USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 82 CYS SG : rot -99:sc= -2.48! USER MOD Set 1.2: A 93 SER OG : rot 53:sc= -1.8 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 11 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.9!) USER MOD Single : A 13 SER OG : rot 50:sc= 0.524 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -7.54! C(o=-7.5!,f=-17!) USER MOD Single : A 19 TYR OH : rot 85:sc= -3.33! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -94:sc= 1.18 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.739 K(o=-0.74,f=-0.14) USER MOD Single : A 30 ASN : amide:sc=-0.00921 X(o=-0.0092,f=0.29) USER MOD Single : A 31 THR OG1 : rot -170:sc= 0.117 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0115) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -82:sc= 0.15! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.857 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.1!) USER MOD Single : A 84 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.1) USER MOD Single : A 85 ASN : amide:sc= -2.65! C(o=-2.6!,f=-3.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -60:sc= 1.17 USER MOD Single : A 104 HIS : no HD1:sc= 0.562 K(o=0.56,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 0.132 -4.207 -4.156 1.00 0.00 N ATOM 32 CA LEU A 9 -0.878 -5.136 -3.676 1.00 0.00 C ATOM 33 C LEU A 9 -0.287 -5.987 -2.551 1.00 0.00 C ATOM 34 O LEU A 9 -0.957 -6.259 -1.556 1.00 0.00 O ATOM 35 CB LEU A 9 -1.445 -5.957 -4.836 1.00 0.00 C ATOM 36 CG LEU A 9 -1.749 -5.183 -6.120 1.00 0.00 C ATOM 37 CD1 LEU A 9 -2.672 -5.986 -7.039 1.00 0.00 C ATOM 38 CD2 LEU A 9 -2.318 -3.798 -5.804 1.00 0.00 C ATOM 0 HA LEU A 9 -1.725 -4.595 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.737 -6.751 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.363 -6.438 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.813 -5.031 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.872 -5.413 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.192 -6.928 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.611 -6.190 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.525 -3.269 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.241 -3.905 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.594 -3.232 -5.218 1.00 0.00 H new ATOM 50 N THR A 10 0.962 -6.385 -2.746 1.00 0.00 N ATOM 51 CA THR A 10 1.650 -7.200 -1.760 1.00 0.00 C ATOM 52 C THR A 10 1.475 -6.607 -0.361 1.00 0.00 C ATOM 53 O THR A 10 1.043 -7.298 0.561 1.00 0.00 O ATOM 54 CB THR A 10 3.114 -7.324 -2.188 1.00 0.00 C ATOM 55 OG1 THR A 10 3.488 -5.994 -2.537 1.00 0.00 O ATOM 56 CG2 THR A 10 3.279 -8.112 -3.490 1.00 0.00 C ATOM 0 H THR A 10 1.515 -6.158 -3.572 1.00 0.00 H new ATOM 0 HA THR A 10 1.224 -8.202 -1.709 1.00 0.00 H new ATOM 0 HB THR A 10 3.684 -7.809 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.425 -5.982 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.336 -8.170 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.881 -9.118 -3.359 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.737 -7.609 -4.291 1.00 0.00 H new ATOM 64 N GLN A 11 1.819 -5.332 -0.246 1.00 0.00 N ATOM 65 CA GLN A 11 1.704 -4.638 1.025 1.00 0.00 C ATOM 66 C GLN A 11 0.243 -4.284 1.308 1.00 0.00 C ATOM 67 O GLN A 11 -0.179 -4.249 2.462 1.00 0.00 O ATOM 68 CB GLN A 11 2.586 -3.388 1.048 1.00 0.00 C ATOM 69 CG GLN A 11 3.760 -3.562 2.014 1.00 0.00 C ATOM 70 CD GLN A 11 3.580 -2.692 3.259 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.510 -2.178 3.540 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.684 -2.555 3.988 1.00 0.00 N ATOM 0 H GLN A 11 2.177 -4.762 -1.012 1.00 0.00 H new ATOM 0 HA GLN A 11 2.054 -5.305 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.963 -3.186 0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.991 -2.524 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.843 -4.609 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.691 -3.297 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.548 -3.012 3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.667 -1.993 4.839 1.00 0.00 H new ATOM 81 N LEU A 12 -0.489 -4.030 0.233 1.00 0.00 N ATOM 82 CA LEU A 12 -1.895 -3.680 0.350 1.00 0.00 C ATOM 83 C LEU A 12 -2.594 -4.694 1.258 1.00 0.00 C ATOM 84 O LEU A 12 -3.402 -4.319 2.106 1.00 0.00 O ATOM 85 CB LEU A 12 -2.532 -3.552 -1.035 1.00 0.00 C ATOM 86 CG LEU A 12 -3.707 -2.578 -1.145 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.721 -2.813 -0.024 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.216 -1.129 -1.179 1.00 0.00 C ATOM 0 H LEU A 12 -0.135 -4.060 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.007 -2.702 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.761 -3.242 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.873 -4.539 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.220 -2.767 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.546 -2.108 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.104 -3.831 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.236 -2.668 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.071 -0.457 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.665 -0.910 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.562 -0.986 -2.039 1.00 0.00 H new ATOM 100 N SER A 13 -2.258 -5.958 1.049 1.00 0.00 N ATOM 101 CA SER A 13 -2.844 -7.029 1.838 1.00 0.00 C ATOM 102 C SER A 13 -2.111 -8.343 1.562 1.00 0.00 C ATOM 103 O SER A 13 -2.729 -9.332 1.169 1.00 0.00 O ATOM 104 CB SER A 13 -4.337 -7.180 1.538 1.00 0.00 C ATOM 105 OG SER A 13 -5.146 -6.535 2.517 1.00 0.00 O ATOM 0 H SER A 13 -1.587 -6.265 0.345 1.00 0.00 H new ATOM 0 HA SER A 13 -2.737 -6.776 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.554 -6.761 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.593 -8.239 1.496 1.00 0.00 H new ATOM 0 HG SER A 13 -4.822 -5.621 2.658 1.00 0.00 H new ATOM 111 N SER A 14 -0.805 -8.312 1.779 1.00 0.00 N ATOM 112 CA SER A 14 0.019 -9.489 1.559 1.00 0.00 C ATOM 113 C SER A 14 -0.127 -9.967 0.113 1.00 0.00 C ATOM 114 O SER A 14 0.226 -11.100 -0.208 1.00 0.00 O ATOM 115 CB SER A 14 -0.354 -10.611 2.530 1.00 0.00 C ATOM 116 OG SER A 14 0.734 -10.967 3.378 1.00 0.00 O ATOM 0 H SER A 14 -0.296 -7.490 2.105 1.00 0.00 H new ATOM 0 HA SER A 14 1.059 -9.218 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.201 -10.296 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.676 -11.487 1.966 1.00 0.00 H new ATOM 0 HG SER A 14 0.455 -11.685 3.984 1.00 0.00 H new ATOM 122 N GLY A 15 -0.649 -9.079 -0.720 1.00 0.00 N ATOM 123 CA GLY A 15 -0.846 -9.396 -2.124 1.00 0.00 C ATOM 124 C GLY A 15 -2.018 -10.362 -2.309 1.00 0.00 C ATOM 125 O GLY A 15 -1.929 -11.311 -3.087 1.00 0.00 O ATOM 0 H GLY A 15 -0.942 -8.140 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.033 -8.480 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.063 -9.839 -2.531 1.00 0.00 H new ATOM 129 N ASN A 16 -3.090 -10.087 -1.581 1.00 0.00 N ATOM 130 CA ASN A 16 -4.279 -10.919 -1.655 1.00 0.00 C ATOM 131 C ASN A 16 -4.896 -10.797 -3.050 1.00 0.00 C ATOM 132 O ASN A 16 -5.239 -9.700 -3.487 1.00 0.00 O ATOM 133 CB ASN A 16 -5.327 -10.474 -0.633 1.00 0.00 C ATOM 134 CG ASN A 16 -6.268 -11.627 -0.276 1.00 0.00 C ATOM 135 OD1 ASN A 16 -6.684 -12.407 -1.116 1.00 0.00 O ATOM 136 ND2 ASN A 16 -6.579 -11.690 1.016 1.00 0.00 N ATOM 0 H ASN A 16 -3.160 -9.299 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.985 -11.947 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.831 -10.112 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.903 -9.641 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.201 -12.424 1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.196 -11.005 1.667 1.00 0.00 H new ATOM 143 N PRO A 17 -5.022 -11.970 -3.727 1.00 0.00 N ATOM 144 CA PRO A 17 -5.591 -12.005 -5.063 1.00 0.00 C ATOM 145 C PRO A 17 -7.110 -11.829 -5.016 1.00 0.00 C ATOM 146 O PRO A 17 -7.729 -11.476 -6.019 1.00 0.00 O ATOM 147 CB PRO A 17 -5.166 -13.347 -5.637 1.00 0.00 C ATOM 148 CG PRO A 17 -4.772 -14.204 -4.445 1.00 0.00 C ATOM 149 CD PRO A 17 -4.626 -13.289 -3.240 1.00 0.00 C ATOM 0 HA PRO A 17 -5.238 -11.188 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.980 -13.808 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.330 -13.230 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.528 -14.966 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.836 -14.726 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.261 -13.614 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.601 -13.283 -2.869 1.00 0.00 H new ATOM 157 N VAL A 18 -7.668 -12.084 -3.841 1.00 0.00 N ATOM 158 CA VAL A 18 -9.102 -11.958 -3.650 1.00 0.00 C ATOM 159 C VAL A 18 -9.591 -10.671 -4.318 1.00 0.00 C ATOM 160 O VAL A 18 -10.609 -10.673 -5.009 1.00 0.00 O ATOM 161 CB VAL A 18 -9.440 -12.023 -2.159 1.00 0.00 C ATOM 162 CG1 VAL A 18 -8.811 -10.851 -1.404 1.00 0.00 C ATOM 163 CG2 VAL A 18 -10.953 -12.067 -1.941 1.00 0.00 C ATOM 0 H VAL A 18 -7.152 -12.377 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.624 -12.789 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.018 -12.945 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.066 -10.920 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.728 -10.884 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.190 -9.912 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.166 -12.113 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.408 -11.171 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.366 -12.949 -2.431 1.00 0.00 H new ATOM 173 N TYR A 19 -8.841 -9.602 -4.089 1.00 0.00 N ATOM 174 CA TYR A 19 -9.185 -8.311 -4.660 1.00 0.00 C ATOM 175 C TYR A 19 -9.068 -8.337 -6.186 1.00 0.00 C ATOM 176 O TYR A 19 -9.849 -7.692 -6.883 1.00 0.00 O ATOM 177 CB TYR A 19 -8.166 -7.317 -4.099 1.00 0.00 C ATOM 178 CG TYR A 19 -8.550 -6.733 -2.739 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.834 -6.275 -2.522 1.00 0.00 C ATOM 180 CD2 TYR A 19 -7.614 -6.664 -1.728 1.00 0.00 C ATOM 181 CE1 TYR A 19 -10.196 -5.725 -1.242 1.00 0.00 C ATOM 182 CE2 TYR A 19 -7.976 -6.114 -0.447 1.00 0.00 C ATOM 183 CZ TYR A 19 -9.249 -5.672 -0.267 1.00 0.00 C ATOM 184 OH TYR A 19 -9.591 -5.152 0.942 1.00 0.00 O ATOM 0 H TYR A 19 -7.997 -9.604 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.212 -8.043 -4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.200 -7.814 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.040 -6.501 -4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.567 -6.329 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.609 -7.023 -1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.197 -5.363 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.252 -6.054 0.353 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.000 -5.850 1.495 1.00 0.00 H new ATOM 194 N GLU A 20 -8.085 -9.090 -6.659 1.00 0.00 N ATOM 195 CA GLU A 20 -7.855 -9.208 -8.089 1.00 0.00 C ATOM 196 C GLU A 20 -9.091 -9.790 -8.778 1.00 0.00 C ATOM 197 O GLU A 20 -9.398 -9.433 -9.914 1.00 0.00 O ATOM 198 CB GLU A 20 -6.616 -10.058 -8.376 1.00 0.00 C ATOM 199 CG GLU A 20 -5.534 -9.230 -9.073 1.00 0.00 C ATOM 200 CD GLU A 20 -5.461 -9.566 -10.564 1.00 0.00 C ATOM 201 OE1 GLU A 20 -5.301 -10.741 -10.927 1.00 0.00 O ATOM 202 OE2 GLU A 20 -5.579 -8.556 -11.357 1.00 0.00 O ATOM 0 H GLU A 20 -7.439 -9.624 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.673 -8.212 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.224 -10.464 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.890 -10.907 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.745 -8.168 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.568 -9.421 -8.606 1.00 0.00 H new ATOM 210 N LYS A 21 -9.766 -10.678 -8.062 1.00 0.00 N ATOM 211 CA LYS A 21 -10.961 -11.313 -8.591 1.00 0.00 C ATOM 212 C LYS A 21 -11.989 -10.237 -8.949 1.00 0.00 C ATOM 213 O LYS A 21 -12.614 -10.299 -10.007 1.00 0.00 O ATOM 214 CB LYS A 21 -11.487 -12.364 -7.612 1.00 0.00 C ATOM 215 CG LYS A 21 -10.500 -13.525 -7.471 1.00 0.00 C ATOM 216 CD LYS A 21 -11.121 -14.835 -7.959 1.00 0.00 C ATOM 217 CE LYS A 21 -10.753 -15.995 -7.032 1.00 0.00 C ATOM 218 NZ LYS A 21 -11.085 -17.290 -7.665 1.00 0.00 N ATOM 0 H LYS A 21 -9.508 -10.972 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.731 -11.853 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.657 -11.906 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.449 -12.740 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.597 -13.311 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.200 -13.627 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.205 -14.732 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.777 -15.050 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.689 -15.959 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.288 -15.897 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.829 -18.066 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.105 -17.328 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.555 -17.388 -8.554 1.00 0.00 H new ATOM 229 N TYR A 22 -12.132 -9.277 -8.047 1.00 0.00 N ATOM 230 CA TYR A 22 -13.073 -8.190 -8.255 1.00 0.00 C ATOM 231 C TYR A 22 -12.544 -7.197 -9.292 1.00 0.00 C ATOM 232 O TYR A 22 -13.268 -6.802 -10.205 1.00 0.00 O ATOM 233 CB TYR A 22 -13.202 -7.480 -6.906 1.00 0.00 C ATOM 234 CG TYR A 22 -13.844 -8.334 -5.811 1.00 0.00 C ATOM 235 CD1 TYR A 22 -15.218 -8.442 -5.737 1.00 0.00 C ATOM 236 CD2 TYR A 22 -13.049 -8.997 -4.898 1.00 0.00 C ATOM 237 CE1 TYR A 22 -15.822 -9.247 -4.707 1.00 0.00 C ATOM 238 CE2 TYR A 22 -13.654 -9.802 -3.868 1.00 0.00 C ATOM 239 CZ TYR A 22 -15.011 -9.887 -3.823 1.00 0.00 C ATOM 240 OH TYR A 22 -15.582 -10.646 -2.850 1.00 0.00 O ATOM 0 H TYR A 22 -11.612 -9.230 -7.171 1.00 0.00 H new ATOM 0 HA TYR A 22 -14.026 -8.573 -8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.211 -7.168 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.793 -6.574 -7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -15.840 -7.923 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.974 -8.912 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -16.896 -9.340 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.044 -10.326 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.694 -10.108 -2.039 1.00 0.00 H new ATOM 250 N TYR A 23 -11.285 -6.823 -9.117 1.00 0.00 N ATOM 251 CA TYR A 23 -10.651 -5.884 -10.027 1.00 0.00 C ATOM 252 C TYR A 23 -10.774 -6.356 -11.477 1.00 0.00 C ATOM 253 O TYR A 23 -10.702 -5.551 -12.404 1.00 0.00 O ATOM 254 CB TYR A 23 -9.172 -5.853 -9.637 1.00 0.00 C ATOM 255 CG TYR A 23 -8.239 -5.416 -10.768 1.00 0.00 C ATOM 256 CD1 TYR A 23 -7.747 -6.350 -11.656 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.890 -4.087 -10.900 1.00 0.00 C ATOM 258 CE1 TYR A 23 -6.869 -5.939 -12.721 1.00 0.00 C ATOM 259 CE2 TYR A 23 -7.012 -3.676 -11.965 1.00 0.00 C ATOM 260 CZ TYR A 23 -6.545 -4.622 -12.823 1.00 0.00 C ATOM 261 OH TYR A 23 -5.715 -4.234 -13.828 1.00 0.00 O ATOM 0 H TYR A 23 -10.687 -7.153 -8.359 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.123 -4.904 -9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.044 -5.176 -8.792 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.875 -6.846 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.020 -7.390 -11.553 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.275 -3.356 -10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.477 -6.660 -13.423 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.731 -2.640 -12.080 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.572 -3.266 -13.779 1.00 0.00 H new ATOM 271 N ARG A 24 -10.958 -7.660 -11.627 1.00 0.00 N ATOM 272 CA ARG A 24 -11.092 -8.249 -12.948 1.00 0.00 C ATOM 273 C ARG A 24 -12.568 -8.347 -13.339 1.00 0.00 C ATOM 274 O ARG A 24 -12.897 -8.418 -14.522 1.00 0.00 O ATOM 275 CB ARG A 24 -10.465 -9.644 -12.995 1.00 0.00 C ATOM 276 CG ARG A 24 -10.156 -10.059 -14.435 1.00 0.00 C ATOM 277 CD ARG A 24 -11.399 -10.630 -15.120 1.00 0.00 C ATOM 278 NE ARG A 24 -11.047 -11.859 -15.865 1.00 0.00 N ATOM 279 CZ ARG A 24 -11.846 -12.445 -16.782 1.00 0.00 C ATOM 280 NH1 ARG A 24 -13.054 -11.916 -17.075 1.00 0.00 N ATOM 281 NH2 ARG A 24 -11.430 -13.541 -17.387 1.00 0.00 N ATOM 0 H ARG A 24 -11.017 -8.325 -10.855 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.568 -7.604 -13.653 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.548 -9.654 -12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.144 -10.367 -12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.791 -9.198 -14.995 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.360 -10.803 -14.440 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.164 -10.852 -14.376 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.821 -9.891 -15.801 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.143 -12.291 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.368 -11.068 -16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.652 -12.364 -17.769 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.517 -13.934 -17.160 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.022 -13.996 -18.082 1.00 0.00 H new ATOM 294 N GLN A 25 -13.417 -8.348 -12.322 1.00 0.00 N ATOM 295 CA GLN A 25 -14.850 -8.436 -12.544 1.00 0.00 C ATOM 296 C GLN A 25 -15.339 -7.224 -13.340 1.00 0.00 C ATOM 297 O GLN A 25 -16.218 -7.350 -14.192 1.00 0.00 O ATOM 298 CB GLN A 25 -15.604 -8.562 -11.219 1.00 0.00 C ATOM 299 CG GLN A 25 -15.770 -10.029 -10.819 1.00 0.00 C ATOM 300 CD GLN A 25 -17.231 -10.349 -10.500 1.00 0.00 C ATOM 301 OE1 GLN A 25 -17.754 -11.396 -10.845 1.00 0.00 O ATOM 302 NE2 GLN A 25 -17.860 -9.391 -9.824 1.00 0.00 N ATOM 0 H GLN A 25 -13.140 -8.289 -11.342 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.053 -9.335 -13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.064 -8.027 -10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.584 -8.093 -11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.422 -10.672 -11.628 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.149 -10.245 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.363 -8.538 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.839 -9.509 -9.564 1.00 0.00 H new ATOM 311 N VAL A 26 -14.749 -6.078 -13.034 1.00 0.00 N ATOM 312 CA VAL A 26 -15.114 -4.845 -13.711 1.00 0.00 C ATOM 313 C VAL A 26 -14.435 -4.800 -15.081 1.00 0.00 C ATOM 314 O VAL A 26 -14.911 -4.123 -15.992 1.00 0.00 O ATOM 315 CB VAL A 26 -14.765 -3.643 -12.831 1.00 0.00 C ATOM 316 CG1 VAL A 26 -14.872 -4.000 -11.347 1.00 0.00 C ATOM 317 CG2 VAL A 26 -13.373 -3.104 -13.166 1.00 0.00 C ATOM 0 H VAL A 26 -14.021 -5.977 -12.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -16.190 -4.806 -13.880 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.489 -2.855 -13.039 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.619 -3.128 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.891 -4.314 -11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.183 -4.812 -11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.150 -2.250 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.631 -3.885 -13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.345 -2.792 -14.210 1.00 0.00 H new ATOM 327 N GLU A 27 -13.334 -5.529 -15.185 1.00 0.00 N ATOM 328 CA GLU A 27 -12.585 -5.581 -16.429 1.00 0.00 C ATOM 329 C GLU A 27 -13.472 -6.103 -17.561 1.00 0.00 C ATOM 330 O GLU A 27 -14.243 -7.041 -17.367 1.00 0.00 O ATOM 331 CB GLU A 27 -11.328 -6.439 -16.277 1.00 0.00 C ATOM 332 CG GLU A 27 -10.499 -6.431 -17.563 1.00 0.00 C ATOM 333 CD GLU A 27 -10.215 -7.857 -18.041 1.00 0.00 C ATOM 334 OE1 GLU A 27 -9.654 -8.664 -17.285 1.00 0.00 O ATOM 335 OE2 GLU A 27 -10.601 -8.115 -19.245 1.00 0.00 O ATOM 0 H GLU A 27 -12.942 -6.089 -14.428 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.266 -4.570 -16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.726 -6.064 -15.450 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.610 -7.462 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.032 -5.882 -18.340 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.559 -5.907 -17.391 1.00 0.00 H new ATOM 343 N ALA A 28 -13.332 -5.473 -18.718 1.00 0.00 N ATOM 344 CA ALA A 28 -14.110 -5.862 -19.881 1.00 0.00 C ATOM 345 C ALA A 28 -13.176 -6.446 -20.943 1.00 0.00 C ATOM 346 O ALA A 28 -11.959 -6.296 -20.854 1.00 0.00 O ATOM 347 CB ALA A 28 -14.896 -4.655 -20.397 1.00 0.00 C ATOM 0 H ALA A 28 -12.691 -4.695 -18.875 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.833 -6.634 -19.617 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.480 -4.947 -21.270 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.566 -4.296 -19.616 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.203 -3.861 -20.673 1.00 0.00 H new ATOM 353 N GLY A 29 -13.782 -7.101 -21.922 1.00 0.00 N ATOM 354 CA GLY A 29 -13.020 -7.709 -23.000 1.00 0.00 C ATOM 355 C GLY A 29 -12.014 -8.724 -22.454 1.00 0.00 C ATOM 356 O GLY A 29 -11.989 -8.996 -21.255 1.00 0.00 O ATOM 0 H GLY A 29 -14.792 -7.224 -21.992 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.698 -8.202 -23.697 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.494 -6.936 -23.560 1.00 0.00 H new ATOM 360 N ASN A 30 -11.209 -9.258 -23.362 1.00 0.00 N ATOM 361 CA ASN A 30 -10.204 -10.238 -22.987 1.00 0.00 C ATOM 362 C ASN A 30 -8.812 -9.665 -23.263 1.00 0.00 C ATOM 363 O ASN A 30 -7.893 -10.402 -23.618 1.00 0.00 O ATOM 364 CB ASN A 30 -10.356 -11.523 -23.802 1.00 0.00 C ATOM 365 CG ASN A 30 -10.021 -12.753 -22.955 1.00 0.00 C ATOM 366 OD1 ASN A 30 -8.921 -12.912 -22.453 1.00 0.00 O ATOM 367 ND2 ASN A 30 -11.029 -13.610 -22.824 1.00 0.00 N ATOM 0 H ASN A 30 -11.233 -9.030 -24.356 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.333 -10.465 -21.929 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.377 -11.602 -24.176 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.700 -11.486 -24.671 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.906 -14.462 -22.276 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.925 -13.416 -23.271 1.00 0.00 H new ATOM 374 N THR A 31 -8.700 -8.356 -23.089 1.00 0.00 N ATOM 375 CA THR A 31 -7.436 -7.677 -23.315 1.00 0.00 C ATOM 376 C THR A 31 -6.546 -7.779 -22.075 1.00 0.00 C ATOM 377 O THR A 31 -5.328 -7.910 -22.189 1.00 0.00 O ATOM 378 CB THR A 31 -7.741 -6.235 -23.726 1.00 0.00 C ATOM 379 OG1 THR A 31 -8.809 -5.847 -22.866 1.00 0.00 O ATOM 380 CG2 THR A 31 -8.342 -6.141 -25.131 1.00 0.00 C ATOM 0 H THR A 31 -9.464 -7.748 -22.794 1.00 0.00 H new ATOM 0 HA THR A 31 -6.873 -8.148 -24.120 1.00 0.00 H new ATOM 0 HB THR A 31 -6.826 -5.644 -23.682 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.175 -4.989 -23.165 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.540 -5.097 -25.373 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.640 -6.555 -25.855 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.275 -6.704 -25.166 1.00 0.00 H new ATOM 388 N GLY A 32 -7.189 -7.716 -20.918 1.00 0.00 N ATOM 389 CA GLY A 32 -6.471 -7.800 -19.658 1.00 0.00 C ATOM 390 C GLY A 32 -6.309 -6.417 -19.025 1.00 0.00 C ATOM 391 O GLY A 32 -5.423 -6.207 -18.199 1.00 0.00 O ATOM 0 H GLY A 32 -8.199 -7.608 -20.827 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.007 -8.457 -18.973 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.490 -8.245 -19.824 1.00 0.00 H new ATOM 395 N ARG A 33 -7.181 -5.507 -19.437 1.00 0.00 N ATOM 396 CA ARG A 33 -7.146 -4.150 -18.921 1.00 0.00 C ATOM 397 C ARG A 33 -8.540 -3.723 -18.457 1.00 0.00 C ATOM 398 O ARG A 33 -9.546 -4.168 -19.009 1.00 0.00 O ATOM 399 CB ARG A 33 -6.647 -3.169 -19.984 1.00 0.00 C ATOM 400 CG ARG A 33 -7.538 -3.209 -21.228 1.00 0.00 C ATOM 401 CD ARG A 33 -8.226 -1.861 -21.452 1.00 0.00 C ATOM 402 NE ARG A 33 -7.530 -1.109 -22.521 1.00 0.00 N ATOM 403 CZ ARG A 33 -7.609 -1.412 -23.834 1.00 0.00 C ATOM 404 NH1 ARG A 33 -8.355 -2.456 -24.253 1.00 0.00 N ATOM 405 NH2 ARG A 33 -6.945 -0.672 -24.702 1.00 0.00 N ATOM 0 H ARG A 33 -7.916 -5.684 -20.122 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.457 -4.134 -18.076 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.633 -2.159 -19.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.621 -3.415 -20.259 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.938 -3.465 -22.101 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.289 -3.991 -21.117 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.269 -2.017 -21.726 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.222 -1.283 -20.528 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.955 -0.312 -22.248 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.865 -3.023 -23.575 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.409 -2.678 -25.247 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.383 0.115 -24.377 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.994 -0.887 -25.698 1.00 0.00 H new ATOM 418 N VAL A 34 -8.556 -2.865 -17.447 1.00 0.00 N ATOM 419 CA VAL A 34 -9.810 -2.373 -16.903 1.00 0.00 C ATOM 420 C VAL A 34 -10.076 -0.964 -17.438 1.00 0.00 C ATOM 421 O VAL A 34 -9.384 -0.016 -17.071 1.00 0.00 O ATOM 422 CB VAL A 34 -9.777 -2.435 -15.374 1.00 0.00 C ATOM 423 CG1 VAL A 34 -8.945 -1.288 -14.797 1.00 0.00 C ATOM 424 CG2 VAL A 34 -11.193 -2.431 -14.795 1.00 0.00 C ATOM 0 H VAL A 34 -7.720 -2.498 -16.991 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.639 -3.004 -17.223 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.300 -3.372 -15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.938 -1.355 -13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.924 -1.355 -15.172 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.380 -0.335 -15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.141 -2.476 -13.707 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.707 -1.518 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.741 -3.296 -15.168 1.00 0.00 H new ATOM 434 N LEU A 35 -11.080 -0.872 -18.298 1.00 0.00 N ATOM 435 CA LEU A 35 -11.445 0.405 -18.887 1.00 0.00 C ATOM 436 C LEU A 35 -11.752 1.407 -17.773 1.00 0.00 C ATOM 437 O LEU A 35 -11.797 2.613 -18.013 1.00 0.00 O ATOM 438 CB LEU A 35 -12.591 0.225 -19.886 1.00 0.00 C ATOM 439 CG LEU A 35 -12.226 0.391 -21.362 1.00 0.00 C ATOM 440 CD1 LEU A 35 -13.307 -0.207 -22.265 1.00 0.00 C ATOM 441 CD2 LEU A 35 -11.946 1.857 -21.697 1.00 0.00 C ATOM 0 H LEU A 35 -11.652 -1.661 -18.601 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.613 0.812 -19.461 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.015 -0.769 -19.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.375 0.943 -19.643 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.306 -0.163 -21.550 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.023 -0.076 -23.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.414 -1.270 -22.049 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.255 0.298 -22.081 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.689 1.946 -22.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.834 2.454 -21.488 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.115 2.217 -21.090 1.00 0.00 H new ATOM 453 N ALA A 36 -11.955 0.871 -16.578 1.00 0.00 N ATOM 454 CA ALA A 36 -12.256 1.704 -15.426 1.00 0.00 C ATOM 455 C ALA A 36 -13.761 1.978 -15.380 1.00 0.00 C ATOM 456 O ALA A 36 -14.389 1.837 -14.332 1.00 0.00 O ATOM 457 CB ALA A 36 -11.431 2.990 -15.496 1.00 0.00 C ATOM 0 H ALA A 36 -11.917 -0.129 -16.383 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.985 1.193 -14.502 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.657 3.615 -14.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.370 2.742 -15.497 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.678 3.531 -16.409 1.00 0.00 H new ATOM 463 N LEU A 37 -14.295 2.365 -16.529 1.00 0.00 N ATOM 464 CA LEU A 37 -15.714 2.660 -16.633 1.00 0.00 C ATOM 465 C LEU A 37 -16.502 1.661 -15.783 1.00 0.00 C ATOM 466 O LEU A 37 -17.336 2.055 -14.969 1.00 0.00 O ATOM 467 CB LEU A 37 -16.148 2.697 -18.099 1.00 0.00 C ATOM 468 CG LEU A 37 -16.006 4.045 -18.807 1.00 0.00 C ATOM 469 CD1 LEU A 37 -14.537 4.363 -19.093 1.00 0.00 C ATOM 470 CD2 LEU A 37 -16.859 4.091 -20.076 1.00 0.00 C ATOM 0 H LEU A 37 -13.771 2.481 -17.396 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.926 3.653 -16.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.565 1.957 -18.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.192 2.387 -18.156 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.380 4.821 -18.139 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.465 5.327 -19.597 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.984 4.402 -18.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.114 3.587 -19.732 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.739 5.060 -20.560 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.539 3.303 -20.758 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.907 3.942 -19.816 1.00 0.00 H new ATOM 482 N ASP A 38 -16.209 0.387 -16.001 1.00 0.00 N ATOM 483 CA ASP A 38 -16.880 -0.671 -15.266 1.00 0.00 C ATOM 484 C ASP A 38 -16.505 -0.574 -13.785 1.00 0.00 C ATOM 485 O ASP A 38 -17.368 -0.672 -12.915 1.00 0.00 O ATOM 486 CB ASP A 38 -16.453 -2.050 -15.772 1.00 0.00 C ATOM 487 CG ASP A 38 -17.545 -2.840 -16.497 1.00 0.00 C ATOM 488 OD1 ASP A 38 -18.110 -2.377 -17.499 1.00 0.00 O ATOM 489 OD2 ASP A 38 -17.814 -3.993 -15.985 1.00 0.00 O ATOM 0 H ASP A 38 -15.516 0.064 -16.676 1.00 0.00 H new ATOM 0 HA ASP A 38 -17.954 -0.551 -15.408 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.606 -1.926 -16.447 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.102 -2.639 -14.924 1.00 0.00 H new ATOM 495 N ALA A 39 -15.216 -0.383 -13.546 1.00 0.00 N ATOM 496 CA ALA A 39 -14.716 -0.272 -12.186 1.00 0.00 C ATOM 497 C ALA A 39 -15.610 0.684 -11.395 1.00 0.00 C ATOM 498 O ALA A 39 -16.056 0.357 -10.296 1.00 0.00 O ATOM 499 CB ALA A 39 -13.255 0.183 -12.215 1.00 0.00 C ATOM 0 H ALA A 39 -14.503 -0.302 -14.271 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.746 -1.240 -11.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.880 0.266 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.658 -0.546 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.186 1.153 -12.708 1.00 0.00 H new ATOM 505 N ALA A 40 -15.845 1.847 -11.985 1.00 0.00 N ATOM 506 CA ALA A 40 -16.678 2.854 -11.349 1.00 0.00 C ATOM 507 C ALA A 40 -18.066 2.268 -11.084 1.00 0.00 C ATOM 508 O ALA A 40 -18.728 2.644 -10.118 1.00 0.00 O ATOM 509 CB ALA A 40 -16.731 4.104 -12.230 1.00 0.00 C ATOM 0 H ALA A 40 -15.473 2.114 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.256 3.150 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.356 4.859 -11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.724 4.498 -12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.152 3.846 -13.202 1.00 0.00 H new ATOM 515 N ALA A 41 -18.465 1.357 -11.959 1.00 0.00 N ATOM 516 CA ALA A 41 -19.763 0.715 -11.832 1.00 0.00 C ATOM 517 C ALA A 41 -19.749 -0.219 -10.620 1.00 0.00 C ATOM 518 O ALA A 41 -20.620 -0.134 -9.756 1.00 0.00 O ATOM 519 CB ALA A 41 -20.099 -0.020 -13.131 1.00 0.00 C ATOM 0 H ALA A 41 -17.913 1.048 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.544 1.458 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -21.072 -0.501 -13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -20.126 0.692 -13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.339 -0.775 -13.329 1.00 0.00 H new ATOM 525 N PHE A 42 -18.749 -1.089 -10.596 1.00 0.00 N ATOM 526 CA PHE A 42 -18.610 -2.038 -9.505 1.00 0.00 C ATOM 527 C PHE A 42 -18.566 -1.319 -8.155 1.00 0.00 C ATOM 528 O PHE A 42 -19.248 -1.718 -7.212 1.00 0.00 O ATOM 529 CB PHE A 42 -17.287 -2.776 -9.720 1.00 0.00 C ATOM 530 CG PHE A 42 -16.809 -3.564 -8.499 1.00 0.00 C ATOM 531 CD1 PHE A 42 -17.384 -4.757 -8.191 1.00 0.00 C ATOM 532 CD2 PHE A 42 -15.808 -3.071 -7.721 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.940 -5.488 -7.058 1.00 0.00 C ATOM 534 CE2 PHE A 42 -15.363 -3.802 -6.588 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.939 -4.996 -6.280 1.00 0.00 C ATOM 0 H PHE A 42 -18.028 -1.156 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 42 -19.460 -2.721 -9.495 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.397 -3.460 -10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.520 -2.053 -9.996 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -18.179 -5.149 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.352 -2.123 -7.965 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.397 -6.435 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.568 -3.411 -5.971 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.601 -5.552 -5.418 1.00 0.00 H new ATOM 545 N LEU A 43 -17.756 -0.271 -8.105 1.00 0.00 N ATOM 546 CA LEU A 43 -17.614 0.507 -6.886 1.00 0.00 C ATOM 547 C LEU A 43 -19.001 0.859 -6.346 1.00 0.00 C ATOM 548 O LEU A 43 -19.276 0.673 -5.161 1.00 0.00 O ATOM 549 CB LEU A 43 -16.722 1.726 -7.130 1.00 0.00 C ATOM 550 CG LEU A 43 -15.232 1.438 -7.325 1.00 0.00 C ATOM 551 CD1 LEU A 43 -14.484 2.697 -7.770 1.00 0.00 C ATOM 552 CD2 LEU A 43 -14.622 0.825 -6.063 1.00 0.00 C ATOM 0 H LEU A 43 -17.192 0.057 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.111 -0.079 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.089 2.249 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.833 2.407 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.128 0.702 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.427 2.465 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.898 3.052 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.594 3.472 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.562 0.630 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.738 1.518 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.131 -0.110 -5.830 1.00 0.00 H new ATOM 564 N LYS A 44 -19.840 1.362 -7.240 1.00 0.00 N ATOM 565 CA LYS A 44 -21.192 1.741 -6.868 1.00 0.00 C ATOM 566 C LYS A 44 -21.854 0.584 -6.117 1.00 0.00 C ATOM 567 O LYS A 44 -22.810 0.789 -5.372 1.00 0.00 O ATOM 568 CB LYS A 44 -21.976 2.205 -8.097 1.00 0.00 C ATOM 569 CG LYS A 44 -21.452 3.549 -8.607 1.00 0.00 C ATOM 570 CD LYS A 44 -22.567 4.597 -8.635 1.00 0.00 C ATOM 571 CE LYS A 44 -22.551 5.379 -9.950 1.00 0.00 C ATOM 572 NZ LYS A 44 -23.071 4.545 -11.056 1.00 0.00 N ATOM 0 H LYS A 44 -19.609 1.516 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.175 2.593 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -21.898 1.457 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.033 2.294 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.640 3.894 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.038 3.426 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.533 4.109 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.446 5.284 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.156 6.280 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.534 5.701 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.149 5.121 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.421 3.751 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.009 4.176 -10.801 1.00 0.00 H new ATOM 583 N LYS A 45 -21.318 -0.608 -6.341 1.00 0.00 N ATOM 584 CA LYS A 45 -21.844 -1.798 -5.695 1.00 0.00 C ATOM 585 C LYS A 45 -21.289 -1.889 -4.272 1.00 0.00 C ATOM 586 O LYS A 45 -21.304 -2.958 -3.663 1.00 0.00 O ATOM 587 CB LYS A 45 -21.563 -3.038 -6.546 1.00 0.00 C ATOM 588 CG LYS A 45 -21.877 -2.775 -8.020 1.00 0.00 C ATOM 589 CD LYS A 45 -22.020 -4.087 -8.793 1.00 0.00 C ATOM 590 CE LYS A 45 -22.571 -3.838 -10.198 1.00 0.00 C ATOM 591 NZ LYS A 45 -24.019 -4.142 -10.249 1.00 0.00 N ATOM 0 H LYS A 45 -20.525 -0.774 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 45 -22.929 -1.737 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.517 -3.327 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.163 -3.874 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.798 -2.198 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.084 -2.173 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.051 -4.581 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.684 -4.761 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.401 -2.800 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.038 -4.458 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.377 -3.968 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.173 -5.139 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.526 -3.533 -9.575 1.00 0.00 H new ATOM 602 N SER A 46 -20.811 -0.754 -3.784 1.00 0.00 N ATOM 603 CA SER A 46 -20.251 -0.692 -2.444 1.00 0.00 C ATOM 604 C SER A 46 -21.331 -0.271 -1.445 1.00 0.00 C ATOM 605 O SER A 46 -21.835 -1.097 -0.686 1.00 0.00 O ATOM 606 CB SER A 46 -19.068 0.276 -2.386 1.00 0.00 C ATOM 607 OG SER A 46 -19.478 1.631 -2.543 1.00 0.00 O ATOM 0 H SER A 46 -20.800 0.130 -4.292 1.00 0.00 H new ATOM 0 HA SER A 46 -19.887 -1.685 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.553 0.162 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.352 0.021 -3.168 1.00 0.00 H new ATOM 0 HG SER A 46 -19.584 1.832 -3.496 1.00 0.00 H new ATOM 613 N GLY A 47 -21.653 1.014 -1.478 1.00 0.00 N ATOM 614 CA GLY A 47 -22.664 1.554 -0.584 1.00 0.00 C ATOM 615 C GLY A 47 -22.649 3.084 -0.601 1.00 0.00 C ATOM 616 O GLY A 47 -23.683 3.721 -0.407 1.00 0.00 O ATOM 0 H GLY A 47 -21.232 1.696 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -23.648 1.193 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.487 1.196 0.430 1.00 0.00 H new ATOM 620 N LEU A 48 -21.464 3.630 -0.835 1.00 0.00 N ATOM 621 CA LEU A 48 -21.301 5.073 -0.880 1.00 0.00 C ATOM 622 C LEU A 48 -22.043 5.628 -2.097 1.00 0.00 C ATOM 623 O LEU A 48 -22.363 4.887 -3.025 1.00 0.00 O ATOM 624 CB LEU A 48 -19.817 5.445 -0.842 1.00 0.00 C ATOM 625 CG LEU A 48 -19.171 5.486 0.544 1.00 0.00 C ATOM 626 CD1 LEU A 48 -17.647 5.407 0.441 1.00 0.00 C ATOM 627 CD2 LEU A 48 -19.629 6.718 1.327 1.00 0.00 C ATOM 0 H LEU A 48 -20.608 3.099 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.745 5.535 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.268 4.731 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.696 6.424 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.502 4.609 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.213 5.438 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.363 4.476 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.277 6.251 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.155 6.722 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.347 7.620 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.712 6.691 1.447 1.00 0.00 H new ATOM 639 N PRO A 49 -22.303 6.963 -2.052 1.00 0.00 N ATOM 640 CA PRO A 49 -23.002 7.626 -3.139 1.00 0.00 C ATOM 641 C PRO A 49 -22.084 7.811 -4.350 1.00 0.00 C ATOM 642 O PRO A 49 -20.996 7.239 -4.401 1.00 0.00 O ATOM 643 CB PRO A 49 -23.483 8.943 -2.552 1.00 0.00 C ATOM 644 CG PRO A 49 -22.643 9.176 -1.307 1.00 0.00 C ATOM 645 CD PRO A 49 -21.940 7.871 -0.969 1.00 0.00 C ATOM 0 HA PRO A 49 -23.842 7.043 -3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -23.358 9.757 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -24.543 8.896 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -21.915 9.968 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -23.272 9.497 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -20.860 8.007 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -22.265 7.485 -0.003 1.00 0.00 H new ATOM 653 N ASP A 50 -22.556 8.612 -5.293 1.00 0.00 N ATOM 654 CA ASP A 50 -21.791 8.879 -6.500 1.00 0.00 C ATOM 655 C ASP A 50 -20.957 10.146 -6.300 1.00 0.00 C ATOM 656 O ASP A 50 -19.821 10.225 -6.765 1.00 0.00 O ATOM 657 CB ASP A 50 -22.715 9.105 -7.698 1.00 0.00 C ATOM 658 CG ASP A 50 -22.073 9.836 -8.880 1.00 0.00 C ATOM 659 OD1 ASP A 50 -22.621 10.823 -9.394 1.00 0.00 O ATOM 660 OD2 ASP A 50 -20.949 9.346 -9.278 1.00 0.00 O ATOM 0 H ASP A 50 -23.458 9.085 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 50 -21.154 8.016 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -23.081 8.138 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -23.583 9.674 -7.366 1.00 0.00 H new ATOM 666 N LEU A 51 -21.553 11.105 -5.607 1.00 0.00 N ATOM 667 CA LEU A 51 -20.879 12.364 -5.339 1.00 0.00 C ATOM 668 C LEU A 51 -19.591 12.093 -4.560 1.00 0.00 C ATOM 669 O LEU A 51 -18.520 12.559 -4.942 1.00 0.00 O ATOM 670 CB LEU A 51 -21.827 13.341 -4.641 1.00 0.00 C ATOM 671 CG LEU A 51 -21.668 13.461 -3.124 1.00 0.00 C ATOM 672 CD1 LEU A 51 -21.930 14.894 -2.656 1.00 0.00 C ATOM 673 CD2 LEU A 51 -22.557 12.450 -2.397 1.00 0.00 C ATOM 0 H LEU A 51 -22.495 11.035 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 51 -20.591 12.848 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.687 14.329 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.852 13.039 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.635 13.223 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.810 14.951 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.221 15.569 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.946 15.184 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.424 12.557 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -23.600 12.632 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -22.280 11.440 -2.698 1.00 0.00 H new ATOM 685 N ILE A 52 -19.739 11.339 -3.480 1.00 0.00 N ATOM 686 CA ILE A 52 -18.601 11.000 -2.643 1.00 0.00 C ATOM 687 C ILE A 52 -17.621 10.141 -3.445 1.00 0.00 C ATOM 688 O ILE A 52 -16.409 10.248 -3.270 1.00 0.00 O ATOM 689 CB ILE A 52 -19.069 10.347 -1.341 1.00 0.00 C ATOM 690 CG1 ILE A 52 -19.729 11.374 -0.418 1.00 0.00 C ATOM 691 CG2 ILE A 52 -17.917 9.613 -0.650 1.00 0.00 C ATOM 692 CD1 ILE A 52 -19.387 11.095 1.047 1.00 0.00 C ATOM 0 H ILE A 52 -20.630 10.954 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 52 -18.065 11.901 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 52 -19.825 9.601 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.397 12.377 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -20.810 11.348 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.277 9.158 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.532 8.837 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.121 10.321 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.869 11.839 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.741 10.101 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.307 11.145 1.184 1.00 0.00 H new ATOM 704 N LEU A 53 -18.184 9.307 -4.307 1.00 0.00 N ATOM 705 CA LEU A 53 -17.376 8.430 -5.136 1.00 0.00 C ATOM 706 C LEU A 53 -16.503 9.275 -6.066 1.00 0.00 C ATOM 707 O LEU A 53 -15.283 9.125 -6.084 1.00 0.00 O ATOM 708 CB LEU A 53 -18.261 7.422 -5.872 1.00 0.00 C ATOM 709 CG LEU A 53 -18.492 6.087 -5.161 1.00 0.00 C ATOM 710 CD1 LEU A 53 -19.388 5.169 -5.995 1.00 0.00 C ATOM 711 CD2 LEU A 53 -17.162 5.419 -4.804 1.00 0.00 C ATOM 0 H LEU A 53 -19.190 9.220 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 53 -16.703 7.836 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -19.230 7.886 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -17.815 7.220 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -19.015 6.284 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -19.536 4.227 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -20.353 5.650 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -18.914 4.975 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -17.354 4.472 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.591 5.236 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.592 6.073 -4.144 1.00 0.00 H new ATOM 723 N GLY A 54 -17.163 10.145 -6.816 1.00 0.00 N ATOM 724 CA GLY A 54 -16.463 11.015 -7.746 1.00 0.00 C ATOM 725 C GLY A 54 -15.155 11.526 -7.139 1.00 0.00 C ATOM 726 O GLY A 54 -14.113 11.504 -7.792 1.00 0.00 O ATOM 0 H GLY A 54 -18.176 10.266 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.253 10.474 -8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -17.100 11.859 -8.010 1.00 0.00 H new ATOM 730 N LYS A 55 -15.252 11.976 -5.896 1.00 0.00 N ATOM 731 CA LYS A 55 -14.090 12.492 -5.194 1.00 0.00 C ATOM 732 C LYS A 55 -13.018 11.402 -5.120 1.00 0.00 C ATOM 733 O LYS A 55 -11.844 11.663 -5.375 1.00 0.00 O ATOM 734 CB LYS A 55 -14.493 13.051 -3.829 1.00 0.00 C ATOM 735 CG LYS A 55 -15.114 14.443 -3.968 1.00 0.00 C ATOM 736 CD LYS A 55 -14.861 15.284 -2.715 1.00 0.00 C ATOM 737 CE LYS A 55 -16.115 15.360 -1.843 1.00 0.00 C ATOM 738 NZ LYS A 55 -15.747 15.530 -0.419 1.00 0.00 N ATOM 0 H LYS A 55 -16.118 11.994 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.656 13.330 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.205 12.377 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.618 13.102 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.695 14.947 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.187 14.351 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.041 14.851 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.553 16.289 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.739 16.193 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.706 14.453 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.610 15.580 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.170 14.722 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.202 16.408 -0.304 1.00 0.00 H new ATOM 749 N ILE A 56 -13.462 10.204 -4.770 1.00 0.00 N ATOM 750 CA ILE A 56 -12.556 9.073 -4.659 1.00 0.00 C ATOM 751 C ILE A 56 -11.831 8.873 -5.991 1.00 0.00 C ATOM 752 O ILE A 56 -10.602 8.879 -6.041 1.00 0.00 O ATOM 753 CB ILE A 56 -13.306 7.831 -4.174 1.00 0.00 C ATOM 754 CG1 ILE A 56 -13.836 8.030 -2.753 1.00 0.00 C ATOM 755 CG2 ILE A 56 -12.430 6.582 -4.290 1.00 0.00 C ATOM 756 CD1 ILE A 56 -14.256 6.696 -2.133 1.00 0.00 C ATOM 0 H ILE A 56 -14.437 9.992 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.792 9.269 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 56 -14.170 7.679 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.067 8.496 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.687 8.711 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.987 5.713 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.144 6.433 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -11.534 6.708 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.629 6.866 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.042 6.245 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.397 6.026 -2.095 1.00 0.00 H new ATOM 768 N TRP A 57 -12.624 8.701 -7.039 1.00 0.00 N ATOM 769 CA TRP A 57 -12.073 8.500 -8.369 1.00 0.00 C ATOM 770 C TRP A 57 -11.095 9.642 -8.654 1.00 0.00 C ATOM 771 O TRP A 57 -9.939 9.403 -8.997 1.00 0.00 O ATOM 772 CB TRP A 57 -13.186 8.392 -9.413 1.00 0.00 C ATOM 773 CG TRP A 57 -12.717 7.868 -10.771 1.00 0.00 C ATOM 774 CD1 TRP A 57 -12.042 8.528 -11.722 1.00 0.00 C ATOM 775 CD2 TRP A 57 -12.915 6.537 -11.295 1.00 0.00 C ATOM 776 NE1 TRP A 57 -11.793 7.725 -12.816 1.00 0.00 N ATOM 777 CE2 TRP A 57 -12.340 6.476 -12.548 1.00 0.00 C ATOM 778 CE3 TRP A 57 -13.559 5.423 -10.728 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -12.351 5.322 -13.340 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -13.561 4.278 -11.533 1.00 0.00 C ATOM 781 CH2 TRP A 57 -12.987 4.199 -12.796 1.00 0.00 C ATOM 0 H TRP A 57 -13.643 8.697 -6.994 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.531 7.556 -8.423 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -13.966 7.733 -9.031 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.638 9.374 -9.551 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.732 9.559 -11.642 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.298 7.998 -13.665 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -14.016 5.449 -9.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -11.894 5.299 -14.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.043 3.393 -11.145 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -13.031 3.276 -13.355 1.00 0.00 H new ATOM 792 N ASP A 58 -11.596 10.859 -8.500 1.00 0.00 N ATOM 793 CA ASP A 58 -10.781 12.039 -8.737 1.00 0.00 C ATOM 794 C ASP A 58 -9.457 11.898 -7.984 1.00 0.00 C ATOM 795 O ASP A 58 -8.455 12.500 -8.365 1.00 0.00 O ATOM 796 CB ASP A 58 -11.481 13.302 -8.230 1.00 0.00 C ATOM 797 CG ASP A 58 -11.425 14.498 -9.183 1.00 0.00 C ATOM 798 OD1 ASP A 58 -12.347 14.721 -9.982 1.00 0.00 O ATOM 799 OD2 ASP A 58 -10.366 15.227 -9.081 1.00 0.00 O ATOM 0 H ASP A 58 -12.556 11.054 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.615 12.125 -9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.526 13.065 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.032 13.592 -7.280 1.00 0.00 H new ATOM 805 N LEU A 59 -9.495 11.098 -6.928 1.00 0.00 N ATOM 806 CA LEU A 59 -8.310 10.870 -6.119 1.00 0.00 C ATOM 807 C LEU A 59 -7.602 9.604 -6.604 1.00 0.00 C ATOM 808 O LEU A 59 -6.388 9.473 -6.457 1.00 0.00 O ATOM 809 CB LEU A 59 -8.674 10.839 -4.633 1.00 0.00 C ATOM 810 CG LEU A 59 -7.556 10.421 -3.677 1.00 0.00 C ATOM 811 CD1 LEU A 59 -7.457 8.897 -3.581 1.00 0.00 C ATOM 812 CD2 LEU A 59 -6.224 11.057 -4.079 1.00 0.00 C ATOM 0 H LEU A 59 -10.328 10.600 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.606 11.694 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.020 11.831 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.513 10.157 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.802 10.791 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.654 8.627 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.400 8.494 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.246 8.483 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.446 10.743 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.958 10.739 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.317 12.143 -4.054 1.00 0.00 H new ATOM 824 N ALA A 60 -8.390 8.705 -7.174 1.00 0.00 N ATOM 825 CA ALA A 60 -7.853 7.454 -7.683 1.00 0.00 C ATOM 826 C ALA A 60 -7.181 7.705 -9.034 1.00 0.00 C ATOM 827 O ALA A 60 -5.983 7.468 -9.189 1.00 0.00 O ATOM 828 CB ALA A 60 -8.974 6.416 -7.773 1.00 0.00 C ATOM 0 H ALA A 60 -9.397 8.818 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.096 7.058 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.571 5.478 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.399 6.252 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.752 6.778 -8.446 1.00 0.00 H new ATOM 834 N ASP A 61 -7.980 8.180 -9.978 1.00 0.00 N ATOM 835 CA ASP A 61 -7.477 8.465 -11.311 1.00 0.00 C ATOM 836 C ASP A 61 -6.073 9.064 -11.204 1.00 0.00 C ATOM 837 O ASP A 61 -5.859 10.026 -10.469 1.00 0.00 O ATOM 838 CB ASP A 61 -8.369 9.478 -12.031 1.00 0.00 C ATOM 839 CG ASP A 61 -7.780 10.057 -13.319 1.00 0.00 C ATOM 840 OD1 ASP A 61 -7.074 11.077 -13.296 1.00 0.00 O ATOM 841 OD2 ASP A 61 -8.077 9.409 -14.394 1.00 0.00 O ATOM 0 H ASP A 61 -8.973 8.375 -9.846 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.464 7.531 -11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.320 9.000 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.586 10.299 -11.347 1.00 0.00 H new ATOM 847 N THR A 62 -5.153 8.469 -11.949 1.00 0.00 N ATOM 848 CA THR A 62 -3.775 8.932 -11.948 1.00 0.00 C ATOM 849 C THR A 62 -3.170 8.809 -13.348 1.00 0.00 C ATOM 850 O THR A 62 -2.519 9.735 -13.829 1.00 0.00 O ATOM 851 CB THR A 62 -3.012 8.140 -10.884 1.00 0.00 C ATOM 852 OG1 THR A 62 -3.449 8.705 -9.651 1.00 0.00 O ATOM 853 CG2 THR A 62 -1.508 8.422 -10.911 1.00 0.00 C ATOM 0 H THR A 62 -5.334 7.671 -12.557 1.00 0.00 H new ATOM 0 HA THR A 62 -3.713 9.990 -11.694 1.00 0.00 H new ATOM 0 HB THR A 62 -3.184 7.074 -11.032 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.285 8.276 -9.372 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.014 7.835 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.104 8.150 -11.886 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.333 9.482 -10.729 1.00 0.00 H new ATOM 861 N ASP A 63 -3.407 7.659 -13.961 1.00 0.00 N ATOM 862 CA ASP A 63 -2.893 7.403 -15.296 1.00 0.00 C ATOM 863 C ASP A 63 -3.288 8.558 -16.219 1.00 0.00 C ATOM 864 O ASP A 63 -2.474 9.030 -17.011 1.00 0.00 O ATOM 865 CB ASP A 63 -3.479 6.114 -15.874 1.00 0.00 C ATOM 866 CG ASP A 63 -2.962 5.734 -17.263 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.157 6.471 -18.241 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.325 4.614 -17.320 1.00 0.00 O ATOM 0 H ASP A 63 -3.948 6.894 -13.558 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.809 7.307 -15.228 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.265 5.295 -15.187 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.563 6.215 -15.922 1.00 0.00 H new ATOM 874 N GLY A 64 -4.537 8.978 -16.087 1.00 0.00 N ATOM 875 CA GLY A 64 -5.050 10.068 -16.900 1.00 0.00 C ATOM 876 C GLY A 64 -6.181 9.588 -17.812 1.00 0.00 C ATOM 877 O GLY A 64 -7.330 9.993 -17.647 1.00 0.00 O ATOM 0 H GLY A 64 -5.209 8.583 -15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.413 10.868 -16.255 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.244 10.486 -17.503 1.00 0.00 H new ATOM 881 N LYS A 65 -5.815 8.731 -18.753 1.00 0.00 N ATOM 882 CA LYS A 65 -6.784 8.191 -19.691 1.00 0.00 C ATOM 883 C LYS A 65 -8.074 7.848 -18.944 1.00 0.00 C ATOM 884 O LYS A 65 -9.067 8.567 -19.048 1.00 0.00 O ATOM 885 CB LYS A 65 -6.186 7.011 -20.460 1.00 0.00 C ATOM 886 CG LYS A 65 -7.092 6.598 -21.622 1.00 0.00 C ATOM 887 CD LYS A 65 -7.316 5.085 -21.632 1.00 0.00 C ATOM 888 CE LYS A 65 -7.035 4.497 -23.016 1.00 0.00 C ATOM 889 NZ LYS A 65 -8.106 4.872 -23.966 1.00 0.00 N ATOM 0 H LYS A 65 -4.860 8.397 -18.886 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.040 8.936 -20.445 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.201 7.282 -20.841 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.046 6.166 -19.786 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.051 7.111 -21.540 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.644 6.909 -22.566 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.667 4.613 -20.894 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.343 4.864 -21.341 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.074 4.857 -23.382 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.964 3.411 -22.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.900 4.465 -24.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.018 4.507 -23.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.155 5.908 -24.043 1.00 0.00 H new ATOM 900 N GLY A 66 -8.019 6.748 -18.207 1.00 0.00 N ATOM 901 CA GLY A 66 -9.171 6.301 -17.442 1.00 0.00 C ATOM 902 C GLY A 66 -8.928 4.912 -16.847 1.00 0.00 C ATOM 903 O GLY A 66 -9.196 4.683 -15.669 1.00 0.00 O ATOM 0 H GLY A 66 -7.195 6.153 -18.123 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.379 7.012 -16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.051 6.277 -18.084 1.00 0.00 H new ATOM 907 N VAL A 67 -8.423 4.023 -17.689 1.00 0.00 N ATOM 908 CA VAL A 67 -8.142 2.663 -17.261 1.00 0.00 C ATOM 909 C VAL A 67 -7.529 2.691 -15.859 1.00 0.00 C ATOM 910 O VAL A 67 -6.801 3.620 -15.514 1.00 0.00 O ATOM 911 CB VAL A 67 -7.249 1.965 -18.290 1.00 0.00 C ATOM 912 CG1 VAL A 67 -7.009 0.504 -17.905 1.00 0.00 C ATOM 913 CG2 VAL A 67 -7.845 2.072 -19.695 1.00 0.00 C ATOM 0 H VAL A 67 -8.201 4.218 -18.665 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.063 2.083 -17.202 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.284 2.472 -18.297 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.372 0.031 -18.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.521 0.460 -16.931 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.963 -0.021 -17.857 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.191 1.568 -20.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.828 1.602 -19.710 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.941 3.122 -19.971 1.00 0.00 H new ATOM 923 N LEU A 68 -7.848 1.661 -15.089 1.00 0.00 N ATOM 924 CA LEU A 68 -7.338 1.555 -13.732 1.00 0.00 C ATOM 925 C LEU A 68 -6.167 0.571 -13.707 1.00 0.00 C ATOM 926 O LEU A 68 -5.852 -0.050 -14.721 1.00 0.00 O ATOM 927 CB LEU A 68 -8.466 1.195 -12.763 1.00 0.00 C ATOM 928 CG LEU A 68 -9.732 2.048 -12.860 1.00 0.00 C ATOM 929 CD1 LEU A 68 -10.720 1.690 -11.748 1.00 0.00 C ATOM 930 CD2 LEU A 68 -9.389 3.539 -12.864 1.00 0.00 C ATOM 0 H LEU A 68 -8.453 0.893 -15.379 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.953 2.517 -13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.741 0.153 -12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.081 1.266 -11.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.221 1.828 -13.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.611 2.311 -11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.999 0.640 -11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.255 1.864 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.307 4.123 -12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.865 3.794 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.750 3.763 -13.718 1.00 0.00 H new ATOM 942 N SER A 69 -5.554 0.459 -12.538 1.00 0.00 N ATOM 943 CA SER A 69 -4.425 -0.439 -12.367 1.00 0.00 C ATOM 944 C SER A 69 -4.600 -1.263 -11.090 1.00 0.00 C ATOM 945 O SER A 69 -5.688 -1.304 -10.518 1.00 0.00 O ATOM 946 CB SER A 69 -3.107 0.336 -12.322 1.00 0.00 C ATOM 947 OG SER A 69 -3.020 1.303 -13.365 1.00 0.00 O ATOM 0 H SER A 69 -5.818 0.976 -11.699 1.00 0.00 H new ATOM 0 HA SER A 69 -4.391 -1.112 -13.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.012 0.834 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.273 -0.361 -12.404 1.00 0.00 H new ATOM 0 HG SER A 69 -2.165 1.778 -13.301 1.00 0.00 H new ATOM 953 N LYS A 70 -3.513 -1.900 -10.681 1.00 0.00 N ATOM 954 CA LYS A 70 -3.533 -2.721 -9.482 1.00 0.00 C ATOM 955 C LYS A 70 -3.797 -1.832 -8.265 1.00 0.00 C ATOM 956 O LYS A 70 -4.949 -1.592 -7.906 1.00 0.00 O ATOM 957 CB LYS A 70 -2.247 -3.544 -9.375 1.00 0.00 C ATOM 958 CG LYS A 70 -2.127 -4.528 -10.540 1.00 0.00 C ATOM 959 CD LYS A 70 -0.699 -5.061 -10.663 1.00 0.00 C ATOM 960 CE LYS A 70 -0.689 -6.588 -10.753 1.00 0.00 C ATOM 961 NZ LYS A 70 0.603 -7.068 -11.291 1.00 0.00 N ATOM 0 H LYS A 70 -2.612 -1.864 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.345 -3.446 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.384 -2.878 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.238 -4.089 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.817 -5.358 -10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.416 -4.035 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.224 -4.638 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.112 -4.740 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.860 -7.017 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.504 -6.926 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.592 -8.107 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.751 -6.673 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.375 -6.762 -10.665 1.00 0.00 H new ATOM 972 N GLN A 71 -2.711 -1.368 -7.664 1.00 0.00 N ATOM 973 CA GLN A 71 -2.811 -0.511 -6.495 1.00 0.00 C ATOM 974 C GLN A 71 -3.957 0.488 -6.666 1.00 0.00 C ATOM 975 O GLN A 71 -4.808 0.619 -5.788 1.00 0.00 O ATOM 976 CB GLN A 71 -1.489 0.210 -6.229 1.00 0.00 C ATOM 977 CG GLN A 71 -1.021 -0.015 -4.790 1.00 0.00 C ATOM 978 CD GLN A 71 -0.917 1.311 -4.033 1.00 0.00 C ATOM 979 OE1 GLN A 71 -1.112 2.384 -4.580 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.599 1.177 -2.749 1.00 0.00 N ATOM 0 H GLN A 71 -1.757 -1.569 -7.965 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.026 -1.135 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.729 -0.149 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.610 1.278 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.718 -0.677 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.051 -0.513 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.449 0.248 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.505 2.003 -2.158 1.00 0.00 H new ATOM 989 N GLU A 72 -3.941 1.169 -7.803 1.00 0.00 N ATOM 990 CA GLU A 72 -4.968 2.153 -8.101 1.00 0.00 C ATOM 991 C GLU A 72 -6.338 1.644 -7.647 1.00 0.00 C ATOM 992 O GLU A 72 -6.902 2.151 -6.678 1.00 0.00 O ATOM 993 CB GLU A 72 -4.978 2.501 -9.590 1.00 0.00 C ATOM 994 CG GLU A 72 -4.019 3.655 -9.890 1.00 0.00 C ATOM 995 CD GLU A 72 -4.549 4.526 -11.031 1.00 0.00 C ATOM 996 OE1 GLU A 72 -5.655 5.078 -10.928 1.00 0.00 O ATOM 997 OE2 GLU A 72 -3.767 4.621 -12.053 1.00 0.00 O ATOM 0 H GLU A 72 -3.233 1.059 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.740 3.066 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.693 1.626 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.988 2.774 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.885 4.263 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.039 3.258 -10.155 1.00 0.00 H new ATOM 1005 N PHE A 73 -6.833 0.650 -8.369 1.00 0.00 N ATOM 1006 CA PHE A 73 -8.126 0.067 -8.053 1.00 0.00 C ATOM 1007 C PHE A 73 -8.128 -0.531 -6.644 1.00 0.00 C ATOM 1008 O PHE A 73 -9.152 -0.518 -5.962 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.374 -1.050 -9.068 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.591 -1.921 -8.751 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -9.456 -3.013 -7.952 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.808 -1.603 -9.268 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -10.586 -3.821 -7.657 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.938 -2.411 -8.974 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.802 -3.503 -8.174 1.00 0.00 C ATOM 0 H PHE A 73 -6.362 0.233 -9.172 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.900 0.834 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.505 -0.607 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.489 -1.685 -9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.489 -3.266 -7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.915 -0.736 -9.902 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.479 -4.688 -7.022 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.904 -2.159 -9.385 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.661 -4.118 -7.950 1.00 0.00 H new ATOM 1025 N PHE A 74 -6.971 -1.040 -6.250 1.00 0.00 N ATOM 1026 CA PHE A 74 -6.827 -1.642 -4.935 1.00 0.00 C ATOM 1027 C PHE A 74 -6.822 -0.573 -3.841 1.00 0.00 C ATOM 1028 O PHE A 74 -6.861 -0.894 -2.654 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.483 -2.373 -4.923 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.597 -3.887 -5.110 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -6.165 -4.393 -6.237 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.130 -4.728 -4.148 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.271 -5.798 -6.410 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -5.236 -6.134 -4.321 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.804 -6.639 -5.448 1.00 0.00 C ATOM 0 H PHE A 74 -6.124 -1.048 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.660 -2.318 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.853 -1.966 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.979 -2.171 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.536 -3.726 -7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.679 -4.327 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.722 -6.199 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.865 -6.802 -3.557 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.885 -7.708 -5.580 1.00 0.00 H new ATOM 1045 N VAL A 75 -6.774 0.677 -4.279 1.00 0.00 N ATOM 1046 CA VAL A 75 -6.764 1.795 -3.351 1.00 0.00 C ATOM 1047 C VAL A 75 -8.194 2.304 -3.156 1.00 0.00 C ATOM 1048 O VAL A 75 -8.734 2.240 -2.053 1.00 0.00 O ATOM 1049 CB VAL A 75 -5.807 2.880 -3.850 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -6.316 4.274 -3.477 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -4.392 2.651 -3.315 1.00 0.00 C ATOM 0 H VAL A 75 -6.742 0.940 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.396 1.478 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.768 2.818 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.618 5.026 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.295 4.437 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.399 4.353 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.732 3.436 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.407 2.673 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.028 1.681 -3.654 1.00 0.00 H new ATOM 1061 N ALA A 76 -8.767 2.796 -4.245 1.00 0.00 N ATOM 1062 CA ALA A 76 -10.123 3.315 -4.207 1.00 0.00 C ATOM 1063 C ALA A 76 -11.037 2.291 -3.531 1.00 0.00 C ATOM 1064 O ALA A 76 -12.058 2.655 -2.947 1.00 0.00 O ATOM 1065 CB ALA A 76 -10.579 3.656 -5.627 1.00 0.00 C ATOM 0 H ALA A 76 -8.317 2.846 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.167 4.233 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.597 4.045 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.914 4.408 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.551 2.758 -6.244 1.00 0.00 H new ATOM 1071 N LEU A 77 -10.639 1.032 -3.632 1.00 0.00 N ATOM 1072 CA LEU A 77 -11.410 -0.047 -3.038 1.00 0.00 C ATOM 1073 C LEU A 77 -11.557 0.205 -1.536 1.00 0.00 C ATOM 1074 O LEU A 77 -12.621 0.611 -1.072 1.00 0.00 O ATOM 1075 CB LEU A 77 -10.784 -1.402 -3.376 1.00 0.00 C ATOM 1076 CG LEU A 77 -11.716 -2.428 -4.024 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -10.980 -3.739 -4.302 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -12.971 -2.643 -3.175 1.00 0.00 C ATOM 0 H LEU A 77 -9.792 0.734 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.416 -0.073 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.940 -1.233 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.382 -1.833 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.043 -2.033 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.665 -4.450 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.145 -3.551 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.605 -4.151 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.616 -3.377 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.685 -3.006 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.507 -1.700 -3.073 1.00 0.00 H new ATOM 1090 N ARG A 78 -10.473 -0.047 -0.817 1.00 0.00 N ATOM 1091 CA ARG A 78 -10.468 0.147 0.623 1.00 0.00 C ATOM 1092 C ARG A 78 -10.853 1.588 0.966 1.00 0.00 C ATOM 1093 O ARG A 78 -11.548 1.831 1.951 1.00 0.00 O ATOM 1094 CB ARG A 78 -9.091 -0.160 1.215 1.00 0.00 C ATOM 1095 CG ARG A 78 -8.916 -1.662 1.447 1.00 0.00 C ATOM 1096 CD ARG A 78 -10.062 -2.223 2.291 1.00 0.00 C ATOM 1097 NE ARG A 78 -11.000 -2.980 1.432 1.00 0.00 N ATOM 1098 CZ ARG A 78 -11.741 -4.025 1.857 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -11.659 -4.447 3.137 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -12.547 -4.628 1.003 1.00 0.00 N ATOM 0 H ARG A 78 -9.592 -0.384 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.197 -0.540 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.313 0.201 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.969 0.374 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.878 -2.180 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.966 -1.848 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.666 -2.873 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.589 -1.410 2.790 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.092 -2.694 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.034 -3.975 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.222 -5.237 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.603 -4.303 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.114 -5.419 1.308 1.00 0.00 H new ATOM 1113 N LEU A 79 -10.384 2.506 0.133 1.00 0.00 N ATOM 1114 CA LEU A 79 -10.671 3.916 0.336 1.00 0.00 C ATOM 1115 C LEU A 79 -12.159 4.090 0.643 1.00 0.00 C ATOM 1116 O LEU A 79 -12.527 4.841 1.545 1.00 0.00 O ATOM 1117 CB LEU A 79 -10.189 4.738 -0.861 1.00 0.00 C ATOM 1118 CG LEU A 79 -9.738 6.168 -0.556 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -9.075 6.806 -1.777 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -10.903 7.009 -0.030 1.00 0.00 C ATOM 0 H LEU A 79 -9.808 2.301 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.121 4.297 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.359 4.209 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.994 4.781 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.987 6.129 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.764 7.822 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.203 6.219 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.785 6.833 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.556 8.021 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.694 7.044 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.290 6.562 0.886 1.00 0.00 H new ATOM 1132 N VAL A 80 -12.976 3.384 -0.125 1.00 0.00 N ATOM 1133 CA VAL A 80 -14.416 3.451 0.053 1.00 0.00 C ATOM 1134 C VAL A 80 -14.768 3.040 1.484 1.00 0.00 C ATOM 1135 O VAL A 80 -15.583 3.689 2.138 1.00 0.00 O ATOM 1136 CB VAL A 80 -15.115 2.594 -1.004 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -16.521 2.198 -0.548 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -15.160 3.316 -2.353 1.00 0.00 C ATOM 0 H VAL A 80 -12.667 2.762 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.771 4.472 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.534 1.680 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.995 1.589 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.456 1.626 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.115 3.096 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.662 2.685 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.706 4.253 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.144 3.524 -2.688 1.00 0.00 H new ATOM 1148 N ALA A 81 -14.136 1.963 1.929 1.00 0.00 N ATOM 1149 CA ALA A 81 -14.373 1.458 3.270 1.00 0.00 C ATOM 1150 C ALA A 81 -14.052 2.554 4.288 1.00 0.00 C ATOM 1151 O ALA A 81 -14.554 2.530 5.411 1.00 0.00 O ATOM 1152 CB ALA A 81 -13.540 0.193 3.494 1.00 0.00 C ATOM 0 H ALA A 81 -13.461 1.427 1.384 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.421 1.186 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -13.718 -0.186 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.826 -0.565 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.482 0.428 3.376 1.00 0.00 H new ATOM 1158 N CYS A 82 -13.217 3.489 3.859 1.00 0.00 N ATOM 1159 CA CYS A 82 -12.823 4.593 4.719 1.00 0.00 C ATOM 1160 C CYS A 82 -14.032 5.513 4.904 1.00 0.00 C ATOM 1161 O CYS A 82 -14.530 5.672 6.017 1.00 0.00 O ATOM 1162 CB CYS A 82 -11.615 5.344 4.157 1.00 0.00 C ATOM 1163 SG CYS A 82 -10.394 5.648 5.486 1.00 0.00 S ATOM 0 H CYS A 82 -12.802 3.505 2.927 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.509 4.208 5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.156 4.764 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.935 6.291 3.722 1.00 0.00 H new ATOM 0 HG CYS A 82 -10.527 6.864 5.928 1.00 0.00 H new ATOM 1169 N ALA A 83 -14.468 6.094 3.796 1.00 0.00 N ATOM 1170 CA ALA A 83 -15.608 6.994 3.821 1.00 0.00 C ATOM 1171 C ALA A 83 -16.812 6.267 4.425 1.00 0.00 C ATOM 1172 O ALA A 83 -17.763 6.903 4.876 1.00 0.00 O ATOM 1173 CB ALA A 83 -15.886 7.507 2.407 1.00 0.00 C ATOM 0 H ALA A 83 -14.052 5.959 2.875 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.398 7.862 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.741 8.182 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.011 8.040 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -16.104 6.665 1.751 1.00 0.00 H new ATOM 1179 N GLN A 84 -16.732 4.945 4.412 1.00 0.00 N ATOM 1180 CA GLN A 84 -17.803 4.125 4.952 1.00 0.00 C ATOM 1181 C GLN A 84 -17.840 4.237 6.478 1.00 0.00 C ATOM 1182 O GLN A 84 -18.740 3.701 7.122 1.00 0.00 O ATOM 1183 CB GLN A 84 -17.652 2.667 4.514 1.00 0.00 C ATOM 1184 CG GLN A 84 -17.901 2.518 3.012 1.00 0.00 C ATOM 1185 CD GLN A 84 -19.132 1.649 2.744 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -20.030 2.011 2.001 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -19.124 0.485 3.388 1.00 0.00 N ATOM 0 H GLN A 84 -15.942 4.421 4.036 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.750 4.493 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.650 2.312 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -18.354 2.043 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.041 3.502 2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.027 2.073 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.341 0.243 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -19.901 -0.166 3.275 1.00 0.00 H new ATOM 1196 N ASN A 85 -16.850 4.938 7.012 1.00 0.00 N ATOM 1197 CA ASN A 85 -16.758 5.128 8.449 1.00 0.00 C ATOM 1198 C ASN A 85 -17.111 6.577 8.792 1.00 0.00 C ATOM 1199 O ASN A 85 -17.381 6.897 9.948 1.00 0.00 O ATOM 1200 CB ASN A 85 -15.339 4.855 8.951 1.00 0.00 C ATOM 1201 CG ASN A 85 -15.339 4.530 10.446 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -16.262 3.937 10.979 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -14.254 4.950 11.091 1.00 0.00 N ATOM 0 H ASN A 85 -16.105 5.381 6.475 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.449 4.433 8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.906 4.024 8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.710 5.725 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.159 4.781 12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.517 5.441 10.584 1.00 0.00 H new ATOM 1210 N GLY A 86 -17.097 7.414 7.765 1.00 0.00 N ATOM 1211 CA GLY A 86 -17.412 8.821 7.943 1.00 0.00 C ATOM 1212 C GLY A 86 -16.152 9.683 7.836 1.00 0.00 C ATOM 1213 O GLY A 86 -16.210 10.899 8.015 1.00 0.00 O ATOM 0 H GLY A 86 -16.873 7.145 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.136 9.133 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.879 8.972 8.916 1.00 0.00 H new ATOM 1217 N LEU A 87 -15.043 9.019 7.544 1.00 0.00 N ATOM 1218 CA LEU A 87 -13.771 9.709 7.411 1.00 0.00 C ATOM 1219 C LEU A 87 -13.703 10.383 6.039 1.00 0.00 C ATOM 1220 O LEU A 87 -14.589 10.196 5.207 1.00 0.00 O ATOM 1221 CB LEU A 87 -12.610 8.750 7.683 1.00 0.00 C ATOM 1222 CG LEU A 87 -12.711 7.923 8.966 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -11.876 6.645 8.861 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -12.329 8.758 10.189 1.00 0.00 C ATOM 0 H LEU A 87 -14.999 8.011 7.396 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.685 10.497 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.524 8.066 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.687 9.329 7.719 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.750 7.620 9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.965 6.075 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.236 6.042 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.831 6.906 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.410 8.146 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.304 9.112 10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.001 9.612 10.271 1.00 0.00 H new ATOM 1236 N GLU A 88 -12.643 11.154 5.846 1.00 0.00 N ATOM 1237 CA GLU A 88 -12.447 11.857 4.589 1.00 0.00 C ATOM 1238 C GLU A 88 -12.595 10.891 3.412 1.00 0.00 C ATOM 1239 O GLU A 88 -12.646 9.677 3.603 1.00 0.00 O ATOM 1240 CB GLU A 88 -11.086 12.556 4.558 1.00 0.00 C ATOM 1241 CG GLU A 88 -11.176 13.899 3.830 1.00 0.00 C ATOM 1242 CD GLU A 88 -10.517 15.011 4.649 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -11.219 15.841 5.245 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -9.227 14.992 4.654 1.00 0.00 O ATOM 0 H GLU A 88 -11.911 11.308 6.539 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.215 12.626 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.731 12.713 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.356 11.917 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.691 13.823 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.221 14.148 3.646 1.00 0.00 H new ATOM 1252 N VAL A 89 -12.661 11.466 2.220 1.00 0.00 N ATOM 1253 CA VAL A 89 -12.802 10.672 1.012 1.00 0.00 C ATOM 1254 C VAL A 89 -11.478 10.678 0.245 1.00 0.00 C ATOM 1255 O VAL A 89 -11.364 10.055 -0.809 1.00 0.00 O ATOM 1256 CB VAL A 89 -13.977 11.189 0.180 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -14.250 10.270 -1.012 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -15.229 11.354 1.043 1.00 0.00 C ATOM 0 H VAL A 89 -12.619 12.473 2.065 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.029 9.635 1.261 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.707 12.171 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -15.090 10.660 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.365 10.225 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.490 9.269 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.049 11.723 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -15.503 10.391 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.028 12.066 1.844 1.00 0.00 H new ATOM 1268 N SER A 90 -10.510 11.388 0.805 1.00 0.00 N ATOM 1269 CA SER A 90 -9.198 11.484 0.187 1.00 0.00 C ATOM 1270 C SER A 90 -8.262 10.429 0.781 1.00 0.00 C ATOM 1271 O SER A 90 -8.560 9.844 1.821 1.00 0.00 O ATOM 1272 CB SER A 90 -8.605 12.882 0.367 1.00 0.00 C ATOM 1273 OG SER A 90 -9.096 13.800 -0.606 1.00 0.00 O ATOM 0 H SER A 90 -10.608 11.903 1.680 1.00 0.00 H new ATOM 0 HA SER A 90 -9.309 11.302 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.842 13.250 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.519 12.827 0.297 1.00 0.00 H new ATOM 0 HG SER A 90 -8.695 14.681 -0.456 1.00 0.00 H new ATOM 1279 N LEU A 91 -7.148 10.219 0.094 1.00 0.00 N ATOM 1280 CA LEU A 91 -6.167 9.245 0.541 1.00 0.00 C ATOM 1281 C LEU A 91 -5.713 9.598 1.959 1.00 0.00 C ATOM 1282 O LEU A 91 -5.169 8.753 2.668 1.00 0.00 O ATOM 1283 CB LEU A 91 -5.018 9.142 -0.465 1.00 0.00 C ATOM 1284 CG LEU A 91 -5.001 7.886 -1.338 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -3.801 7.894 -2.287 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -5.045 6.621 -0.479 1.00 0.00 C ATOM 0 H LEU A 91 -6.904 10.706 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.611 8.251 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.054 10.014 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.077 9.193 0.082 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.899 7.887 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.813 6.990 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.855 8.769 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.879 7.929 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.032 5.742 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.178 6.599 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.956 6.619 0.119 1.00 0.00 H new ATOM 1298 N SER A 92 -5.955 10.847 2.329 1.00 0.00 N ATOM 1299 CA SER A 92 -5.578 11.322 3.650 1.00 0.00 C ATOM 1300 C SER A 92 -6.422 10.624 4.718 1.00 0.00 C ATOM 1301 O SER A 92 -6.175 10.784 5.912 1.00 0.00 O ATOM 1302 CB SER A 92 -5.737 12.840 3.755 1.00 0.00 C ATOM 1303 OG SER A 92 -4.523 13.478 4.142 1.00 0.00 O ATOM 0 H SER A 92 -6.407 11.544 1.738 1.00 0.00 H new ATOM 0 HA SER A 92 -4.527 11.082 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.065 13.237 2.795 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.517 13.074 4.480 1.00 0.00 H new ATOM 0 HG SER A 92 -4.665 14.446 4.196 1.00 0.00 H new ATOM 1309 N SER A 93 -7.402 9.865 4.249 1.00 0.00 N ATOM 1310 CA SER A 93 -8.284 9.142 5.149 1.00 0.00 C ATOM 1311 C SER A 93 -7.785 7.707 5.332 1.00 0.00 C ATOM 1312 O SER A 93 -8.120 7.050 6.316 1.00 0.00 O ATOM 1313 CB SER A 93 -9.722 9.140 4.627 1.00 0.00 C ATOM 1314 OG SER A 93 -10.675 9.205 5.685 1.00 0.00 O ATOM 0 H SER A 93 -7.604 9.735 3.258 1.00 0.00 H new ATOM 0 HA SER A 93 -8.276 9.648 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.866 9.988 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.893 8.238 4.040 1.00 0.00 H new ATOM 0 HG SER A 93 -10.468 9.967 6.265 1.00 0.00 H new ATOM 1320 N LEU A 94 -6.991 7.264 4.368 1.00 0.00 N ATOM 1321 CA LEU A 94 -6.441 5.919 4.411 1.00 0.00 C ATOM 1322 C LEU A 94 -5.276 5.880 5.401 1.00 0.00 C ATOM 1323 O LEU A 94 -4.952 6.890 6.024 1.00 0.00 O ATOM 1324 CB LEU A 94 -6.069 5.448 3.004 1.00 0.00 C ATOM 1325 CG LEU A 94 -7.156 4.689 2.240 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -6.600 4.086 0.949 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -7.814 3.632 3.130 1.00 0.00 C ATOM 0 H LEU A 94 -6.715 7.812 3.553 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.189 5.213 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.780 6.319 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.190 4.807 3.078 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.932 5.399 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.393 3.552 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.216 4.882 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.794 3.393 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.583 3.107 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.061 2.920 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.268 4.116 3.995 1.00 0.00 H new ATOM 1339 N SER A 95 -4.678 4.703 5.516 1.00 0.00 N ATOM 1340 CA SER A 95 -3.556 4.520 6.421 1.00 0.00 C ATOM 1341 C SER A 95 -4.045 4.528 7.870 1.00 0.00 C ATOM 1342 O SER A 95 -3.242 4.595 8.800 1.00 0.00 O ATOM 1343 CB SER A 95 -2.497 5.604 6.212 1.00 0.00 C ATOM 1344 OG SER A 95 -2.674 6.702 7.102 1.00 0.00 O ATOM 0 H SER A 95 -4.949 3.867 4.998 1.00 0.00 H new ATOM 0 HA SER A 95 -3.097 3.555 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.506 5.175 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.542 5.961 5.183 1.00 0.00 H new ATOM 0 HG SER A 95 -3.556 7.103 6.955 1.00 0.00 H new ATOM 1350 N LEU A 96 -5.360 4.458 8.018 1.00 0.00 N ATOM 1351 CA LEU A 96 -5.966 4.456 9.339 1.00 0.00 C ATOM 1352 C LEU A 96 -6.637 3.104 9.586 1.00 0.00 C ATOM 1353 O LEU A 96 -6.348 2.128 8.895 1.00 0.00 O ATOM 1354 CB LEU A 96 -6.910 5.650 9.497 1.00 0.00 C ATOM 1355 CG LEU A 96 -6.555 6.898 8.686 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -7.690 7.922 8.730 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -5.226 7.495 9.152 1.00 0.00 C ATOM 0 H LEU A 96 -6.023 4.402 7.245 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.203 4.578 10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.915 5.333 9.217 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.944 5.924 10.552 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.428 6.603 7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.412 8.799 8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.595 7.480 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.874 8.218 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.997 8.381 8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.300 7.771 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.432 6.759 9.025 1.00 0.00 H new ATOM 1369 N ALA A 97 -7.521 3.090 10.572 1.00 0.00 N ATOM 1370 CA ALA A 97 -8.237 1.873 10.919 1.00 0.00 C ATOM 1371 C ALA A 97 -9.548 1.816 10.132 1.00 0.00 C ATOM 1372 O ALA A 97 -10.622 1.691 10.718 1.00 0.00 O ATOM 1373 CB ALA A 97 -8.462 1.826 12.431 1.00 0.00 C ATOM 0 H ALA A 97 -7.758 3.902 11.142 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.652 0.994 10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.999 0.914 12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.500 1.839 12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.048 2.692 12.739 1.00 0.00 H new ATOM 1379 N VAL A 98 -9.416 1.910 8.817 1.00 0.00 N ATOM 1380 CA VAL A 98 -10.577 1.870 7.944 1.00 0.00 C ATOM 1381 C VAL A 98 -11.358 0.579 8.199 1.00 0.00 C ATOM 1382 O VAL A 98 -10.775 -0.503 8.253 1.00 0.00 O ATOM 1383 CB VAL A 98 -10.141 2.026 6.486 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -8.870 1.222 6.204 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -11.267 1.625 5.531 1.00 0.00 C ATOM 0 H VAL A 98 -8.523 2.014 8.335 1.00 0.00 H new ATOM 0 HA VAL A 98 -11.246 2.703 8.161 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.916 3.079 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.582 1.351 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.065 1.576 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.056 0.166 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.931 1.745 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.538 0.584 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.136 2.260 5.706 1.00 0.00 H new ATOM 1395 N PRO A 99 -12.700 0.740 8.354 1.00 0.00 N ATOM 1396 CA PRO A 99 -13.566 -0.399 8.602 1.00 0.00 C ATOM 1397 C PRO A 99 -13.777 -1.217 7.326 1.00 0.00 C ATOM 1398 O PRO A 99 -13.316 -0.829 6.254 1.00 0.00 O ATOM 1399 CB PRO A 99 -14.855 0.197 9.145 1.00 0.00 C ATOM 1400 CG PRO A 99 -14.836 1.664 8.745 1.00 0.00 C ATOM 1401 CD PRO A 99 -13.424 2.006 8.297 1.00 0.00 C ATOM 0 HA PRO A 99 -13.138 -1.105 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.726 -0.310 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.910 0.088 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -15.547 1.850 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -15.133 2.293 9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.418 2.421 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.971 2.751 8.951 1.00 0.00 H new ATOM 1409 N PRO A 100 -14.491 -2.362 7.489 1.00 0.00 N ATOM 1410 CA PRO A 100 -14.768 -3.238 6.363 1.00 0.00 C ATOM 1411 C PRO A 100 -15.855 -2.646 5.463 1.00 0.00 C ATOM 1412 O PRO A 100 -16.823 -2.065 5.952 1.00 0.00 O ATOM 1413 CB PRO A 100 -15.170 -4.565 6.986 1.00 0.00 C ATOM 1414 CG PRO A 100 -15.552 -4.252 8.423 1.00 0.00 C ATOM 1415 CD PRO A 100 -15.052 -2.853 8.744 1.00 0.00 C ATOM 0 HA PRO A 100 -13.907 -3.366 5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.006 -5.012 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.348 -5.280 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.633 -4.310 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.110 -4.981 9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -15.863 -2.213 9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.300 -2.873 9.533 1.00 0.00 H new ATOM 1423 N PRO A 101 -15.654 -2.820 4.129 1.00 0.00 N ATOM 1424 CA PRO A 101 -16.606 -2.310 3.157 1.00 0.00 C ATOM 1425 C PRO A 101 -17.865 -3.178 3.115 1.00 0.00 C ATOM 1426 O PRO A 101 -18.106 -3.974 4.022 1.00 0.00 O ATOM 1427 CB PRO A 101 -15.851 -2.296 1.838 1.00 0.00 C ATOM 1428 CG PRO A 101 -14.665 -3.227 2.026 1.00 0.00 C ATOM 1429 CD PRO A 101 -14.520 -3.503 3.514 1.00 0.00 C ATOM 0 HA PRO A 101 -16.967 -1.312 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.487 -2.635 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.520 -1.288 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.819 -4.157 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.756 -2.772 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.541 -4.573 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.573 -3.122 3.897 1.00 0.00 H new ATOM 1437 N ARG A 102 -18.637 -2.995 2.053 1.00 0.00 N ATOM 1438 CA ARG A 102 -19.865 -3.751 1.881 1.00 0.00 C ATOM 1439 C ARG A 102 -19.641 -4.915 0.914 1.00 0.00 C ATOM 1440 O ARG A 102 -20.289 -5.955 1.028 1.00 0.00 O ATOM 1441 CB ARG A 102 -20.989 -2.862 1.346 1.00 0.00 C ATOM 1442 CG ARG A 102 -22.322 -3.198 2.018 1.00 0.00 C ATOM 1443 CD ARG A 102 -23.346 -3.687 0.991 1.00 0.00 C ATOM 1444 NE ARG A 102 -24.686 -3.152 1.318 1.00 0.00 N ATOM 1445 CZ ARG A 102 -25.513 -3.692 2.238 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -25.144 -4.791 2.931 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -26.689 -3.131 2.449 1.00 0.00 N ATOM 0 H ARG A 102 -18.435 -2.334 1.303 1.00 0.00 H new ATOM 0 HA ARG A 102 -20.156 -4.137 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.743 -1.815 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -21.078 -2.992 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.168 -3.965 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.708 -2.316 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -23.052 -3.367 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.373 -4.777 0.982 1.00 0.00 H new ATOM 0 HE ARG A 102 -25.005 -2.323 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -24.234 -5.219 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.775 -5.192 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.961 -2.302 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -27.326 -3.526 3.141 1.00 0.00 H new ATOM 1460 N PHE A 103 -18.722 -4.702 -0.016 1.00 0.00 N ATOM 1461 CA PHE A 103 -18.405 -5.720 -1.003 1.00 0.00 C ATOM 1462 C PHE A 103 -18.421 -7.115 -0.375 1.00 0.00 C ATOM 1463 O PHE A 103 -18.330 -7.253 0.844 1.00 0.00 O ATOM 1464 CB PHE A 103 -16.995 -5.422 -1.516 1.00 0.00 C ATOM 1465 CG PHE A 103 -16.768 -3.957 -1.895 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -17.444 -3.413 -2.942 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -15.890 -3.199 -1.185 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -17.233 -2.053 -3.294 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -15.679 -1.839 -1.536 1.00 0.00 C ATOM 1470 CZ PHE A 103 -16.355 -1.295 -2.584 1.00 0.00 C ATOM 0 H PHE A 103 -18.186 -3.839 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 103 -19.142 -5.703 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -16.273 -5.704 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -16.796 -6.047 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -18.141 -4.015 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -15.353 -3.631 -0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -17.770 -1.621 -4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -14.982 -1.237 -0.971 1.00 0.00 H new ATOM 0 HZ PHE A 103 -16.194 -0.261 -2.852 1.00 0.00 H new ATOM 1480 N HIS A 104 -18.538 -8.116 -1.236 1.00 0.00 N ATOM 1481 CA HIS A 104 -18.568 -9.495 -0.781 1.00 0.00 C ATOM 1482 C HIS A 104 -17.207 -9.871 -0.194 1.00 0.00 C ATOM 1483 O HIS A 104 -16.169 -9.440 -0.695 1.00 0.00 O ATOM 1484 CB HIS A 104 -19.005 -10.430 -1.910 1.00 0.00 C ATOM 1485 CG HIS A 104 -19.956 -9.797 -2.899 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -19.540 -8.907 -3.874 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -21.304 -9.936 -3.053 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -20.599 -8.533 -4.576 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -21.691 -9.170 -4.066 1.00 0.00 N ATOM 0 H HIS A 104 -18.613 -7.999 -2.246 1.00 0.00 H new ATOM 0 HA HIS A 104 -19.309 -9.604 0.011 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.120 -10.777 -2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -19.481 -11.309 -1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -21.947 -10.563 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -20.598 -7.844 -5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.648 -9.074 -4.407 1.00 0.00 H new ATOM 1497 N ASP A 105 -17.254 -10.671 0.861 1.00 0.00 N ATOM 1498 CA ASP A 105 -16.037 -11.111 1.523 1.00 0.00 C ATOM 1499 C ASP A 105 -15.064 -9.934 1.624 1.00 0.00 C ATOM 1500 O ASP A 105 -15.474 -8.806 1.892 1.00 0.00 O ATOM 1501 CB ASP A 105 -15.351 -12.225 0.730 1.00 0.00 C ATOM 1502 CG ASP A 105 -13.839 -12.333 0.942 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -13.071 -11.457 0.518 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -13.452 -13.385 1.581 1.00 0.00 O ATOM 0 H ASP A 105 -18.116 -11.026 1.274 1.00 0.00 H new ATOM 0 HA ASP A 105 -16.306 -11.485 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.809 -13.177 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -15.544 -12.067 -0.331 1.00 0.00 H new