0.732 -0.791 9.522 1.00 0.00 C ATOM 210 O ASN A 15 1.371 0.247 9.673 1.00 0.00 O ATOM 211 CB ASN A 15 -1.188 -1.190 11.090 1.00 0.00 C ATOM 212 CG ASN A 15 -0.715 -2.580 11.492 1.00 0.00 C ATOM 213 OD1 ASN A 15 -0.624 -3.489 10.663 1.00 0.00 O ATOM 214 ND2 ASN A 15 -0.405 -2.753 12.766 1.00 0.00 N ATOM 0 H ASN A 15 -1.917 -2.457 9.084 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.154 0.216 9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.780 -0.460 11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.273 -1.145 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.078 -3.662 13.092 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.493 -1.977 13.422 1.00 0.00 H new ATOM 221 N LYS A 16 1.307 -1.948 9.216 1.00 0.00 N ATOM 222 CA LYS A 16 2.755 -2.073 9.183 1.00 0.00 C ATOM 223 C LYS A 16 3.350 -1.397 7.959 1.00 0.00 C ATOM 224 O LYS A 16 4.271 -0.590 8.077 1.00 0.00 O ATOM 225 CB LYS A 16 3.163 -3.545 9.227 1.00 0.00 C ATOM 226 CG LYS A 16 2.918 -4.201 10.574 1.00 0.00 C ATOM 227 CD LYS A 16 3.751 -3.544 11.662 1.00 0.00 C ATOM 228 CE LYS A 16 3.574 -4.235 13.001 1.00 0.00 C ATOM 229 NZ LYS A 16 4.363 -3.572 14.071 1.00 0.00 N ATOM 0 H LYS A 16 0.798 -2.803 8.990 1.00 0.00 H new ATOM 0 HA LYS A 16 3.150 -1.567 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.612 -4.090 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.221 -3.628 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.861 -4.131 10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.162 -5.262 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.803 -3.566 11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.468 -2.495 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.519 -4.235 13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.881 -5.277 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.217 -4.072 14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.373 -3.595 13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.053 -2.584 14.170 1.00 0.00 H new ATOM 243 N ILE A 17 2.791 -1.686 6.792 1.00 0.00 N ATOM 244 CA ILE A 17 3.337 -1.152 5.552 1.00 0.00 C ATOM 245 C ILE A 17 3.015 0.327 5.384 1.00 0.00 C ATOM 246 O ILE A 17 3.884 1.122 5.024 1.00 0.00 O ATOM 247 CB ILE A 17 2.879 -1.938 4.306 1.00 0.00 C ATOM 248 CG1 ILE A 17 1.370 -2.192 4.307 1.00 0.00 C ATOM 249 CG2 ILE A 17 3.635 -3.248 4.204 1.00 0.00 C ATOM 250 CD1 ILE A 17 0.873 -2.777 3.003 1.00 0.00 C ATOM 0 H ILE A 17 1.970 -2.280 6.678 1.00 0.00 H new ATOM 0 HA ILE A 17 4.418 -1.268 5.633 1.00 0.00 H new ATOM 0 HB ILE A 17 3.103 -1.325 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.121 -2.871 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.849 -1.255 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.302 -3.792 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.703 -3.046 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.444 -3.848 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.204 -2.936 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.094 -2.088 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.370 -3.729 2.818 1.00 0.00 H new ATOM 262 N ALA A 18 1.771 0.694 5.659 1.00 0.00 N ATOM 263 CA ALA A 18 1.337 2.079 5.532 1.00 0.00 C ATOM 264 C ALA A 18 2.147 2.994 6.437 1.00 0.00 C ATOM 265 O ALA A 18 2.668 4.017 5.997 1.00 0.00 O ATOM 266 CB ALA A 18 -0.135 2.205 5.864 1.00 0.00 C ATOM 0 H ALA A 18 1.043 0.051 5.972 1.00 0.00 H new ATOM 0 HA ALA A 18 1.499 2.384 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.443 3.246 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.717 1.587 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.307 1.872 6.888 1.00 0.00 H new ATOM 272 N ALA A 19 2.277 2.605 7.698 1.00 0.00 N ATOM 273 CA ALA A 19 3.018 3.403 8.661 1.00 0.00 C ATOM 274 C ALA A 19 4.511 3.352 8.372 1.00 0.00 C ATOM 275 O ALA A 19 5.258 4.240 8.784 1.00 0.00 O ATOM 276 CB ALA A 19 2.732 2.944 10.082 1.00 0.00 C ATOM 0 H ALA A 19 1.880 1.745 8.076 1.00 0.00 H new ATOM 0 HA ALA A 19 2.687 4.437 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.298 3.557 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.667 3.045 10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.026 1.900 10.193 1.00 0.00 H new ATOM 282 N GLN A 20 4.941 2.314 7.660 1.00 0.00 N ATOM 283 CA GLN A 20 6.354 2.145 7.339 1.00 0.00 C ATOM 284 C GLN A 20 6.864 3.289 6.458 1.00 0.00 C ATOM 285 O GLN A 20 7.923 3.856 6.725 1.00 0.00 O ATOM 286 CB GLN A 20 6.602 0.796 6.659 1.00 0.00 C ATOM 287 CG GLN A 20 8.068 0.542 6.358 1.00 0.00 C ATOM 288 CD GLN A 20 8.347 -0.854 5.842 1.00 0.00 C ATOM 289 OE1 GLN A 20 7.507 -1.477 5.193 1.00 0.00 O ATOM 290 NE2 GLN A 20 9.544 -1.348 6.115 1.00 0.00 N ATOM 0 H GLN A 20 4.333 1.580 7.296 1.00 0.00 H new ATOM 0 HA GLN A 20 6.909 2.166 8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.225 -0.002 7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.034 0.754 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.410 1.268 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.651 0.709 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.211 -0.798 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.799 -2.278 5.784 1.00 0.00 H new ATOM 299 N TYR A 21 6.116 3.635 5.412 1.00 0.00 N ATOM 300 CA TYR A 21 6.494 4.772 4.572 1.00 0.00 C ATOM 301 C TYR A 21 5.693 6.019 4.937 1.00 0.00 C ATOM 302 O TYR A 21 5.782 7.051 4.269 1.00 0.00 O ATOM 303 CB TYR A 21 6.372 4.458 3.070 1.00 0.00 C ATOM 304 CG TYR A 21 5.257 3.509 2.685 1.00 0.00 C ATOM 305 CD1 TYR A 21 3.924 3.808 2.939 1.00 0.00 C ATOM 306 CD2 TYR A 21 5.549 2.312 2.044 1.00 0.00 C ATOM 307 CE1 TYR A 21 2.917 2.935 2.568 1.00 0.00 C ATOM 308 CE2 TYR A 21 4.549 1.439 1.669 1.00 0.00 C ATOM 309 CZ TYR A 21 3.236 1.753 1.932 1.00 0.00 C ATOM 310 OH TYR A 21 2.237 0.884 1.557 1.00 0.00 O ATOM 0 H TYR A 21 5.261 3.156 5.129 1.00 0.00 H new ATOM 0 HA TYR A 21 7.547 4.972 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.228 5.395 2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.317 4.036 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.671 4.735 3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.578 2.060 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.885 3.178 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.796 0.513 1.171 1.00 0.00 H new ATOM 0 HH TYR A 21 2.632 0.101 1.120 1.00 0.00 H new ATOM 320 N GLY A 22 4.907 5.911 6.000 1.00 0.00 N ATOM 321 CA GLY A 22 4.249 7.072 6.569 1.00 0.00 C ATOM 322 C GLY A 22 3.061 7.567 5.766 1.00 0.00 C ATOM 323 O GLY A 22 2.956 8.762 5.491 1.00 0.00 O ATOM 0 H GLY A 22 4.712 5.033 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.916 6.829 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.975 7.880 6.659 1.00 0.00 H new ATOM 327 N VAL A 23 2.172 6.661 5.387 1.00 0.00 N ATOM 328 CA VAL A 23 0.931 7.052 4.735 1.00 0.00 C ATOM 329 C VAL A 23 -0.241 6.346 5.420 1.00 0.00 C ATOM 330 O VAL A 23 -0.031 5.441 6.231 1.00 0.00 O ATOM 331 CB VAL A 23 0.949 6.741 3.217 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.439 5.336 2.919 1.00 0.00 C ATOM 333 CG2 VAL A 23 0.173 7.799 2.444 1.00 0.00 C ATOM 0 H VAL A 23 2.285 5.656 5.519 1.00 0.00 H new ATOM 0 HA VAL A 23 0.817 8.132 4.832 1.00 0.00 H new ATOM 0 HB VAL A 23 1.986 6.773 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.468 5.159 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.070 4.605 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.586 5.238 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.197 7.563 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.861 7.816 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.627 8.776 2.609 1.00 0.00 H new ATOM 343 N SER A 24 -1.460 6.760 5.115 1.00 0.00 N ATOM 344 CA SER A 24 -2.626 6.197 5.770 1.00 0.00 C ATOM 345 C SER A 24 -3.196 5.004 5.001 1.00 0.00 C ATOM 346 O SER A 24 -3.152 4.929 3.759 1.00 0.00 O ATOM 347 CB SER A 24 -3.706 7.269 5.963 1.00 0.00 C ATOM 348 OG SER A 24 -4.862 6.733 6.588 1.00 0.00 O ATOM 0 H SER A 24 -1.666 7.480 4.422 1.00 0.00 H new ATOM 0 HA SER A 24 -2.304 5.835 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.308 8.084 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.977 7.693 4.996 1.00 0.00 H new ATOM 0 HG SER A 24 -5.531 7.440 6.699 1.00 0.00 H new ATOM 354 N VAL A 25 -3.731 4.072 5.768 1.00 0.00 N ATOM 355 CA VAL A 25 -4.414 2.914 5.229 1.00 0.00 C ATOM 356 C VAL A 25 -5.596 3.349 4.366 1.00 0.00 C ATOM 357 O VAL A 25 -5.913 2.710 3.365 1.00 0.00 O ATOM 358 CB VAL A 25 -4.897 2.000 6.375 1.00 0.00 C ATOM 359 CG1 VAL A 25 -5.612 0.777 5.840 1.00 0.00 C ATOM 360 CG2 VAL A 25 -3.724 1.584 7.254 1.00 0.00 C ATOM 0 H VAL A 25 -3.703 4.099 6.787 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.716 2.356 4.606 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.606 2.567 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.940 0.154 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.479 1.088 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.933 0.207 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.082 0.940 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.993 1.043 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.257 2.471 7.681 1.00 0.00 H new ATOM 370 N ALA A 26 -6.206 4.469 4.736 1.00 0.00 N ATOM 371 CA ALA A 26 -7.365 4.981 4.018 1.00 0.00 C ATOM 372 C ALA A 26 -7.010 5.358 2.582 1.00 0.00 C ATOM 373 O ALA A 26 -7.701 4.966 1.639 1.00 0.00 O ATOM 374 CB ALA A 26 -7.953 6.176 4.754 1.00 0.00 C ATOM 0 H ALA A 26 -5.916 5.040 5.530 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.112 4.189 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.819 6.550 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.259 5.872 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.203 6.963 4.827 1.00 0.00 H new ATOM 380 N ASN A 27 -5.909 6.086 2.406 1.00 0.00 N ATOM 381 CA ASN A 27 -5.526 6.544 1.074 1.00 0.00 C ATOM 382 C ASN A 27 -5.100 5.389 0.185 1.00 0.00 C ATOM 383 O ASN A 27 -5.531 5.317 -0.966 1.00 0.00 O ATOM 384 CB ASN A 27 -4.434 7.624 1.110 1.00 0.00 C ATOM 385 CG ASN A 27 -3.241 7.253 1.949 1.00 0.00 C ATOM 386 OD1 ASN A 27 -3.114 7.703 3.080 1.00 0.00 O ATOM 387 ND2 ASN A 27 -2.366 6.425 1.409 1.00 0.00 N ATOM 0 H ASN A 27 -5.277 6.367 3.155 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.419 6.999 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.102 7.826 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.863 8.549 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.544 6.136 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.512 6.075 0.462 1.00 0.00 H new ATOM 394 N LEU A 28 -4.278 4.464 0.686 1.00 0.00 N ATOM 395 CA LEU A 28 -3.840 3.374 -0.178 1.00 0.00 C ATOM 396 C LEU A 28 -4.996 2.445 -0.531 1.00 0.00 C ATOM 397 O LEU A 28 -5.043 1.902 -1.630 1.00 0.00 O ATOM 398 CB LEU A 28 -2.610 2.624 0.359 1.00 0.00 C ATOM 399 CG LEU A 28 -2.607 2.208 1.828 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.399 0.922 2.037 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.167 2.036 2.291 1.00 0.00 C ATOM 0 H LEU A 28 -3.918 4.447 1.640 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.501 3.832 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.479 1.725 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.736 3.252 0.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.090 2.986 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.379 0.650 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.431 1.075 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.954 0.121 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.155 1.739 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.681 1.267 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.632 2.979 2.175 1.00 0.00 H new ATOM 413 N ARG A 29 -5.944 2.291 0.377 1.00 0.00 N ATOM 414 CA ARG A 29 -7.163 1.547 0.074 1.00 0.00 C ATOM 415 C ARG A 29 -7.945 2.215 -1.060 1.00 0.00 C ATOM 416 O ARG A 29 -8.555 1.538 -1.889 1.00 0.00 O ATOM 417 CB ARG A 29 -8.049 1.440 1.316 1.00 0.00 C ATOM 418 CG ARG A 29 -7.613 0.365 2.300 1.00 0.00 C ATOM 419 CD ARG A 29 -8.307 0.541 3.640 1.00 0.00 C ATOM 420 NE ARG A 29 -8.197 -0.650 4.483 1.00 0.00 N ATOM 421 CZ ARG A 29 -9.233 -1.417 4.829 1.00 0.00 C ATOM 422 NH1 ARG A 29 -10.452 -1.139 4.379 1.00 0.00 N ATOM 423 NH2 ARG A 29 -9.051 -2.460 5.631 1.00 0.00 N ATOM 0 H ARG A 29 -5.898 2.666 1.324 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.872 0.546 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.058 2.403 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.073 1.236 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.843 -0.620 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.533 0.409 2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.873 1.394 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.360 0.770 3.474 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.273 -0.910 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.599 -0.337 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.241 -1.728 4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.118 -2.676 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.844 -3.045 5.895 1.00 0.00 H new ATOM 437 N SER A 30 -7.900 3.543 -1.104 1.00 0.00 N ATOM 438 CA SER A 30 -8.686 4.304 -2.070 1.00 0.00 C ATOM 439 C SER A 30 -8.151 4.155 -3.501 1.00 0.00 C ATOM 440 O SER A 30 -8.925 3.912 -4.426 1.00 0.00 O ATOM 441 CB SER A 30 -8.713 5.780 -1.661 1.00 0.00 C ATOM 442 OG SER A 30 -9.563 6.539 -2.505 1.00 0.00 O ATOM 0 H SER A 30 -7.328 4.115 -0.482 1.00 0.00 H new ATOM 0 HA SER A 30 -9.699 3.902 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.053 5.866 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.703 6.188 -1.699 1.00 0.00 H new ATOM 0 HG SER A 30 -9.559 7.476 -2.216 1.00 0.00 H new ATOM 448 N TRP A 31 -6.839 4.260 -3.698 1.00 0.00 N ATOM 449 CA TRP A 31 -6.294 4.191 -5.057 1.00 0.00 C ATOM 450 C TRP A 31 -5.962 2.769 -5.491 1.00 0.00 C ATOM 451 O TRP A 31 -5.526 2.548 -6.623 1.00 0.00 O ATOM 452 CB TRP A 31 -5.084 5.110 -5.256 1.00 0.00 C ATOM 453 CG TRP A 31 -4.078 5.097 -4.146 1.00 0.00 C ATOM 454 CD1 TRP A 31 -3.381 4.026 -3.679 1.00 0.00 C ATOM 455 CD2 TRP A 31 -3.633 6.228 -3.385 1.00 0.00 C ATOM 456 NE1 TRP A 31 -2.538 4.417 -2.670 1.00 0.00 N ATOM 457 CE2 TRP A 31 -2.673 5.762 -2.471 1.00 0.00 C ATOM 458 CE3 TRP A 31 -3.955 7.589 -3.384 1.00 0.00 C ATOM 459 CZ2 TRP A 31 -2.033 6.604 -1.570 1.00 0.00 C ATOM 460 CZ3 TRP A 31 -3.319 8.423 -2.487 1.00 0.00 C ATOM 461 CH2 TRP A 31 -2.367 7.928 -1.591 1.00 0.00 C ATOM 0 H TRP A 31 -6.148 4.390 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.095 4.552 -5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.582 4.827 -6.181 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.442 6.131 -5.387 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.477 3.016 -4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.911 3.802 -2.151 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.689 7.981 -4.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.297 6.225 -0.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.561 9.476 -2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.886 8.606 -0.902 1.00 0.00 H new ATOM 472 N ASN A 32 -6.161 1.806 -4.613 1.00 0.00 N ATOM 473 CA ASN A 32 -5.986 0.414 -5.001 1.00 0.00 C ATOM 474 C ASN A 32 -7.318 -0.195 -5.405 1.00 0.00 C ATOM 475 O ASN A 32 -7.363 -1.178 -6.143 1.00 0.00 O ATOM 476 CB ASN A 32 -5.336 -0.407 -3.885 1.00 0.00 C ATOM 477 CG ASN A 32 -3.822 -0.320 -3.914 1.00 0.00 C ATOM 478 OD1 ASN A 32 -3.158 -1.087 -4.605 1.00 0.00 O ATOM 479 ND2 ASN A 32 -3.269 0.610 -3.154 1.00 0.00 N ATOM 0 H ASN A 32 -6.439 1.953 -3.643 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.314 0.392 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.700 -0.056 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.640 -1.450 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.254 0.710 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.857 1.228 -2.595 1.00 0.00 H new ATOM 486 N GLY A 33 -8.407 0.412 -4.940 1.00 0.00 N ATOM 487 CA GLY A 33 -9.737 -0.065 -5.284 1.00 0.00 C ATOM 488 C GLY A 33 -10.031 -1.420 -4.677 1.00 0.00 C ATOM 489 O GLY A 33 -10.886 -2.162 -5.163 1.00 0.00 O ATOM 0 H GLY A 33 -8.392 1.229 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.480 0.655 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.831 -0.126 -6.368 1.00 0.00 H new ATOM 493 N ILE A 34 -9.304 -1.748 -3.626 1.00 0.00 N ATOM 494 CA ILE A 34 -9.471 -3.017 -2.942 1.00 0.00 C ATOM 495 C ILE A 34 -9.612 -2.774 -1.453 1.00 0.00 C ATOM 496 O ILE A 34 -9.016 -1.838 -0.914 1.00 0.00 O ATOM 497 CB ILE A 34 -8.253 -3.948 -3.154 1.00 0.00 C ATOM 498 CG1 ILE A 34 -7.829 -3.981 -4.620 1.00 0.00 C ATOM 499 CG2 ILE A 34 -8.567 -5.359 -2.668 1.00 0.00 C ATOM 500 CD1 ILE A 34 -6.516 -4.702 -4.839 1.00 0.00 C ATOM 0 H ILE A 34 -8.585 -1.147 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.361 -3.493 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.425 -3.548 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.607 -4.469 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.743 -2.960 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.699 -5.999 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.811 -5.332 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.416 -5.755 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.268 -4.692 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.728 -4.201 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.606 -5.733 -4.497 1.00 0.00 H new ATOM 512 N SER A 35 -10.402 -3.594 -0.787 1.00 0.00 N ATOM 513 CA SER A 35 -10.370 -3.626 0.654 1.00 0.00 C ATOM 514 C SER A 35 -9.025 -4.208 1.076 1.00 0.00 C ATOM 515 O SER A 35 -8.771 -5.397 0.891 1.00 0.00 O ATOM 516 CB SER A 35 -11.521 -4.476 1.194 1.00 0.00 C ATOM 517 OG SER A 35 -12.762 -4.054 0.649 1.00 0.00 O ATOM 0 H SER A 35 -11.065 -4.238 -1.218 1.00 0.00 H new ATOM 0 HA SER A 35 -10.488 -2.621 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.350 -5.524 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.553 -4.403 2.281 1.00 0.00 H new ATOM 0 HG SER A 35 -13.483 -4.613 1.007 1.00 0.00 H new ATOM 523 N GLY A 36 -8.162 -3.359 1.620 1.00 0.00 N ATOM 524 CA GLY A 36 -6.800 -3.760 1.933 1.00 0.00 C ATOM 525 C GLY A 36 -6.698 -4.753 3.076 1.00 0.00 C ATOM 526 O GLY A 36 -5.606 -5.022 3.569 1.00 0.00 O ATOM 0 H GLY A 36 -8.382 -2.391 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.347 -4.197 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.219 -2.872 2.183 1.00 0.00 H new ATOM 530 N ASP A 37 -7.829 -5.294 3.500 1.00 0.00 N ATOM 531 CA ASP A 37 -7.857 -6.279 4.569 1.00 0.00 C ATOM 532 C ASP A 37 -7.050 -7.510 4.179 1.00 0.00 C ATOM 533 O ASP A 37 -6.375 -8.114 5.012 1.00 0.00 O ATOM 534 CB ASP A 37 -9.299 -6.669 4.886 1.00 0.00 C ATOM 535 CG ASP A 37 -10.118 -5.481 5.347 1.00 0.00 C ATOM 536 OD1 ASP A 37 -10.643 -4.746 4.488 1.00 0.00 O ATOM 537 OD2 ASP A 37 -10.220 -5.263 6.572 1.00 0.00 O ATOM 0 H ASP A 37 -8.746 -5.065 3.117 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.408 -5.840 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.760 -7.106 4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.306 -7.437 5.660 1.00 0.00 H new ATOM 542 N LEU A 38 -7.121 -7.867 2.906 1.00 0.00 N ATOM 543 CA LEU A 38 -6.341 -8.976 2.382 1.00 0.00 C ATOM 544 C LEU A 38 -5.054 -8.471 1.725 1.00 0.00 C ATOM 545 O LEU A 38 -5.028 -8.137 0.538 1.00 0.00 O ATOM 546 CB LEU A 38 -7.162 -9.832 1.398 1.00 0.00 C ATOM 547 CG LEU A 38 -7.886 -9.081 0.269 1.00 0.00 C ATOM 548 CD1 LEU A 38 -8.144 -10.017 -0.902 1.00 0.00 C ATOM 549 CD2 LEU A 38 -9.205 -8.502 0.764 1.00 0.00 C ATOM 0 H LEU A 38 -7.712 -7.403 2.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.069 -9.615 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.494 -10.565 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.906 -10.388 1.969 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.247 -8.261 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.657 -9.474 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.195 -10.399 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.765 -10.850 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.700 -7.975 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.847 -9.309 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.013 -7.807 1.581 1.00 0.00 H new ATOM 561 N ILE A 39 -3.996 -8.383 2.518 1.00 0.00 N ATOM 562 CA ILE A 39 -2.687 -7.994 2.015 1.00 0.00 C ATOM 563 C ILE A 39 -1.661 -9.078 2.336 1.00 0.00 C ATOM 564 O ILE A 39 -1.632 -9.607 3.448 1.00 0.00 O ATOM 565 CB ILE A 39 -2.229 -6.629 2.593 1.00 0.00 C ATOM 566 CG1 ILE A 39 -2.964 -5.480 1.892 1.00 0.00 C ATOM 567 CG2 ILE A 39 -0.724 -6.445 2.471 1.00 0.00 C ATOM 568 CD1 ILE A 39 -2.368 -4.113 2.170 1.00 0.00 C ATOM 0 H ILE A 39 -4.020 -8.577 3.519 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.766 -7.880 0.934 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.480 -6.618 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.956 -5.658 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.007 -5.482 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.441 -5.478 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.215 -7.238 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.436 -6.487 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.941 -3.352 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.401 -3.913 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.333 -4.091 1.829 1.00 0.00 H new ATOM 580 N PHE A 40 -0.845 -9.426 1.349 1.00 0.00 N ATOM 581 CA PHE A 40 0.160 -10.465 1.518 1.00 0.00 C ATOM 582 C PHE A 40 1.480 -10.041 0.885 1.00 0.00 C ATOM 583 O PHE A 40 1.512 -9.144 0.039 1.00 0.00 O ATOM 584 CB PHE A 40 -0.326 -11.784 0.901 1.00 0.00 C ATOM 585 CG PHE A 40 -0.628 -11.698 -0.572 1.00 0.00 C ATOM 586 CD1 PHE A 40 -1.892 -11.351 -1.016 1.00 0.00 C ATOM 587 CD2 PHE A 40 0.356 -11.964 -1.511 1.00 0.00 C ATOM 588 CE1 PHE A 40 -2.169 -11.270 -2.366 1.00 0.00 C ATOM 589 CE2 PHE A 40 0.083 -11.885 -2.862 1.00 0.00 C ATOM 590 CZ PHE A 40 -1.180 -11.536 -3.291 1.00 0.00 C ATOM 0 H PHE A 40 -0.861 -9.002 0.421 1.00 0.00 H new ATOM 0 HA PHE A 40 0.321 -10.617 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.433 -12.549 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.223 -12.110 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.671 -11.141 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.348 -12.236 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.160 -10.998 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.859 -12.097 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.395 -11.471 -4.347 1.00 0.00 H new ATOM 600 N VAL A 41 2.560 -10.691 1.293 1.00 0.00 N ATOM 601 CA VAL A 41 3.885 -10.393 0.765 1.00 0.00 C ATOM 602 C VAL A 41 3.958 -10.737 -0.720 1.00 0.00 C ATOM 603 O VAL A 41 3.593 -11.842 -1.125 1.00 0.00 O ATOM 604 CB VAL A 41 4.981 -11.170 1.532 1.00 0.00 C ATOM 605 CG1 VAL A 41 6.367 -10.858 0.982 1.00 0.00 C ATOM 606 CG2 VAL A 41 4.912 -10.856 3.020 1.00 0.00 C ATOM 0 H VAL A 41 2.545 -11.433 1.993 1.00 0.00 H new ATOM 0 HA VAL A 41 4.060 -9.325 0.897 1.00 0.00 H new ATOM 0 HB VAL A 41 4.799 -12.235 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.115 -11.419 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.413 -11.141 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.566 -9.791 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.690 -11.411 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.062 -9.787 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.935 -11.145 3.408 1.00 0.00 H new ATOM 616 N GLY A 42 4.417 -9.792 -1.532 1.00 0.00 N ATOM 617 CA GLY A 42 4.478 -10.016 -2.958 1.00 0.00 C ATOM 618 C GLY A 42 3.382 -9.281 -3.700 1.00 0.00 C ATOM 619 O GLY A 42 3.444 -9.132 -4.923 1.00 0.00 O ATOM 0 H GLY A 42 4.747 -8.877 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.449 -9.692 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.398 -11.084 -3.160 1.00 0.00 H new ATOM 623 N GLN A 43 2.372 -8.827 -2.965 1.00 0.00 N ATOM 624 CA GLN A 43 1.281 -8.063 -3.553 1.00 0.00 C ATOM 625 C GLN A 43 1.735 -6.645 -3.856 1.00 0.00 C ATOM 626 O GLN A 43 2.279 -5.962 -2.993 1.00 0.00 O ATOM 627 CB GLN A 43 0.066 -8.036 -2.618 1.00 0.00 C ATOM 628 CG GLN A 43 -1.016 -7.056 -3.049 1.00 0.00 C ATOM 629 CD GLN A 43 -2.309 -7.233 -2.282 1.00 0.00 C ATOM 630 OE1 GLN A 43 -3.185 -7.994 -2.686 1.00 0.00 O ATOM 631 NE2 GLN A 43 -2.444 -6.528 -1.172 1.00 0.00 N ATOM 0 H GLN A 43 2.288 -8.976 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 43 0.989 -8.550 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.363 -9.037 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.398 -7.778 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.653 -6.038 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.211 -7.182 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.694 -5.906 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.298 -6.606 -0.619 1.00 0.00 H new ATOM 640 N LYS A 44 1.520 -6.215 -5.084 1.00 0.00 N ATOM 641 CA LYS A 44 1.869 -4.867 -5.485 1.00 0.00 C ATOM 642 C LYS A 44 0.692 -3.935 -5.231 1.00 0.00 C ATOM 643 O LYS A 44 -0.311 -3.991 -5.943 1.00 0.00 O ATOM 644 CB LYS A 44 2.235 -4.847 -6.968 1.00 0.00 C ATOM 645 CG LYS A 44 2.734 -3.502 -7.464 1.00 0.00 C ATOM 646 CD LYS A 44 2.641 -3.413 -8.979 1.00 0.00 C ATOM 647 CE LYS A 44 3.440 -4.513 -9.664 1.00 0.00 C ATOM 648 NZ LYS A 44 3.069 -4.648 -11.096 1.00 0.00 N ATOM 0 H LYS A 44 1.104 -6.782 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 44 2.726 -4.529 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.003 -5.598 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.361 -5.136 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.147 -2.703 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.767 -3.355 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.596 -3.481 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.007 -2.440 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.505 -4.295 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.269 -5.460 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.633 -5.406 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.058 -4.881 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.256 -3.752 -11.589 1.00 0.00 H new ATOM 662 N LEU A 45 0.804 -3.092 -4.216 1.00 0.00 N ATOM 663 CA LEU A 45 -0.270 -2.169 -3.896 1.00 0.00 C ATOM 664 C LEU A 45 0.198 -0.725 -4.115 1.00 0.00 C ATOM 665 O LEU A 45 1.356 -0.389 -3.857 1.00 0.00 O ATOM 666 CB LEU A 45 -0.838 -2.445 -2.466 1.00 0.00 C ATOM 667 CG LEU A 45 -0.097 -1.896 -1.228 1.00 0.00 C ATOM 668 CD1 LEU A 45 1.378 -2.222 -1.266 1.00 0.00 C ATOM 669 CD2 LEU A 45 -0.331 -0.404 -1.051 1.00 0.00 C ATOM 0 H LEU A 45 1.619 -3.029 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.108 -2.328 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.854 -2.051 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.912 -3.526 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.517 -2.399 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.863 -1.818 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.511 -3.304 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.826 -1.780 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.206 -0.053 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.030 0.128 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.397 -0.215 -0.925 1.00 0.00 H new ATOM 681 N ILE A 46 -0.696 0.106 -4.648 1.00 0.00 N ATOM 682 CA ILE A 46 -0.372 1.494 -4.981 1.00 0.00 C ATOM 683 C ILE A 46 -0.128 2.323 -3.723 1.00 0.00 C ATOM 684 O ILE A 46 -0.861 2.208 -2.738 1.00 0.00 O ATOM 685 CB ILE A 46 -1.506 2.176 -5.791 1.00 0.00 C ATOM 686 CG1 ILE A 46 -1.890 1.360 -7.028 1.00 0.00 C ATOM 687 CG2 ILE A 46 -1.096 3.582 -6.212 1.00 0.00 C ATOM 688 CD1 ILE A 46 -0.749 1.142 -8.002 1.00 0.00 C ATOM 0 H ILE A 46 -1.658 -0.160 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 46 0.534 1.455 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.377 2.234 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.270 0.390 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.705 1.866 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.905 4.043 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.887 4.181 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.202 3.530 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.102 0.556 -8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.382 2.106 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.059 0.607 -7.502 1.00 0.00 H new ATOM 700 N VAL A 47 0.900 3.155 -3.769 1.00 0.00 N ATOM 701 CA VAL A 47 1.177 4.106 -2.710 1.00 0.00 C ATOM 702 C VAL A 47 1.793 5.395 -3.290 1.00 0.00 C ATOM 703 O VAL A 47 2.869 5.383 -3.894 1.00 0.00 O ATOM 704 CB VAL A 47 2.093 3.505 -1.612 1.00 0.00 C ATOM 705 CG1 VAL A 47 3.439 3.062 -2.174 1.00 0.00 C ATOM 706 CG2 VAL A 47 2.269 4.496 -0.469 1.00 0.00 C ATOM 0 H VAL A 47 1.564 3.188 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 47 0.227 4.353 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 47 1.605 2.611 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.049 2.647 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.281 2.303 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.950 3.919 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.914 4.060 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.722 5.412 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.296 4.726 -0.034 1.00 0.00 H new ATOM 716 N LYS A 48 1.030 6.475 -3.197 1.00 0.00 N ATOM 717 CA LYS A 48 1.516 7.835 -3.480 1.00 0.00 C ATOM 718 C LYS A 48 0.384 8.835 -3.315 1.00 0.00 C ATOM 719 O LYS A 48 -0.619 8.765 -4.022 1.00 0.00 O ATOM 720 CB LYS A 48 2.100 7.955 -4.891 1.00 0.00 C ATOM 721 CG LYS A 48 2.556 9.359 -5.261 1.00 0.00 C ATOM 722 CD LYS A 48 3.699 9.826 -4.378 1.00 0.00 C ATOM 723 CE LYS A 48 4.136 11.234 -4.735 1.00 0.00 C ATOM 724 NZ LYS A 48 5.235 11.701 -3.855 1.00 0.00 N ATOM 0 H LYS A 48 0.048 6.441 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 48 2.313 8.050 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.947 7.275 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.350 7.627 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.871 9.377 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.718 10.050 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.390 9.793 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.543 9.144 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.464 11.262 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.287 11.912 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.510 12.667 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.913 11.697 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.053 11.067 -3.955 1.00 0.00 H new ATOM 738 N LYS A 49 0.546 9.758 -2.382 1.00 0.00 N ATOM 739 CA LYS A 49 -0.497 10.725 -2.081 1.00 0.00 C ATOM 740 C LYS A 49 -0.350 11.957 -2.967 1.00 0.00 C ATOM 741 O LYS A 49 0.621 12.704 -2.845 1.00 0.00 O ATOM 742 CB LYS A 49 -0.423 11.127 -0.602 1.00 0.00 C ATOM 743 CG LYS A 49 -1.737 11.621 0.003 1.00 0.00 C ATOM 744 CD LYS A 49 -2.287 12.848 -0.711 1.00 0.00 C ATOM 745 CE LYS A 49 -3.463 13.455 0.040 1.00 0.00 C ATOM 746 NZ LYS A 49 -3.028 14.171 1.269 1.00 0.00 N ATOM 0 H LYS A 49 1.391 9.858 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.467 10.269 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.075 10.270 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.327 11.910 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.475 10.820 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.582 11.857 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.498 13.593 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.601 12.573 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.993 14.147 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.167 12.668 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.836 14.682 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.667 13.484 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.276 14.848 1.029 1.00 0.00 H new ATOM 760 N GLY A 50 -1.307 12.159 -3.862 1.00 0.00 N ATOM 761 CA GLY A 50 -1.344 13.381 -4.636 1.00 0.00 C ATOM 762 C GLY A 50 -1.048 13.170 -6.104 1.00 0.00 C ATOM 763 O GLY A 50 0.057 12.772 -6.477 1.00 0.00 O ATOM 0 H GLY A 50 -2.057 11.498 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.328 13.838 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.621 14.085 -4.225 1.00 0.00 H new ATOM 767 N SER A 51 -2.045 13.431 -6.935 1.00 0.00 N ATOM 768 CA SER A 51 -1.860 13.414 -8.376 1.00 0.00 C ATOM 769 C SER A 51 -1.254 14.737 -8.826 1.00 0.00 C ATOM 770 O SER A 51 -1.945 15.771 -8.722 1.00 0.00 O ATOM 771 CB SER A 51 -3.190 13.166 -9.091 1.00 0.00 C ATOM 772 OG SER A 51 -3.757 11.923 -8.704 1.00 0.00 O ATOM 0 H SER A 51 -2.993 13.658 -6.634 1.00 0.00 H new ATOM 0 HA SER A 51 -1.182 12.601 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.885 13.973 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.034 13.177 -10.170 1.00 0.00 H new ATOM 0 HG SER A 51 -4.607 11.790 -9.174 1.00 0.00 H new TER 778 SER A 51