USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 40 SER OG : rot 121:sc= 0.00119 USER MOD Set 1.2: A 43 GLN : amide:sc= 0 X(o=0.0012,f=0) USER MOD Single : A 1 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0016) USER MOD Single : A 1 GLN N :NH3+ 141:sc= 0.0503 (180deg=-0.491) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 75:sc= -0.131 USER MOD Single : A 30 ASN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 140:sc= 0.96 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.00393) USER MOD Single : A 61 TYR OH : rot -119:sc= 1.15 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 41.540 -4.570 14.339 1.00 0.00 N ATOM 2 CA GLN A 1 42.486 -4.095 13.280 1.00 0.00 C ATOM 3 C GLN A 1 42.264 -2.607 12.985 1.00 0.00 C ATOM 4 O GLN A 1 41.340 -1.993 13.485 1.00 0.00 O ATOM 5 CB GLN A 1 42.179 -4.939 12.035 1.00 0.00 C ATOM 6 CG GLN A 1 40.712 -4.764 11.621 1.00 0.00 C ATOM 7 CD GLN A 1 40.585 -4.924 10.104 1.00 0.00 C ATOM 8 OE1 GLN A 1 40.283 -5.995 9.619 1.00 0.00 O ATOM 9 NE2 GLN A 1 40.802 -3.897 9.329 1.00 0.00 N ATOM 0 H1 GLN A 1 41.208 -5.527 14.104 1.00 0.00 H new ATOM 0 H2 GLN A 1 42.028 -4.589 15.257 1.00 0.00 H new ATOM 0 H3 GLN A 1 40.726 -3.924 14.393 1.00 0.00 H new ATOM 0 HA GLN A 1 43.524 -4.205 13.595 1.00 0.00 H new ATOM 0 HB2 GLN A 1 42.833 -4.642 11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 1 42.383 -5.990 12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 1 40.090 -5.501 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 1 40.353 -3.781 11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 1 41.056 -2.996 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 1 40.718 -3.995 8.317 1.00 0.00 H new ATOM 20 N VAL A 2 43.108 -2.032 12.169 1.00 0.00 N ATOM 21 CA VAL A 2 42.960 -0.582 11.823 1.00 0.00 C ATOM 22 C VAL A 2 41.771 -0.379 10.870 1.00 0.00 C ATOM 23 O VAL A 2 41.341 -1.297 10.196 1.00 0.00 O ATOM 24 CB VAL A 2 44.285 -0.190 11.149 1.00 0.00 C ATOM 25 CG1 VAL A 2 44.371 -0.808 9.749 1.00 0.00 C ATOM 26 CG2 VAL A 2 44.368 1.335 11.034 1.00 0.00 C ATOM 0 H VAL A 2 43.896 -2.503 11.725 1.00 0.00 H new ATOM 0 HA VAL A 2 42.762 0.034 12.700 1.00 0.00 H new ATOM 0 HB VAL A 2 45.112 -0.561 11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 2 45.314 -0.523 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 2 44.319 -1.894 9.827 1.00 0.00 H new ATOM 0 HG13 VAL A 2 43.542 -0.447 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 2 45.307 1.613 10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 2 43.534 1.701 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 2 44.322 1.778 12.029 1.00 0.00 H new ATOM 36 N TYR A 3 41.237 0.817 10.814 1.00 0.00 N ATOM 37 CA TYR A 3 40.074 1.084 9.909 1.00 0.00 C ATOM 38 C TYR A 3 40.558 1.359 8.479 1.00 0.00 C ATOM 39 O TYR A 3 41.287 2.302 8.230 1.00 0.00 O ATOM 40 CB TYR A 3 39.386 2.324 10.490 1.00 0.00 C ATOM 41 CG TYR A 3 38.371 1.903 11.528 1.00 0.00 C ATOM 42 CD1 TYR A 3 38.789 1.577 12.824 1.00 0.00 C ATOM 43 CD2 TYR A 3 37.013 1.839 11.193 1.00 0.00 C ATOM 44 CE1 TYR A 3 37.849 1.188 13.785 1.00 0.00 C ATOM 45 CE2 TYR A 3 36.073 1.449 12.154 1.00 0.00 C ATOM 46 CZ TYR A 3 36.491 1.123 13.450 1.00 0.00 C ATOM 47 OH TYR A 3 35.564 0.739 14.397 1.00 0.00 O ATOM 0 H TYR A 3 41.556 1.620 11.356 1.00 0.00 H new ATOM 0 HA TYR A 3 39.397 0.231 9.855 1.00 0.00 H new ATOM 0 HB2 TYR A 3 40.126 2.986 10.939 1.00 0.00 H new ATOM 0 HB3 TYR A 3 38.896 2.886 9.695 1.00 0.00 H new ATOM 0 HD1 TYR A 3 39.837 1.626 13.082 1.00 0.00 H new ATOM 0 HD2 TYR A 3 36.691 2.091 10.193 1.00 0.00 H new ATOM 0 HE1 TYR A 3 38.171 0.938 14.785 1.00 0.00 H new ATOM 0 HE2 TYR A 3 35.025 1.400 11.896 1.00 0.00 H new ATOM 0 HH TYR A 3 34.668 0.748 14.000 1.00 0.00 H new ATOM 57 N LYS A 4 40.155 0.540 7.538 1.00 0.00 N ATOM 58 CA LYS A 4 40.586 0.747 6.120 1.00 0.00 C ATOM 59 C LYS A 4 39.421 1.302 5.287 1.00 0.00 C ATOM 60 O LYS A 4 38.550 0.568 4.855 1.00 0.00 O ATOM 61 CB LYS A 4 40.998 -0.642 5.620 1.00 0.00 C ATOM 62 CG LYS A 4 42.307 -1.066 6.294 1.00 0.00 C ATOM 63 CD LYS A 4 42.853 -2.325 5.612 1.00 0.00 C ATOM 64 CE LYS A 4 44.046 -1.953 4.725 1.00 0.00 C ATOM 65 NZ LYS A 4 44.360 -3.189 3.948 1.00 0.00 N ATOM 0 H LYS A 4 39.546 -0.264 7.691 1.00 0.00 H new ATOM 0 HA LYS A 4 41.402 1.464 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 4 40.213 -1.366 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 4 41.123 -0.627 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 4 43.038 -0.260 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 4 42.136 -1.259 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 4 43.158 -3.054 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 4 42.073 -2.793 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 4 43.800 -1.124 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 4 44.900 -1.638 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 45.168 -3.008 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 44.598 -3.960 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 43.533 -3.461 3.380 1.00 0.00 H new ATOM 79 N GLY A 5 39.402 2.593 5.059 1.00 0.00 N ATOM 80 CA GLY A 5 38.301 3.205 4.257 1.00 0.00 C ATOM 81 C GLY A 5 38.700 3.244 2.780 1.00 0.00 C ATOM 82 O GLY A 5 38.750 4.295 2.169 1.00 0.00 O ATOM 0 H GLY A 5 40.105 3.250 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 5 37.384 2.629 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 5 38.095 4.214 4.615 1.00 0.00 H new ATOM 86 N GLY A 6 38.984 2.105 2.202 1.00 0.00 N ATOM 87 CA GLY A 6 39.382 2.068 0.765 1.00 0.00 C ATOM 88 C GLY A 6 39.798 0.647 0.383 1.00 0.00 C ATOM 89 O GLY A 6 40.896 0.422 -0.088 1.00 0.00 O ATOM 0 H GLY A 6 38.957 1.197 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 6 38.552 2.395 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 6 40.206 2.759 0.588 1.00 0.00 H new ATOM 93 N TYR A 7 38.927 -0.313 0.581 1.00 0.00 N ATOM 94 CA TYR A 7 39.267 -1.724 0.225 1.00 0.00 C ATOM 95 C TYR A 7 39.350 -1.866 -1.300 1.00 0.00 C ATOM 96 O TYR A 7 38.343 -1.850 -1.984 1.00 0.00 O ATOM 97 CB TYR A 7 38.120 -2.569 0.792 1.00 0.00 C ATOM 98 CG TYR A 7 38.359 -4.028 0.477 1.00 0.00 C ATOM 99 CD1 TYR A 7 39.313 -4.754 1.200 1.00 0.00 C ATOM 100 CD2 TYR A 7 37.627 -4.652 -0.540 1.00 0.00 C ATOM 101 CE1 TYR A 7 39.534 -6.104 0.906 1.00 0.00 C ATOM 102 CE2 TYR A 7 37.849 -6.002 -0.834 1.00 0.00 C ATOM 103 CZ TYR A 7 38.802 -6.728 -0.111 1.00 0.00 C ATOM 104 OH TYR A 7 39.022 -8.058 -0.402 1.00 0.00 O ATOM 0 H TYR A 7 37.995 -0.179 0.974 1.00 0.00 H new ATOM 0 HA TYR A 7 40.230 -2.038 0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 7 38.049 -2.427 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 7 37.171 -2.245 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 39.878 -4.272 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 36.891 -4.092 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 40.269 -6.665 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 7 37.285 -6.484 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 7 38.431 -8.335 -1.133 1.00 0.00 H new ATOM 114 N ALA A 8 40.551 -1.990 -1.827 1.00 0.00 N ATOM 115 CA ALA A 8 40.748 -2.123 -3.312 1.00 0.00 C ATOM 116 C ALA A 8 40.427 -0.796 -4.022 1.00 0.00 C ATOM 117 O ALA A 8 41.268 -0.231 -4.697 1.00 0.00 O ATOM 118 CB ALA A 8 39.800 -3.239 -3.770 1.00 0.00 C ATOM 0 H ALA A 8 41.414 -2.005 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 8 41.782 -2.364 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 8 39.899 -3.382 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 8 40.054 -4.166 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 8 38.772 -2.963 -3.534 1.00 0.00 H new ATOM 124 N ARG A 9 39.224 -0.294 -3.875 1.00 0.00 N ATOM 125 CA ARG A 9 38.853 0.992 -4.535 1.00 0.00 C ATOM 126 C ARG A 9 39.258 2.184 -3.652 1.00 0.00 C ATOM 127 O ARG A 9 38.900 2.238 -2.490 1.00 0.00 O ATOM 128 CB ARG A 9 37.330 0.932 -4.688 1.00 0.00 C ATOM 129 CG ARG A 9 36.845 2.141 -5.492 1.00 0.00 C ATOM 130 CD ARG A 9 35.404 1.904 -5.950 1.00 0.00 C ATOM 131 NE ARG A 9 35.222 2.801 -7.126 1.00 0.00 N ATOM 132 CZ ARG A 9 34.262 3.687 -7.132 1.00 0.00 C ATOM 133 NH1 ARG A 9 34.428 4.830 -6.520 1.00 0.00 N ATOM 134 NH2 ARG A 9 33.140 3.430 -7.754 1.00 0.00 N ATOM 0 H ARG A 9 38.482 -0.724 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 9 39.357 1.123 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 9 37.041 0.009 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.856 0.922 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.900 3.043 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.491 2.300 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.242 0.861 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.694 2.142 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 9 35.848 2.723 -7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.305 5.028 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 33.680 5.524 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.015 2.538 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 9 32.390 4.121 -7.759 1.00 0.00 H new ATOM 148 N PRO A 10 39.988 3.107 -4.238 1.00 0.00 N ATOM 149 CA PRO A 10 40.436 4.312 -3.493 1.00 0.00 C ATOM 150 C PRO A 10 39.254 5.265 -3.265 1.00 0.00 C ATOM 151 O PRO A 10 38.547 5.619 -4.190 1.00 0.00 O ATOM 152 CB PRO A 10 41.480 4.938 -4.417 1.00 0.00 C ATOM 153 CG PRO A 10 41.126 4.458 -5.788 1.00 0.00 C ATOM 154 CD PRO A 10 40.458 3.116 -5.631 1.00 0.00 C ATOM 0 HA PRO A 10 40.837 4.086 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 10 41.453 6.026 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 10 42.488 4.629 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.459 5.164 -6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 10 42.018 4.374 -6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 10 39.631 2.999 -6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 10 41.155 2.300 -5.821 1.00 0.00 H new ATOM 162 N ILE A 11 39.036 5.670 -2.033 1.00 0.00 N ATOM 163 CA ILE A 11 37.895 6.595 -1.713 1.00 0.00 C ATOM 164 C ILE A 11 36.578 6.031 -2.283 1.00 0.00 C ATOM 165 O ILE A 11 35.981 6.616 -3.170 1.00 0.00 O ATOM 166 CB ILE A 11 38.257 7.940 -2.367 1.00 0.00 C ATOM 167 CG1 ILE A 11 39.638 8.400 -1.880 1.00 0.00 C ATOM 168 CG2 ILE A 11 37.216 8.997 -1.985 1.00 0.00 C ATOM 169 CD1 ILE A 11 40.576 8.561 -3.078 1.00 0.00 C ATOM 0 H ILE A 11 39.603 5.398 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 11 37.746 6.709 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 11 38.273 7.814 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.550 9.345 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.048 7.673 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 11 37.476 9.948 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 11 36.232 8.680 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 11 37.199 9.116 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 11 41.556 8.888 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.673 7.606 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 11 40.167 9.304 -3.763 1.00 0.00 H new ATOM 181 N PRO A 12 36.171 4.900 -1.751 1.00 0.00 N ATOM 182 CA PRO A 12 34.922 4.244 -2.210 1.00 0.00 C ATOM 183 C PRO A 12 33.693 4.918 -1.575 1.00 0.00 C ATOM 184 O PRO A 12 33.044 4.361 -0.707 1.00 0.00 O ATOM 185 CB PRO A 12 35.076 2.806 -1.720 1.00 0.00 C ATOM 186 CG PRO A 12 36.007 2.878 -0.548 1.00 0.00 C ATOM 187 CD PRO A 12 36.833 4.134 -0.686 1.00 0.00 C ATOM 0 HA PRO A 12 34.773 4.308 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 12 34.113 2.385 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.481 2.166 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 12 35.444 2.892 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.651 1.999 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.859 4.695 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.865 3.902 -0.948 1.00 0.00 H new ATOM 195 N ARG A 13 33.373 6.114 -2.003 1.00 0.00 N ATOM 196 CA ARG A 13 32.191 6.831 -1.432 1.00 0.00 C ATOM 197 C ARG A 13 30.897 6.072 -1.767 1.00 0.00 C ATOM 198 O ARG A 13 30.608 5.827 -2.924 1.00 0.00 O ATOM 199 CB ARG A 13 32.198 8.210 -2.100 1.00 0.00 C ATOM 200 CG ARG A 13 31.247 9.150 -1.353 1.00 0.00 C ATOM 201 CD ARG A 13 30.060 9.502 -2.255 1.00 0.00 C ATOM 202 NE ARG A 13 28.875 9.510 -1.351 1.00 0.00 N ATOM 203 CZ ARG A 13 28.448 10.634 -0.839 1.00 0.00 C ATOM 204 NH1 ARG A 13 27.782 11.478 -1.583 1.00 0.00 N ATOM 205 NH2 ARG A 13 28.688 10.911 0.416 1.00 0.00 N ATOM 0 H ARG A 13 33.880 6.626 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 13 32.240 6.908 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.208 8.621 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 13 31.893 8.121 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 13 30.893 8.674 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 13 31.774 10.057 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 13 30.200 10.473 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 13 29.941 8.770 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 13 28.396 8.636 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.596 11.259 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.448 12.356 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 13 29.208 10.250 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 13 28.356 11.788 0.817 1.00 0.00 H new ATOM 219 N PRO A 14 30.160 5.720 -0.737 1.00 0.00 N ATOM 220 CA PRO A 14 28.885 4.978 -0.925 1.00 0.00 C ATOM 221 C PRO A 14 27.812 5.890 -1.538 1.00 0.00 C ATOM 222 O PRO A 14 27.807 7.083 -1.298 1.00 0.00 O ATOM 223 CB PRO A 14 28.501 4.560 0.493 1.00 0.00 C ATOM 224 CG PRO A 14 29.176 5.554 1.383 1.00 0.00 C ATOM 225 CD PRO A 14 30.439 5.977 0.683 1.00 0.00 C ATOM 0 HA PRO A 14 28.981 4.130 -1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 14 27.420 4.577 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 14 28.834 3.545 0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.529 6.412 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 14 29.401 5.113 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 14 30.662 7.029 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 14 31.299 5.405 1.031 1.00 0.00 H new ATOM 233 N PRO A 15 26.934 5.295 -2.311 1.00 0.00 N ATOM 234 CA PRO A 15 25.843 6.066 -2.964 1.00 0.00 C ATOM 235 C PRO A 15 24.788 6.501 -1.933 1.00 0.00 C ATOM 236 O PRO A 15 24.706 5.938 -0.857 1.00 0.00 O ATOM 237 CB PRO A 15 25.252 5.072 -3.963 1.00 0.00 C ATOM 238 CG PRO A 15 25.583 3.723 -3.409 1.00 0.00 C ATOM 239 CD PRO A 15 26.874 3.865 -2.647 1.00 0.00 C ATOM 0 HA PRO A 15 26.194 6.984 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 15 24.175 5.205 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 15 25.682 5.207 -4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 15 24.786 3.368 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 15 25.687 2.992 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 15 26.879 3.244 -1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 15 27.729 3.561 -3.251 1.00 0.00 H new ATOM 247 N PRO A 16 24.013 7.495 -2.302 1.00 0.00 N ATOM 248 CA PRO A 16 22.951 8.012 -1.403 1.00 0.00 C ATOM 249 C PRO A 16 21.744 7.060 -1.381 1.00 0.00 C ATOM 250 O PRO A 16 21.781 5.979 -1.940 1.00 0.00 O ATOM 251 CB PRO A 16 22.575 9.354 -2.028 1.00 0.00 C ATOM 252 CG PRO A 16 22.943 9.234 -3.473 1.00 0.00 C ATOM 253 CD PRO A 16 24.057 8.224 -3.577 1.00 0.00 C ATOM 0 HA PRO A 16 23.278 8.104 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 16 21.511 9.559 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.113 10.174 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.083 8.917 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.262 10.198 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.907 7.553 -4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.021 8.710 -3.723 1.00 0.00 H new ATOM 261 N PHE A 17 20.677 7.460 -0.735 1.00 0.00 N ATOM 262 CA PHE A 17 19.461 6.590 -0.665 1.00 0.00 C ATOM 263 C PHE A 17 18.820 6.446 -2.051 1.00 0.00 C ATOM 264 O PHE A 17 18.875 7.343 -2.872 1.00 0.00 O ATOM 265 CB PHE A 17 18.509 7.309 0.299 1.00 0.00 C ATOM 266 CG PHE A 17 17.182 6.583 0.346 1.00 0.00 C ATOM 267 CD1 PHE A 17 17.062 5.386 1.062 1.00 0.00 C ATOM 268 CD2 PHE A 17 16.074 7.108 -0.330 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.834 4.715 1.102 1.00 0.00 C ATOM 270 CE2 PHE A 17 14.846 6.437 -0.290 1.00 0.00 C ATOM 271 CZ PHE A 17 14.726 5.240 0.426 1.00 0.00 C ATOM 0 H PHE A 17 20.595 8.354 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 17 19.699 5.582 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.948 7.348 1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.359 8.339 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 17 17.916 4.980 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.167 8.031 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.741 3.792 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.992 6.843 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.779 4.722 0.457 1.00 0.00 H new ATOM 281 N VAL A 18 18.207 5.318 -2.305 1.00 0.00 N ATOM 282 CA VAL A 18 17.549 5.091 -3.627 1.00 0.00 C ATOM 283 C VAL A 18 16.073 4.726 -3.422 1.00 0.00 C ATOM 284 O VAL A 18 15.715 4.063 -2.465 1.00 0.00 O ATOM 285 CB VAL A 18 18.312 3.922 -4.263 1.00 0.00 C ATOM 286 CG1 VAL A 18 17.719 3.606 -5.639 1.00 0.00 C ATOM 287 CG2 VAL A 18 19.789 4.296 -4.425 1.00 0.00 C ATOM 0 H VAL A 18 18.134 4.540 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 18 17.574 5.979 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 18 18.225 3.047 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.263 2.775 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 18 16.669 3.335 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.802 4.483 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.328 3.463 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.874 5.174 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.218 4.518 -3.448 1.00 0.00 H new ATOM 297 N ARG A 19 15.217 5.152 -4.317 1.00 0.00 N ATOM 298 CA ARG A 19 13.760 4.834 -4.185 1.00 0.00 C ATOM 299 C ARG A 19 13.531 3.323 -4.352 1.00 0.00 C ATOM 300 O ARG A 19 13.789 2.773 -5.407 1.00 0.00 O ATOM 301 CB ARG A 19 13.078 5.611 -5.316 1.00 0.00 C ATOM 302 CG ARG A 19 11.558 5.528 -5.156 1.00 0.00 C ATOM 303 CD ARG A 19 10.882 5.922 -6.473 1.00 0.00 C ATOM 304 NE ARG A 19 9.523 6.395 -6.086 1.00 0.00 N ATOM 305 CZ ARG A 19 8.477 6.008 -6.766 1.00 0.00 C ATOM 306 NH1 ARG A 19 7.869 4.896 -6.448 1.00 0.00 N ATOM 307 NH2 ARG A 19 8.042 6.734 -7.764 1.00 0.00 N ATOM 0 H ARG A 19 15.464 5.708 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 19 13.364 5.109 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 19 13.399 6.653 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.375 5.202 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.266 4.516 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.230 6.190 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.441 6.706 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.825 5.074 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 19 9.409 7.022 -5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.211 4.332 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.052 4.592 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.520 7.601 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.225 6.433 -8.296 1.00 0.00 H new ATOM 321 N PRO A 20 13.050 2.698 -3.300 1.00 0.00 N ATOM 322 CA PRO A 20 12.785 1.236 -3.334 1.00 0.00 C ATOM 323 C PRO A 20 11.549 0.926 -4.190 1.00 0.00 C ATOM 324 O PRO A 20 10.897 1.816 -4.705 1.00 0.00 O ATOM 325 CB PRO A 20 12.533 0.882 -1.871 1.00 0.00 C ATOM 326 CG PRO A 20 12.066 2.153 -1.240 1.00 0.00 C ATOM 327 CD PRO A 20 12.713 3.284 -1.995 1.00 0.00 C ATOM 0 HA PRO A 20 13.605 0.667 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.783 0.097 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.440 0.514 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.980 2.230 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.343 2.185 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.035 4.131 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.602 3.649 -1.481 1.00 0.00 H new ATOM 335 N LEU A 21 11.227 -0.333 -4.337 1.00 0.00 N ATOM 336 CA LEU A 21 10.036 -0.719 -5.152 1.00 0.00 C ATOM 337 C LEU A 21 9.206 -1.775 -4.407 1.00 0.00 C ATOM 338 O LEU A 21 9.560 -2.940 -4.387 1.00 0.00 O ATOM 339 CB LEU A 21 10.610 -1.294 -6.451 1.00 0.00 C ATOM 340 CG LEU A 21 9.826 -0.746 -7.646 1.00 0.00 C ATOM 341 CD1 LEU A 21 10.514 0.515 -8.176 1.00 0.00 C ATOM 342 CD2 LEU A 21 9.779 -1.802 -8.753 1.00 0.00 C ATOM 0 H LEU A 21 11.739 -1.113 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 21 9.373 0.125 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.664 -1.030 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.554 -2.382 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 21 8.811 -0.501 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.955 0.904 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.549 1.269 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.529 0.271 -8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.221 -1.412 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.794 -2.046 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.289 -2.700 -8.378 1.00 0.00 H new ATOM 354 N PRO A 22 8.122 -1.331 -3.812 1.00 0.00 N ATOM 355 CA PRO A 22 7.233 -2.253 -3.057 1.00 0.00 C ATOM 356 C PRO A 22 6.438 -3.146 -4.021 1.00 0.00 C ATOM 357 O PRO A 22 5.954 -2.694 -5.042 1.00 0.00 O ATOM 358 CB PRO A 22 6.306 -1.311 -2.292 1.00 0.00 C ATOM 359 CG PRO A 22 6.297 -0.043 -3.085 1.00 0.00 C ATOM 360 CD PRO A 22 7.628 0.054 -3.785 1.00 0.00 C ATOM 0 HA PRO A 22 7.778 -2.931 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.303 -1.729 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.668 -1.139 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.481 -0.047 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.141 0.817 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.520 0.458 -4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.313 0.711 -3.249 1.00 0.00 H new ATOM 368 N GLY A 23 6.306 -4.411 -3.703 1.00 0.00 N ATOM 369 CA GLY A 23 5.548 -5.340 -4.595 1.00 0.00 C ATOM 370 C GLY A 23 4.105 -5.471 -4.100 1.00 0.00 C ATOM 371 O GLY A 23 3.170 -5.125 -4.796 1.00 0.00 O ATOM 0 H GLY A 23 6.692 -4.840 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.559 -4.966 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.028 -6.319 -4.608 1.00 0.00 H new ATOM 375 N GLY A 24 3.919 -5.970 -2.902 1.00 0.00 N ATOM 376 CA GLY A 24 2.537 -6.129 -2.357 1.00 0.00 C ATOM 377 C GLY A 24 1.988 -7.514 -2.723 1.00 0.00 C ATOM 378 O GLY A 24 2.570 -8.219 -3.527 1.00 0.00 O ATOM 0 H GLY A 24 4.667 -6.274 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.547 -6.007 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.886 -5.352 -2.759 1.00 0.00 H new ATOM 382 N PRO A 25 0.875 -7.859 -2.118 1.00 0.00 N ATOM 383 CA PRO A 25 0.232 -9.175 -2.384 1.00 0.00 C ATOM 384 C PRO A 25 -0.376 -9.210 -3.794 1.00 0.00 C ATOM 385 O PRO A 25 -0.758 -8.191 -4.341 1.00 0.00 O ATOM 386 CB PRO A 25 -0.856 -9.263 -1.315 1.00 0.00 C ATOM 387 CG PRO A 25 -1.158 -7.844 -0.954 1.00 0.00 C ATOM 388 CD PRO A 25 0.117 -7.066 -1.140 1.00 0.00 C ATOM 0 HA PRO A 25 0.933 -10.009 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.742 -9.771 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.513 -9.827 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.950 -7.444 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.507 -7.773 0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.079 -6.059 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.662 -6.962 -0.202 1.00 0.00 H new ATOM 396 N ILE A 26 -0.465 -10.377 -4.384 1.00 0.00 N ATOM 397 CA ILE A 26 -1.043 -10.487 -5.757 1.00 0.00 C ATOM 398 C ILE A 26 -2.571 -10.597 -5.684 1.00 0.00 C ATOM 399 O ILE A 26 -3.125 -11.077 -4.713 1.00 0.00 O ATOM 400 CB ILE A 26 -0.429 -11.762 -6.355 1.00 0.00 C ATOM 401 CG1 ILE A 26 1.028 -11.493 -6.753 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.219 -12.202 -7.593 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.092 -10.375 -7.801 1.00 0.00 C ATOM 0 H ILE A 26 -0.161 -11.259 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.821 -9.612 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.467 -12.554 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.607 -11.211 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.478 -12.402 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.773 -13.107 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.253 -12.403 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.193 -11.410 -8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.131 -10.193 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.530 -10.673 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.661 -9.463 -7.387 1.00 0.00 H new ATOM 415 N GLY A 27 -3.244 -10.157 -6.717 1.00 0.00 N ATOM 416 CA GLY A 27 -4.738 -10.224 -6.744 1.00 0.00 C ATOM 417 C GLY A 27 -5.324 -9.376 -5.608 1.00 0.00 C ATOM 418 O GLY A 27 -5.821 -9.909 -4.635 1.00 0.00 O ATOM 0 H GLY A 27 -2.819 -9.751 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.109 -9.866 -7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.065 -11.259 -6.642 1.00 0.00 H new ATOM 422 N PRO A 28 -5.249 -8.075 -5.772 1.00 0.00 N ATOM 423 CA PRO A 28 -5.781 -7.145 -4.744 1.00 0.00 C ATOM 424 C PRO A 28 -7.313 -7.036 -4.839 1.00 0.00 C ATOM 425 O PRO A 28 -7.991 -6.885 -3.839 1.00 0.00 O ATOM 426 CB PRO A 28 -5.115 -5.816 -5.087 1.00 0.00 C ATOM 427 CG PRO A 28 -4.782 -5.898 -6.546 1.00 0.00 C ATOM 428 CD PRO A 28 -4.667 -7.358 -6.914 1.00 0.00 C ATOM 0 HA PRO A 28 -5.572 -7.473 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.783 -4.979 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.218 -5.661 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.556 -5.414 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.847 -5.377 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.205 -7.578 -7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.628 -7.646 -7.075 1.00 0.00 H new ATOM 436 N TYR A 29 -7.861 -7.107 -6.030 1.00 0.00 N ATOM 437 CA TYR A 29 -9.343 -7.005 -6.186 1.00 0.00 C ATOM 438 C TYR A 29 -9.998 -8.369 -5.923 1.00 0.00 C ATOM 439 O TYR A 29 -10.535 -8.995 -6.818 1.00 0.00 O ATOM 440 CB TYR A 29 -9.562 -6.570 -7.639 1.00 0.00 C ATOM 441 CG TYR A 29 -10.820 -5.740 -7.734 1.00 0.00 C ATOM 442 CD1 TYR A 29 -12.053 -6.362 -7.958 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.750 -4.347 -7.609 1.00 0.00 C ATOM 444 CE1 TYR A 29 -13.218 -5.594 -8.052 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.914 -3.577 -7.705 1.00 0.00 C ATOM 446 CZ TYR A 29 -13.150 -4.200 -7.925 1.00 0.00 C ATOM 447 OH TYR A 29 -14.299 -3.443 -8.017 1.00 0.00 O ATOM 0 H TYR A 29 -7.343 -7.231 -6.900 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.786 -6.301 -5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.706 -5.993 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.642 -7.445 -8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -12.105 -7.436 -8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.798 -3.867 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.170 -6.075 -8.222 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.860 -2.503 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.823 -3.543 -7.195 1.00 0.00 H new ATOM 457 N ASN A 30 -9.953 -8.835 -4.700 1.00 0.00 N ATOM 458 CA ASN A 30 -10.567 -10.158 -4.377 1.00 0.00 C ATOM 459 C ASN A 30 -11.440 -10.057 -3.118 1.00 0.00 C ATOM 460 O ASN A 30 -11.437 -10.937 -2.277 1.00 0.00 O ATOM 461 CB ASN A 30 -9.380 -11.100 -4.145 1.00 0.00 C ATOM 462 CG ASN A 30 -9.000 -11.779 -5.463 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.460 -12.864 -5.755 1.00 0.00 O ATOM 464 ND2 ASN A 30 -8.174 -11.183 -6.279 1.00 0.00 N ATOM 0 H ASN A 30 -9.518 -8.356 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.219 -10.514 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.530 -10.541 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.639 -11.851 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.916 -11.629 -7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.786 -10.271 -6.036 1.00 0.00 H new ATOM 471 N GLY A 31 -12.194 -8.993 -2.985 1.00 0.00 N ATOM 472 CA GLY A 31 -13.067 -8.843 -1.785 1.00 0.00 C ATOM 473 C GLY A 31 -13.678 -7.437 -1.735 1.00 0.00 C ATOM 474 O GLY A 31 -13.673 -6.797 -0.702 1.00 0.00 O ATOM 0 H GLY A 31 -12.241 -8.225 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.861 -9.590 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.486 -9.026 -0.881 1.00 0.00 H new ATOM 478 N CYS A 32 -14.215 -6.957 -2.834 1.00 0.00 N ATOM 479 CA CYS A 32 -14.840 -5.593 -2.846 1.00 0.00 C ATOM 480 C CYS A 32 -15.475 -5.309 -4.218 1.00 0.00 C ATOM 481 O CYS A 32 -14.907 -4.603 -5.032 1.00 0.00 O ATOM 482 CB CYS A 32 -13.699 -4.609 -2.568 1.00 0.00 C ATOM 483 SG CYS A 32 -14.366 -2.928 -2.498 1.00 0.00 S ATOM 0 H CYS A 32 -14.247 -7.452 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.632 -5.506 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -13.209 -4.858 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.943 -4.681 -3.350 1.00 0.00 H new ATOM 488 N PRO A 33 -16.643 -5.873 -4.426 1.00 0.00 N ATOM 489 CA PRO A 33 -17.375 -5.677 -5.710 1.00 0.00 C ATOM 490 C PRO A 33 -17.852 -4.222 -5.855 1.00 0.00 C ATOM 491 O PRO A 33 -18.108 -3.542 -4.879 1.00 0.00 O ATOM 492 CB PRO A 33 -18.560 -6.635 -5.592 1.00 0.00 C ATOM 493 CG PRO A 33 -18.754 -6.820 -4.121 1.00 0.00 C ATOM 494 CD PRO A 33 -17.386 -6.740 -3.502 1.00 0.00 C ATOM 0 HA PRO A 33 -16.757 -5.872 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.453 -6.220 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.353 -7.584 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.410 -6.050 -3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.222 -7.781 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.424 -6.318 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.926 -7.724 -3.417 1.00 0.00 H new ATOM 502 N VAL A 34 -17.970 -3.746 -7.073 1.00 0.00 N ATOM 503 CA VAL A 34 -18.429 -2.335 -7.301 1.00 0.00 C ATOM 504 C VAL A 34 -19.860 -2.131 -6.776 1.00 0.00 C ATOM 505 O VAL A 34 -20.217 -1.050 -6.346 1.00 0.00 O ATOM 506 CB VAL A 34 -18.388 -2.137 -8.824 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.998 -0.780 -9.187 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.937 -2.180 -9.312 1.00 0.00 C ATOM 0 H VAL A 34 -17.768 -4.274 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.798 -1.619 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.959 -2.934 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.967 -0.644 -10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.033 -0.744 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.429 0.015 -8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.912 -2.039 -10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.367 -1.386 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.497 -3.146 -9.062 1.00 0.00 H new ATOM 518 N SER A 35 -20.677 -3.158 -6.814 1.00 0.00 N ATOM 519 CA SER A 35 -22.088 -3.027 -6.325 1.00 0.00 C ATOM 520 C SER A 35 -22.142 -2.848 -4.798 1.00 0.00 C ATOM 521 O SER A 35 -23.178 -2.511 -4.255 1.00 0.00 O ATOM 522 CB SER A 35 -22.773 -4.334 -6.733 1.00 0.00 C ATOM 523 OG SER A 35 -24.144 -4.079 -7.020 1.00 0.00 O ATOM 0 H SER A 35 -20.427 -4.083 -7.163 1.00 0.00 H new ATOM 0 HA SER A 35 -22.576 -2.150 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.280 -4.759 -7.607 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.688 -5.068 -5.931 1.00 0.00 H new ATOM 0 HG SER A 35 -24.584 -4.914 -7.283 1.00 0.00 H new ATOM 529 N CYS A 36 -21.045 -3.078 -4.103 1.00 0.00 N ATOM 530 CA CYS A 36 -21.033 -2.931 -2.609 1.00 0.00 C ATOM 531 C CYS A 36 -22.017 -3.916 -1.962 1.00 0.00 C ATOM 532 O CYS A 36 -22.541 -3.672 -0.889 1.00 0.00 O ATOM 533 CB CYS A 36 -21.437 -1.479 -2.327 1.00 0.00 C ATOM 534 SG CYS A 36 -20.234 -0.365 -3.091 1.00 0.00 S ATOM 0 H CYS A 36 -20.155 -3.362 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.052 -3.154 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.434 -1.283 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.481 -1.304 -1.252 1.00 0.00 H new ATOM 539 N ARG A 37 -22.267 -5.031 -2.607 1.00 0.00 N ATOM 540 CA ARG A 37 -23.211 -6.039 -2.038 1.00 0.00 C ATOM 541 C ARG A 37 -22.436 -7.256 -1.519 1.00 0.00 C ATOM 542 O ARG A 37 -21.422 -7.638 -2.074 1.00 0.00 O ATOM 543 CB ARG A 37 -24.124 -6.448 -3.201 1.00 0.00 C ATOM 544 CG ARG A 37 -24.809 -5.210 -3.792 1.00 0.00 C ATOM 545 CD ARG A 37 -25.923 -4.735 -2.854 1.00 0.00 C ATOM 546 NE ARG A 37 -27.139 -5.487 -3.279 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.228 -5.424 -2.564 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.404 -6.253 -1.569 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.141 -4.531 -2.845 1.00 0.00 N ATOM 0 H ARG A 37 -21.856 -5.285 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.779 -5.635 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.541 -6.953 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -24.875 -7.157 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.079 -4.414 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.223 -5.445 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -25.676 -4.942 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.076 -3.659 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.119 -6.051 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -27.690 -6.948 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.255 -6.204 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -29.001 -3.885 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.993 -4.480 -2.287 1.00 0.00 H new ATOM 563 N GLY A 38 -22.913 -7.869 -0.463 1.00 0.00 N ATOM 564 CA GLY A 38 -22.219 -9.068 0.098 1.00 0.00 C ATOM 565 C GLY A 38 -21.095 -8.647 1.058 1.00 0.00 C ATOM 566 O GLY A 38 -20.177 -9.406 1.307 1.00 0.00 O ATOM 0 H GLY A 38 -23.757 -7.588 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.937 -9.696 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.806 -9.667 -0.713 1.00 0.00 H new ATOM 570 N ILE A 39 -21.160 -7.455 1.608 1.00 0.00 N ATOM 571 CA ILE A 39 -20.094 -7.005 2.555 1.00 0.00 C ATOM 572 C ILE A 39 -20.716 -6.260 3.739 1.00 0.00 C ATOM 573 O ILE A 39 -21.793 -5.699 3.640 1.00 0.00 O ATOM 574 CB ILE A 39 -19.173 -6.069 1.755 1.00 0.00 C ATOM 575 CG1 ILE A 39 -19.954 -4.826 1.304 1.00 0.00 C ATOM 576 CG2 ILE A 39 -18.622 -6.807 0.530 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.075 -3.958 0.398 1.00 0.00 C ATOM 0 H ILE A 39 -21.904 -6.778 1.441 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.540 -7.852 2.960 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.344 -5.758 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -20.856 -5.126 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.274 -4.252 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.970 -6.140 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.055 -7.679 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.449 -7.128 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.635 -3.078 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.186 -3.645 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.777 -4.533 -0.479 1.00 0.00 H new ATOM 589 N SER A 40 -20.038 -6.247 4.854 1.00 0.00 N ATOM 590 CA SER A 40 -20.566 -5.535 6.052 1.00 0.00 C ATOM 591 C SER A 40 -20.420 -4.023 5.870 1.00 0.00 C ATOM 592 O SER A 40 -19.703 -3.559 5.001 1.00 0.00 O ATOM 593 CB SER A 40 -19.702 -6.014 7.219 1.00 0.00 C ATOM 594 OG SER A 40 -19.831 -7.421 7.357 1.00 0.00 O ATOM 0 H SER A 40 -19.135 -6.702 4.987 1.00 0.00 H new ATOM 0 HA SER A 40 -21.623 -5.741 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.659 -5.749 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.008 -5.518 8.140 1.00 0.00 H new ATOM 0 HG SER A 40 -18.951 -7.841 7.263 1.00 0.00 H new ATOM 600 N PHE A 41 -21.086 -3.255 6.691 1.00 0.00 N ATOM 601 CA PHE A 41 -20.985 -1.767 6.583 1.00 0.00 C ATOM 602 C PHE A 41 -19.529 -1.329 6.782 1.00 0.00 C ATOM 603 O PHE A 41 -18.991 -0.566 6.001 1.00 0.00 O ATOM 604 CB PHE A 41 -21.876 -1.228 7.707 1.00 0.00 C ATOM 605 CG PHE A 41 -21.910 0.282 7.661 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.647 0.939 6.667 1.00 0.00 C ATOM 607 CD2 PHE A 41 -21.204 1.025 8.614 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.676 2.338 6.627 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.234 2.423 8.574 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.969 3.080 7.581 1.00 0.00 C ATOM 0 H PHE A 41 -21.697 -3.593 7.434 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.298 -1.394 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.886 -1.626 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.498 -1.562 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.193 0.366 5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.636 0.519 9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.244 2.845 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.689 2.996 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.991 4.159 7.550 1.00 0.00 H new ATOM 620 N SER A 42 -18.889 -1.817 7.815 1.00 0.00 N ATOM 621 CA SER A 42 -17.461 -1.443 8.062 1.00 0.00 C ATOM 622 C SER A 42 -16.571 -1.992 6.942 1.00 0.00 C ATOM 623 O SER A 42 -15.595 -1.375 6.558 1.00 0.00 O ATOM 624 CB SER A 42 -17.096 -2.086 9.401 1.00 0.00 C ATOM 625 OG SER A 42 -16.075 -1.318 10.027 1.00 0.00 O ATOM 0 H SER A 42 -19.293 -2.458 8.498 1.00 0.00 H new ATOM 0 HA SER A 42 -17.320 -0.362 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.974 -2.138 10.044 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.754 -3.109 9.245 1.00 0.00 H new ATOM 0 HG SER A 42 -15.839 -1.726 10.886 1.00 0.00 H new ATOM 631 N GLN A 43 -16.909 -3.139 6.404 1.00 0.00 N ATOM 632 CA GLN A 43 -16.094 -3.719 5.295 1.00 0.00 C ATOM 633 C GLN A 43 -16.150 -2.790 4.079 1.00 0.00 C ATOM 634 O GLN A 43 -15.139 -2.479 3.475 1.00 0.00 O ATOM 635 CB GLN A 43 -16.758 -5.062 4.974 1.00 0.00 C ATOM 636 CG GLN A 43 -15.763 -6.200 5.197 1.00 0.00 C ATOM 637 CD GLN A 43 -16.518 -7.462 5.626 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.611 -7.758 6.801 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.068 -8.223 4.719 1.00 0.00 N ATOM 0 H GLN A 43 -17.715 -3.697 6.686 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.045 -3.841 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.635 -5.205 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.105 -5.068 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.203 -6.392 4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.038 -5.919 5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.992 -7.977 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.574 -9.064 4.997 1.00 0.00 H new ATOM 648 N ALA A 44 -17.331 -2.338 3.732 1.00 0.00 N ATOM 649 CA ALA A 44 -17.476 -1.416 2.564 1.00 0.00 C ATOM 650 C ALA A 44 -16.732 -0.103 2.838 1.00 0.00 C ATOM 651 O ALA A 44 -16.115 0.467 1.956 1.00 0.00 O ATOM 652 CB ALA A 44 -18.983 -1.179 2.434 1.00 0.00 C ATOM 0 H ALA A 44 -18.202 -2.569 4.209 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.055 -1.829 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.175 -0.509 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.487 -2.130 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.361 -0.729 3.352 1.00 0.00 H new ATOM 658 N ARG A 45 -16.774 0.367 4.063 1.00 0.00 N ATOM 659 CA ARG A 45 -16.057 1.629 4.415 1.00 0.00 C ATOM 660 C ARG A 45 -14.544 1.429 4.252 1.00 0.00 C ATOM 661 O ARG A 45 -13.840 2.294 3.764 1.00 0.00 O ATOM 662 CB ARG A 45 -16.401 1.890 5.884 1.00 0.00 C ATOM 663 CG ARG A 45 -17.709 2.678 5.974 1.00 0.00 C ATOM 664 CD ARG A 45 -18.006 3.004 7.440 1.00 0.00 C ATOM 665 NE ARG A 45 -18.015 4.494 7.515 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.978 5.110 8.147 1.00 0.00 C ATOM 667 NH1 ARG A 45 -19.168 4.886 9.422 1.00 0.00 N ATOM 668 NH2 ARG A 45 -19.749 5.947 7.504 1.00 0.00 N ATOM 0 H ARG A 45 -17.276 -0.072 4.834 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.348 2.462 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.497 0.945 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.596 2.447 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.633 3.598 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.526 2.098 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.965 2.588 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.248 2.581 8.099 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.269 5.032 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.565 4.232 9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.919 5.366 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.598 6.118 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.501 6.429 7.996 1.00 0.00 H new ATOM 682 N SER A 46 -14.049 0.285 4.662 1.00 0.00 N ATOM 683 CA SER A 46 -12.586 -0.004 4.546 1.00 0.00 C ATOM 684 C SER A 46 -12.137 0.013 3.077 1.00 0.00 C ATOM 685 O SER A 46 -11.103 0.565 2.751 1.00 0.00 O ATOM 686 CB SER A 46 -12.408 -1.403 5.140 1.00 0.00 C ATOM 687 OG SER A 46 -11.100 -1.521 5.688 1.00 0.00 O ATOM 0 H SER A 46 -14.602 -0.466 5.075 1.00 0.00 H new ATOM 0 HA SER A 46 -11.986 0.744 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.156 -1.579 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.561 -2.159 4.370 1.00 0.00 H new ATOM 0 HG SER A 46 -11.143 -2.015 6.533 1.00 0.00 H new ATOM 693 N CYS A 47 -12.898 -0.591 2.191 1.00 0.00 N ATOM 694 CA CYS A 47 -12.496 -0.610 0.748 1.00 0.00 C ATOM 695 C CYS A 47 -12.548 0.797 0.140 1.00 0.00 C ATOM 696 O CYS A 47 -11.779 1.115 -0.748 1.00 0.00 O ATOM 697 CB CYS A 47 -13.489 -1.534 0.040 1.00 0.00 C ATOM 698 SG CYS A 47 -12.892 -1.853 -1.638 1.00 0.00 S ATOM 0 H CYS A 47 -13.774 -1.068 2.404 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.470 -0.962 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.591 -2.470 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.477 -1.074 0.008 1.00 0.00 H new ATOM 703 N CYS A 48 -13.436 1.645 0.603 1.00 0.00 N ATOM 704 CA CYS A 48 -13.504 3.031 0.035 1.00 0.00 C ATOM 705 C CYS A 48 -12.155 3.735 0.217 1.00 0.00 C ATOM 706 O CYS A 48 -11.667 4.398 -0.675 1.00 0.00 O ATOM 707 CB CYS A 48 -14.592 3.751 0.829 1.00 0.00 C ATOM 708 SG CYS A 48 -14.583 5.517 0.421 1.00 0.00 S ATOM 0 H CYS A 48 -14.110 1.442 1.341 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.728 3.024 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.567 3.321 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.426 3.614 1.898 1.00 0.00 H new ATOM 713 N SER A 49 -11.548 3.586 1.366 1.00 0.00 N ATOM 714 CA SER A 49 -10.226 4.238 1.606 1.00 0.00 C ATOM 715 C SER A 49 -9.084 3.365 1.065 1.00 0.00 C ATOM 716 O SER A 49 -8.002 3.850 0.796 1.00 0.00 O ATOM 717 CB SER A 49 -10.119 4.381 3.125 1.00 0.00 C ATOM 718 OG SER A 49 -9.007 5.209 3.441 1.00 0.00 O ATOM 0 H SER A 49 -11.911 3.041 2.148 1.00 0.00 H new ATOM 0 HA SER A 49 -10.150 5.200 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.035 4.814 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.000 3.401 3.587 1.00 0.00 H new ATOM 0 HG SER A 49 -8.936 5.304 4.414 1.00 0.00 H new ATOM 724 N ARG A 50 -9.313 2.084 0.907 1.00 0.00 N ATOM 725 CA ARG A 50 -8.235 1.185 0.390 1.00 0.00 C ATOM 726 C ARG A 50 -8.133 1.271 -1.139 1.00 0.00 C ATOM 727 O ARG A 50 -7.054 1.186 -1.695 1.00 0.00 O ATOM 728 CB ARG A 50 -8.643 -0.229 0.818 1.00 0.00 C ATOM 729 CG ARG A 50 -7.570 -0.818 1.739 1.00 0.00 C ATOM 730 CD ARG A 50 -8.109 -0.906 3.171 1.00 0.00 C ATOM 731 NE ARG A 50 -8.533 -2.325 3.339 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.086 -3.026 4.345 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.927 -3.625 4.258 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.798 -3.126 5.437 1.00 0.00 N ATOM 0 H ARG A 50 -10.199 1.623 1.114 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.259 1.467 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.603 -0.201 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.771 -0.863 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.280 -1.808 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.675 -0.196 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.343 -0.634 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.946 -0.224 3.320 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.173 -2.749 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.374 -3.544 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.576 -4.173 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.701 -2.657 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.450 -3.673 6.224 1.00 0.00 H new ATOM 748 N LEU A 51 -9.242 1.422 -1.826 1.00 0.00 N ATOM 749 CA LEU A 51 -9.189 1.493 -3.321 1.00 0.00 C ATOM 750 C LEU A 51 -10.236 2.465 -3.888 1.00 0.00 C ATOM 751 O LEU A 51 -10.565 2.405 -5.059 1.00 0.00 O ATOM 752 CB LEU A 51 -9.491 0.065 -3.783 1.00 0.00 C ATOM 753 CG LEU A 51 -8.215 -0.579 -4.328 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.255 -2.087 -4.077 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.112 -0.316 -5.833 1.00 0.00 C ATOM 0 H LEU A 51 -10.174 1.499 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.223 1.861 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.880 -0.522 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.262 0.077 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.349 -0.150 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.345 -2.545 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.327 -2.276 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.121 -2.517 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.203 -0.775 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.978 -0.744 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.082 0.759 -6.013 1.00 0.00 H new ATOM 767 N GLY A 52 -10.765 3.354 -3.082 1.00 0.00 N ATOM 768 CA GLY A 52 -11.792 4.313 -3.597 1.00 0.00 C ATOM 769 C GLY A 52 -13.016 3.537 -4.103 1.00 0.00 C ATOM 770 O GLY A 52 -13.679 3.950 -5.036 1.00 0.00 O ATOM 0 H GLY A 52 -10.531 3.457 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.088 5.003 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.371 4.913 -4.403 1.00 0.00 H new ATOM 774 N ARG A 53 -13.311 2.409 -3.500 1.00 0.00 N ATOM 775 CA ARG A 53 -14.482 1.599 -3.951 1.00 0.00 C ATOM 776 C ARG A 53 -15.523 1.485 -2.834 1.00 0.00 C ATOM 777 O ARG A 53 -15.189 1.292 -1.682 1.00 0.00 O ATOM 778 CB ARG A 53 -13.908 0.222 -4.285 1.00 0.00 C ATOM 779 CG ARG A 53 -13.304 0.243 -5.695 1.00 0.00 C ATOM 780 CD ARG A 53 -14.324 -0.290 -6.709 1.00 0.00 C ATOM 781 NE ARG A 53 -15.368 0.771 -6.813 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.344 1.624 -7.803 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.884 1.305 -8.950 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.783 2.795 -7.645 1.00 0.00 N ATOM 0 H ARG A 53 -12.790 2.017 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.985 2.053 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.145 -0.051 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.691 -0.534 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.012 1.259 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.400 -0.365 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.856 -0.478 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.755 -1.234 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.103 0.831 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.323 0.392 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.867 1.969 -9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.364 3.043 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.765 3.460 -8.418 1.00 0.00 H new ATOM 798 N CYS A 54 -16.781 1.617 -3.182 1.00 0.00 N ATOM 799 CA CYS A 54 -17.889 1.534 -2.172 1.00 0.00 C ATOM 800 C CYS A 54 -17.765 2.693 -1.183 1.00 0.00 C ATOM 801 O CYS A 54 -17.745 2.511 0.020 1.00 0.00 O ATOM 802 CB CYS A 54 -17.735 0.175 -1.475 1.00 0.00 C ATOM 803 SG CYS A 54 -18.444 -1.114 -2.527 1.00 0.00 S ATOM 0 H CYS A 54 -17.094 1.782 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.875 1.611 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.682 -0.032 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.237 0.189 -0.508 1.00 0.00 H new ATOM 808 N CYS A 55 -17.678 3.886 -1.702 1.00 0.00 N ATOM 809 CA CYS A 55 -17.544 5.089 -0.836 1.00 0.00 C ATOM 810 C CYS A 55 -18.919 5.694 -0.505 1.00 0.00 C ATOM 811 O CYS A 55 -19.062 6.421 0.459 1.00 0.00 O ATOM 812 CB CYS A 55 -16.704 6.058 -1.668 1.00 0.00 C ATOM 813 SG CYS A 55 -14.960 5.583 -1.563 1.00 0.00 S ATOM 0 H CYS A 55 -17.694 4.080 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.085 4.858 0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.034 6.044 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.838 7.077 -1.305 1.00 0.00 H new ATOM 818 N HIS A 56 -19.932 5.395 -1.288 1.00 0.00 N ATOM 819 CA HIS A 56 -21.290 5.948 -1.008 1.00 0.00 C ATOM 820 C HIS A 56 -22.244 4.816 -0.598 1.00 0.00 C ATOM 821 O HIS A 56 -23.385 4.762 -1.024 1.00 0.00 O ATOM 822 CB HIS A 56 -21.735 6.592 -2.325 1.00 0.00 C ATOM 823 CG HIS A 56 -22.625 7.770 -2.032 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.184 8.867 -1.309 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.932 8.035 -2.357 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.210 9.734 -1.223 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.299 9.276 -1.845 1.00 0.00 N ATOM 0 H HIS A 56 -19.872 4.791 -2.108 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.288 6.668 -0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.865 6.914 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.267 5.864 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.577 7.380 -2.924 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.159 10.685 -0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.205 9.737 -1.927 1.00 0.00 H new ATOM 835 N VAL A 57 -21.778 3.913 0.229 1.00 0.00 N ATOM 836 CA VAL A 57 -22.641 2.776 0.680 1.00 0.00 C ATOM 837 C VAL A 57 -23.727 3.283 1.640 1.00 0.00 C ATOM 838 O VAL A 57 -23.438 3.919 2.637 1.00 0.00 O ATOM 839 CB VAL A 57 -21.693 1.809 1.403 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.496 0.670 2.038 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.694 1.222 0.402 1.00 0.00 C ATOM 0 H VAL A 57 -20.833 3.914 0.613 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.152 2.294 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.157 2.353 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.817 -0.013 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.206 1.081 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.037 0.129 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.022 0.536 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.233 0.684 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.114 2.028 -0.048 1.00 0.00 H new ATOM 851 N GLY A 58 -24.972 3.002 1.344 1.00 0.00 N ATOM 852 CA GLY A 58 -26.081 3.460 2.233 1.00 0.00 C ATOM 853 C GLY A 58 -26.582 4.832 1.769 1.00 0.00 C ATOM 854 O GLY A 58 -25.817 5.770 1.638 1.00 0.00 O ATOM 0 H GLY A 58 -25.267 2.474 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.898 2.738 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.733 3.519 3.264 1.00 0.00 H new ATOM 858 N LYS A 59 -27.865 4.951 1.519 1.00 0.00 N ATOM 859 CA LYS A 59 -28.433 6.257 1.063 1.00 0.00 C ATOM 860 C LYS A 59 -29.951 6.287 1.291 1.00 0.00 C ATOM 861 O LYS A 59 -30.634 5.296 1.104 1.00 0.00 O ATOM 862 CB LYS A 59 -28.114 6.328 -0.434 1.00 0.00 C ATOM 863 CG LYS A 59 -28.361 7.750 -0.948 1.00 0.00 C ATOM 864 CD LYS A 59 -29.257 7.701 -2.190 1.00 0.00 C ATOM 865 CE LYS A 59 -28.459 7.162 -3.384 1.00 0.00 C ATOM 866 NZ LYS A 59 -27.777 8.352 -3.972 1.00 0.00 N ATOM 0 H LYS A 59 -28.544 4.196 1.612 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.014 7.101 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.076 6.043 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -28.735 5.620 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.833 8.351 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.413 8.229 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -30.122 7.065 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.638 8.697 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.735 6.411 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -29.115 6.685 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.953 8.042 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -28.439 8.860 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.463 8.985 -3.209 1.00 0.00 H new ATOM 880 N GLY A 60 -30.481 7.419 1.690 1.00 0.00 N ATOM 881 CA GLY A 60 -31.954 7.523 1.929 1.00 0.00 C ATOM 882 C GLY A 60 -32.323 6.817 3.238 1.00 0.00 C ATOM 883 O GLY A 60 -31.469 6.326 3.954 1.00 0.00 O ATOM 0 H GLY A 60 -29.955 8.276 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -32.250 8.571 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -32.498 7.074 1.098 1.00 0.00 H new ATOM 887 N TYR A 61 -33.593 6.761 3.556 1.00 0.00 N ATOM 888 CA TYR A 61 -34.023 6.085 4.817 1.00 0.00 C ATOM 889 C TYR A 61 -33.968 4.562 4.648 1.00 0.00 C ATOM 890 O TYR A 61 -34.111 4.043 3.555 1.00 0.00 O ATOM 891 CB TYR A 61 -35.464 6.550 5.058 1.00 0.00 C ATOM 892 CG TYR A 61 -36.046 5.805 6.238 1.00 0.00 C ATOM 893 CD1 TYR A 61 -35.676 6.158 7.541 1.00 0.00 C ATOM 894 CD2 TYR A 61 -36.950 4.756 6.026 1.00 0.00 C ATOM 895 CE1 TYR A 61 -36.210 5.463 8.632 1.00 0.00 C ATOM 896 CE2 TYR A 61 -37.483 4.061 7.117 1.00 0.00 C ATOM 897 CZ TYR A 61 -37.112 4.414 8.420 1.00 0.00 C ATOM 898 OH TYR A 61 -37.638 3.731 9.497 1.00 0.00 O ATOM 0 H TYR A 61 -34.350 7.154 2.996 1.00 0.00 H new ATOM 0 HA TYR A 61 -33.374 6.335 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -35.484 7.623 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -36.068 6.372 4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -34.979 6.966 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -37.235 4.484 5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -35.926 5.736 9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -38.180 3.253 6.954 1.00 0.00 H new ATOM 0 HH TYR A 61 -37.380 2.787 9.444 1.00 0.00 H new ATOM 908 N SER A 62 -33.764 3.848 5.725 1.00 0.00 N ATOM 909 CA SER A 62 -33.699 2.359 5.648 1.00 0.00 C ATOM 910 C SER A 62 -34.335 1.733 6.893 1.00 0.00 C ATOM 911 O SER A 62 -34.393 2.341 7.947 1.00 0.00 O ATOM 912 CB SER A 62 -32.209 2.012 5.575 1.00 0.00 C ATOM 913 OG SER A 62 -31.458 2.942 6.349 1.00 0.00 O ATOM 0 H SER A 62 -33.639 4.236 6.660 1.00 0.00 H new ATOM 0 HA SER A 62 -34.243 1.976 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 62 -32.043 1.000 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.872 2.032 4.539 1.00 0.00 H new ATOM 0 HG SER A 62 -30.506 2.715 6.300 1.00 0.00 H new ATOM 919 N GLY A 63 -34.812 0.519 6.775 1.00 0.00 N ATOM 920 CA GLY A 63 -35.448 -0.163 7.941 1.00 0.00 C ATOM 921 C GLY A 63 -36.769 0.530 8.286 1.00 0.00 C ATOM 922 O GLY A 63 -37.656 0.527 7.448 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.871 1.054 9.383 1.00 0.00 O ATOM 0 H GLY A 63 -34.787 -0.031 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -35.627 -1.213 7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -34.777 -0.137 8.800 1.00 0.00 H new TER 927 GLY A 63