USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 725 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.824 K(o=-0.82,f=0.3) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0.302 (180deg=0.301) USER MOD Single : A 20 CYS SG : rot -150:sc= -7.57! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 172:sc= -4.14! USER MOD Single : A 59 SER OG : rot 68:sc= 1.14 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 161:sc= -0.0619 (180deg=-0.53) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.483 -10.360 3.083 1.00 0.00 N ATOM 60 CA GLY A 7 1.856 -9.977 1.732 1.00 0.00 C ATOM 61 C GLY A 7 0.875 -8.951 1.162 1.00 0.00 C ATOM 62 O GLY A 7 1.275 -7.855 0.770 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.863 -9.560 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.877 -10.860 1.093 1.00 0.00 H new ATOM 66 N LEU A 8 -0.391 -9.342 1.135 1.00 0.00 N ATOM 67 CA LEU A 8 -1.432 -8.469 0.619 1.00 0.00 C ATOM 68 C LEU A 8 -1.206 -7.049 1.140 1.00 0.00 C ATOM 69 O LEU A 8 -1.026 -6.118 0.356 1.00 0.00 O ATOM 70 CB LEU A 8 -2.816 -9.033 0.951 1.00 0.00 C ATOM 71 CG LEU A 8 -3.376 -10.059 -0.036 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.579 -10.793 0.560 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.711 -9.404 -1.377 1.00 0.00 C ATOM 0 H LEU A 8 -0.719 -10.251 1.462 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.384 -8.421 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.772 -9.494 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.518 -8.202 1.019 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.605 -10.806 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.958 -11.516 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.275 -11.312 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.363 -10.074 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.107 -10.155 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.456 -8.623 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.809 -8.966 -1.803 1.00 0.00 H new ATOM 85 N LYS A 9 -1.222 -6.927 2.459 1.00 0.00 N ATOM 86 CA LYS A 9 -1.021 -5.635 3.094 1.00 0.00 C ATOM 87 C LYS A 9 0.110 -4.892 2.380 1.00 0.00 C ATOM 88 O LYS A 9 -0.086 -3.781 1.888 1.00 0.00 O ATOM 89 CB LYS A 9 -0.791 -5.807 4.597 1.00 0.00 C ATOM 90 CG LYS A 9 -2.072 -5.520 5.383 1.00 0.00 C ATOM 91 CD LYS A 9 -1.974 -6.066 6.809 1.00 0.00 C ATOM 92 CE LYS A 9 -3.333 -6.569 7.298 1.00 0.00 C ATOM 93 NZ LYS A 9 -3.174 -7.817 8.078 1.00 0.00 N ATOM 0 H LYS A 9 -1.371 -7.701 3.106 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.916 -5.020 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.453 -6.823 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.001 -5.135 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.252 -4.445 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.924 -5.972 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.248 -6.879 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.609 -5.286 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.809 -5.806 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.990 -6.747 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.106 -8.145 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.739 -8.548 7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.565 -7.637 8.901 1.00 0.00 H new ATOM 107 N GLN A 10 1.268 -5.534 2.346 1.00 0.00 N ATOM 108 CA GLN A 10 2.430 -4.948 1.700 1.00 0.00 C ATOM 109 C GLN A 10 2.097 -4.557 0.259 1.00 0.00 C ATOM 110 O GLN A 10 2.335 -3.423 -0.152 1.00 0.00 O ATOM 111 CB GLN A 10 3.624 -5.903 1.747 1.00 0.00 C ATOM 112 CG GLN A 10 4.849 -5.221 2.360 1.00 0.00 C ATOM 113 CD GLN A 10 6.067 -5.354 1.444 1.00 0.00 C ATOM 114 OE1 GLN A 10 7.043 -6.015 1.757 1.00 0.00 O ATOM 115 NE2 GLN A 10 5.956 -4.690 0.297 1.00 0.00 N ATOM 0 H GLN A 10 1.427 -6.455 2.755 1.00 0.00 H new ATOM 0 HA GLN A 10 2.707 -4.046 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.365 -6.786 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.860 -6.245 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.634 -4.167 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.069 -5.665 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.111 -4.155 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.716 -4.716 -0.383 1.00 0.00 H new ATOM 124 N LYS A 11 1.549 -5.519 -0.469 1.00 0.00 N ATOM 125 CA LYS A 11 1.180 -5.290 -1.856 1.00 0.00 C ATOM 126 C LYS A 11 0.235 -4.090 -1.936 1.00 0.00 C ATOM 127 O LYS A 11 0.527 -3.111 -2.621 1.00 0.00 O ATOM 128 CB LYS A 11 0.607 -6.567 -2.476 1.00 0.00 C ATOM 129 CG LYS A 11 1.662 -7.674 -2.525 1.00 0.00 C ATOM 130 CD LYS A 11 1.026 -9.047 -2.302 1.00 0.00 C ATOM 131 CE LYS A 11 1.927 -9.936 -1.442 1.00 0.00 C ATOM 132 NZ LYS A 11 2.891 -10.672 -2.291 1.00 0.00 N ATOM 0 H LYS A 11 1.352 -6.459 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 11 2.061 -5.043 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.252 -6.904 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.248 -6.357 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.168 -7.656 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.420 -7.492 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.057 -8.928 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.845 -9.528 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.465 -9.326 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.319 -10.642 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.495 -11.271 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.373 -11.269 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.483 -9.994 -2.812 1.00 0.00 H new ATOM 146 N VAL A 12 -0.878 -4.205 -1.226 1.00 0.00 N ATOM 147 CA VAL A 12 -1.867 -3.141 -1.209 1.00 0.00 C ATOM 148 C VAL A 12 -1.217 -1.854 -0.697 1.00 0.00 C ATOM 149 O VAL A 12 -1.649 -0.756 -1.045 1.00 0.00 O ATOM 150 CB VAL A 12 -3.080 -3.568 -0.380 1.00 0.00 C ATOM 151 CG1 VAL A 12 -4.098 -2.431 -0.271 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.725 -4.828 -0.961 1.00 0.00 C ATOM 0 H VAL A 12 -1.116 -5.018 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.232 -2.942 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.732 -3.803 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.950 -2.761 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.632 -1.570 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.438 -2.150 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.585 -5.110 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.051 -4.632 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.999 -5.641 -0.962 1.00 0.00 H new ATOM 162 N GLU A 13 -0.189 -2.032 0.119 1.00 0.00 N ATOM 163 CA GLU A 13 0.525 -0.899 0.682 1.00 0.00 C ATOM 164 C GLU A 13 1.219 -0.105 -0.427 1.00 0.00 C ATOM 165 O GLU A 13 0.830 1.022 -0.726 1.00 0.00 O ATOM 166 CB GLU A 13 1.530 -1.355 1.741 1.00 0.00 C ATOM 167 CG GLU A 13 1.058 -0.973 3.146 1.00 0.00 C ATOM 168 CD GLU A 13 2.001 0.050 3.782 1.00 0.00 C ATOM 169 OE1 GLU A 13 2.397 0.987 3.055 1.00 0.00 O ATOM 170 OE2 GLU A 13 2.305 -0.127 4.981 1.00 0.00 O ATOM 0 H GLU A 13 0.167 -2.944 0.404 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.198 -0.246 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.664 -2.435 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.502 -0.902 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.050 -0.561 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.007 -1.864 3.771 1.00 0.00 H new ATOM 177 N ASN A 14 2.236 -0.726 -1.007 1.00 0.00 N ATOM 178 CA ASN A 14 2.988 -0.092 -2.076 1.00 0.00 C ATOM 179 C ASN A 14 2.020 0.393 -3.157 1.00 0.00 C ATOM 180 O ASN A 14 2.247 1.430 -3.778 1.00 0.00 O ATOM 181 CB ASN A 14 3.963 -1.078 -2.723 1.00 0.00 C ATOM 182 CG ASN A 14 5.370 -0.918 -2.143 1.00 0.00 C ATOM 183 OD1 ASN A 14 6.177 -0.132 -2.610 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.618 -1.706 -1.101 1.00 0.00 N ATOM 0 H ASN A 14 2.556 -1.661 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 14 3.547 0.740 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.614 -2.098 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.989 -0.915 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.529 -1.674 -0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.897 -2.342 -0.760 1.00 0.00 H new ATOM 191 N LEU A 15 0.961 -0.380 -3.348 1.00 0.00 N ATOM 192 CA LEU A 15 -0.042 -0.042 -4.343 1.00 0.00 C ATOM 193 C LEU A 15 -0.455 1.421 -4.169 1.00 0.00 C ATOM 194 O LEU A 15 -0.317 2.223 -5.091 1.00 0.00 O ATOM 195 CB LEU A 15 -1.214 -1.023 -4.277 1.00 0.00 C ATOM 196 CG LEU A 15 -2.573 -0.476 -4.719 1.00 0.00 C ATOM 197 CD1 LEU A 15 -2.535 -0.030 -6.182 1.00 0.00 C ATOM 198 CD2 LEU A 15 -3.685 -1.495 -4.459 1.00 0.00 C ATOM 0 H LEU A 15 0.776 -1.239 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 15 0.370 -0.140 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.974 -1.887 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.305 -1.381 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.798 0.406 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.513 0.354 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.787 0.753 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.278 -0.879 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.640 -1.081 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.478 -2.409 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.729 -1.721 -3.394 1.00 0.00 H new ATOM 210 N PHE A 16 -0.952 1.725 -2.979 1.00 0.00 N ATOM 211 CA PHE A 16 -1.385 3.077 -2.671 1.00 0.00 C ATOM 212 C PHE A 16 -0.246 4.078 -2.878 1.00 0.00 C ATOM 213 O PHE A 16 -0.431 5.110 -3.521 1.00 0.00 O ATOM 214 CB PHE A 16 -1.800 3.090 -1.199 1.00 0.00 C ATOM 215 CG PHE A 16 -3.027 2.230 -0.890 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.102 2.256 -1.722 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.042 1.440 0.217 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.241 1.457 -1.435 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.181 0.642 0.504 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.256 0.667 -0.328 1.00 0.00 C ATOM 0 H PHE A 16 -1.064 1.057 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.207 3.363 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.963 2.742 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.005 4.118 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.090 2.884 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.188 1.420 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.095 1.477 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.193 0.015 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.122 0.060 -0.110 1.00 0.00 H new ATOM 230 N ASN A 17 0.906 3.737 -2.320 1.00 0.00 N ATOM 231 CA ASN A 17 2.075 4.593 -2.434 1.00 0.00 C ATOM 232 C ASN A 17 2.323 4.915 -3.909 1.00 0.00 C ATOM 233 O ASN A 17 2.277 6.076 -4.311 1.00 0.00 O ATOM 234 CB ASN A 17 3.322 3.898 -1.885 1.00 0.00 C ATOM 235 CG ASN A 17 3.309 3.875 -0.356 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.555 3.152 0.274 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.184 4.706 0.205 1.00 0.00 N ATOM 0 H ASN A 17 1.055 2.880 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 17 1.886 5.500 -1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.372 2.878 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.215 4.415 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.252 4.765 1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.786 5.284 -0.381 1.00 0.00 H new ATOM 244 N GLU A 18 2.582 3.865 -4.675 1.00 0.00 N ATOM 245 CA GLU A 18 2.838 4.022 -6.097 1.00 0.00 C ATOM 246 C GLU A 18 1.812 4.972 -6.720 1.00 0.00 C ATOM 247 O GLU A 18 2.177 6.005 -7.279 1.00 0.00 O ATOM 248 CB GLU A 18 2.832 2.667 -6.808 1.00 0.00 C ATOM 249 CG GLU A 18 4.245 2.265 -7.233 1.00 0.00 C ATOM 250 CD GLU A 18 4.401 2.336 -8.754 1.00 0.00 C ATOM 251 OE1 GLU A 18 4.063 3.404 -9.309 1.00 0.00 O ATOM 252 OE2 GLU A 18 4.855 1.322 -9.326 1.00 0.00 O ATOM 0 H GLU A 18 2.620 2.903 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 18 3.830 4.457 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.417 1.907 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.185 2.715 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.973 2.923 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.458 1.253 -6.889 1.00 0.00 H new ATOM 259 N LYS A 19 0.550 4.588 -6.602 1.00 0.00 N ATOM 260 CA LYS A 19 -0.531 5.393 -7.146 1.00 0.00 C ATOM 261 C LYS A 19 -0.334 6.852 -6.730 1.00 0.00 C ATOM 262 O LYS A 19 -0.485 7.760 -7.545 1.00 0.00 O ATOM 263 CB LYS A 19 -1.887 4.815 -6.738 1.00 0.00 C ATOM 264 CG LYS A 19 -2.061 3.392 -7.274 1.00 0.00 C ATOM 265 CD LYS A 19 -2.285 3.400 -8.787 1.00 0.00 C ATOM 266 CE LYS A 19 -3.777 3.324 -9.120 1.00 0.00 C ATOM 267 NZ LYS A 19 -4.245 4.603 -9.698 1.00 0.00 N ATOM 0 H LYS A 19 0.251 3.730 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.514 5.367 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.972 4.811 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.687 5.451 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.177 2.800 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.907 2.914 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.858 4.306 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.764 2.557 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.957 2.512 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.346 3.096 -8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.263 4.540 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.075 5.373 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.727 4.796 -10.579 1.00 0.00 H new ATOM 281 N CYS A 20 0.001 7.032 -5.460 1.00 0.00 N ATOM 282 CA CYS A 20 0.221 8.365 -4.926 1.00 0.00 C ATOM 283 C CYS A 20 1.053 9.157 -5.937 1.00 0.00 C ATOM 284 O CYS A 20 0.543 10.065 -6.590 1.00 0.00 O ATOM 285 CB CYS A 20 0.886 8.320 -3.549 1.00 0.00 C ATOM 286 SG CYS A 20 0.074 9.512 -2.422 1.00 0.00 S ATOM 0 H CYS A 20 0.125 6.277 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.737 8.863 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.819 7.313 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.946 8.557 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 20 0.937 9.943 -1.551 1.00 0.00 H new ATOM 292 N GLY A 21 2.321 8.783 -6.033 1.00 0.00 N ATOM 293 CA GLY A 21 3.229 9.447 -6.953 1.00 0.00 C ATOM 294 C GLY A 21 2.571 9.654 -8.318 1.00 0.00 C ATOM 295 O GLY A 21 2.690 10.724 -8.913 1.00 0.00 O ATOM 0 H GLY A 21 2.741 8.029 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.530 10.410 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.135 8.852 -7.068 1.00 0.00 H new ATOM 299 N GLU A 22 1.892 8.613 -8.776 1.00 0.00 N ATOM 300 CA GLU A 22 1.215 8.667 -10.061 1.00 0.00 C ATOM 301 C GLU A 22 0.232 9.839 -10.094 1.00 0.00 C ATOM 302 O GLU A 22 0.057 10.478 -11.131 1.00 0.00 O ATOM 303 CB GLU A 22 0.504 7.346 -10.362 1.00 0.00 C ATOM 304 CG GLU A 22 0.809 6.871 -11.785 1.00 0.00 C ATOM 305 CD GLU A 22 -0.399 7.075 -12.702 1.00 0.00 C ATOM 306 OE1 GLU A 22 -0.803 8.248 -12.856 1.00 0.00 O ATOM 307 OE2 GLU A 22 -0.891 6.054 -13.228 1.00 0.00 O ATOM 0 H GLU A 22 1.796 7.727 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 22 1.963 8.824 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.820 6.587 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.572 7.472 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.666 7.418 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.084 5.816 -11.769 1.00 0.00 H new ATOM 314 N ALA A 23 -0.384 10.086 -8.947 1.00 0.00 N ATOM 315 CA ALA A 23 -1.344 11.170 -8.832 1.00 0.00 C ATOM 316 C ALA A 23 -0.653 12.495 -9.158 1.00 0.00 C ATOM 317 O ALA A 23 -1.097 13.231 -10.038 1.00 0.00 O ATOM 318 CB ALA A 23 -1.958 11.161 -7.430 1.00 0.00 C ATOM 0 H ALA A 23 -0.237 9.554 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.158 11.039 -9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.678 11.974 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.462 10.210 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.171 11.293 -6.687 1.00 0.00 H new ATOM 324 N LEU A 24 0.422 12.759 -8.431 1.00 0.00 N ATOM 325 CA LEU A 24 1.179 13.983 -8.631 1.00 0.00 C ATOM 326 C LEU A 24 1.920 13.906 -9.968 1.00 0.00 C ATOM 327 O LEU A 24 2.421 14.915 -10.463 1.00 0.00 O ATOM 328 CB LEU A 24 2.095 14.249 -7.435 1.00 0.00 C ATOM 329 CG LEU A 24 1.398 14.459 -6.090 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.646 13.275 -5.153 1.00 0.00 C ATOM 331 CD2 LEU A 24 1.815 15.788 -5.457 1.00 0.00 C ATOM 0 H LEU A 24 0.787 12.146 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 24 0.509 14.841 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.785 13.411 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.696 15.132 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 24 0.324 14.510 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.139 13.450 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.259 12.363 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.717 13.167 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.305 15.912 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.893 15.792 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.545 16.608 -6.122 1.00 0.00 H new ATOM 343 N GLY A 25 1.965 12.700 -10.514 1.00 0.00 N ATOM 344 CA GLY A 25 2.636 12.479 -11.784 1.00 0.00 C ATOM 345 C GLY A 25 4.128 12.211 -11.576 1.00 0.00 C ATOM 346 O GLY A 25 4.971 12.974 -12.046 1.00 0.00 O ATOM 0 H GLY A 25 1.548 11.866 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.179 11.634 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.505 13.351 -12.425 1.00 0.00 H new ATOM 350 N LEU A 26 4.409 11.124 -10.872 1.00 0.00 N ATOM 351 CA LEU A 26 5.785 10.746 -10.596 1.00 0.00 C ATOM 352 C LEU A 26 6.030 9.324 -11.104 1.00 0.00 C ATOM 353 O LEU A 26 5.084 8.590 -11.385 1.00 0.00 O ATOM 354 CB LEU A 26 6.104 10.932 -9.111 1.00 0.00 C ATOM 355 CG LEU A 26 5.871 12.334 -8.545 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.118 12.364 -7.036 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.717 13.372 -9.285 1.00 0.00 C ATOM 0 H LEU A 26 3.707 10.493 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 26 6.474 11.399 -11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.501 10.226 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.148 10.665 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 26 4.826 12.597 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.945 13.372 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.437 11.670 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.147 12.071 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.532 14.360 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.773 13.124 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.449 13.373 -10.342 1.00 0.00 H new ATOM 369 N LYS A 27 7.305 8.979 -11.208 1.00 0.00 N ATOM 370 CA LYS A 27 7.687 7.658 -11.678 1.00 0.00 C ATOM 371 C LYS A 27 8.075 6.788 -10.481 1.00 0.00 C ATOM 372 O LYS A 27 8.598 5.688 -10.652 1.00 0.00 O ATOM 373 CB LYS A 27 8.781 7.763 -12.742 1.00 0.00 C ATOM 374 CG LYS A 27 8.180 8.054 -14.119 1.00 0.00 C ATOM 375 CD LYS A 27 8.393 6.876 -15.071 1.00 0.00 C ATOM 376 CE LYS A 27 7.178 6.677 -15.979 1.00 0.00 C ATOM 377 NZ LYS A 27 7.381 5.512 -16.869 1.00 0.00 N ATOM 0 H LYS A 27 8.087 9.591 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 27 6.844 7.170 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.481 8.554 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.349 6.833 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.114 8.257 -14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.637 8.951 -14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.281 7.051 -15.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.574 5.968 -14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.284 6.528 -15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.012 7.574 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.547 5.391 -17.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.222 5.669 -17.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.517 4.656 -16.295 1.00 0.00 H new ATOM 391 N GLN A 28 7.805 7.314 -9.295 1.00 0.00 N ATOM 392 CA GLN A 28 8.120 6.599 -8.070 1.00 0.00 C ATOM 393 C GLN A 28 6.911 6.595 -7.132 1.00 0.00 C ATOM 394 O GLN A 28 5.839 7.077 -7.494 1.00 0.00 O ATOM 395 CB GLN A 28 9.345 7.204 -7.382 1.00 0.00 C ATOM 396 CG GLN A 28 9.116 8.680 -7.052 1.00 0.00 C ATOM 397 CD GLN A 28 10.446 9.411 -6.855 1.00 0.00 C ATOM 398 OE1 GLN A 28 11.081 9.330 -5.816 1.00 0.00 O ATOM 399 NE2 GLN A 28 10.831 10.126 -7.909 1.00 0.00 N ATOM 0 H GLN A 28 7.372 8.227 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 28 8.360 5.567 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.562 6.653 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.216 7.103 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.553 9.153 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.513 8.765 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.251 10.150 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.706 10.650 -7.878 1.00 0.00 H new ATOM 408 N ALA A 29 7.125 6.046 -5.946 1.00 0.00 N ATOM 409 CA ALA A 29 6.066 5.973 -4.953 1.00 0.00 C ATOM 410 C ALA A 29 6.156 7.187 -4.027 1.00 0.00 C ATOM 411 O ALA A 29 7.177 7.873 -3.994 1.00 0.00 O ATOM 412 CB ALA A 29 6.170 4.650 -4.192 1.00 0.00 C ATOM 0 H ALA A 29 8.016 5.647 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 29 5.088 5.997 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.376 4.595 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.070 3.819 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.138 4.591 -3.695 1.00 0.00 H new ATOM 418 N VAL A 30 5.074 7.417 -3.298 1.00 0.00 N ATOM 419 CA VAL A 30 5.018 8.537 -2.374 1.00 0.00 C ATOM 420 C VAL A 30 4.067 8.197 -1.224 1.00 0.00 C ATOM 421 O VAL A 30 2.883 7.948 -1.446 1.00 0.00 O ATOM 422 CB VAL A 30 4.622 9.812 -3.120 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.711 11.034 -2.204 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.479 10.002 -4.373 1.00 0.00 C ATOM 0 H VAL A 30 4.229 6.847 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 30 6.000 8.723 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 30 3.584 9.706 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.424 11.927 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.039 10.903 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.733 11.144 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.177 10.916 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.529 10.075 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.343 9.150 -5.040 1.00 0.00 H new ATOM 434 N LYS A 31 4.621 8.198 -0.020 1.00 0.00 N ATOM 435 CA LYS A 31 3.837 7.893 1.164 1.00 0.00 C ATOM 436 C LYS A 31 2.510 8.651 1.101 1.00 0.00 C ATOM 437 O LYS A 31 2.492 9.881 1.124 1.00 0.00 O ATOM 438 CB LYS A 31 4.647 8.176 2.431 1.00 0.00 C ATOM 439 CG LYS A 31 4.493 7.041 3.445 1.00 0.00 C ATOM 440 CD LYS A 31 4.484 7.582 4.876 1.00 0.00 C ATOM 441 CE LYS A 31 5.528 6.869 5.738 1.00 0.00 C ATOM 442 NZ LYS A 31 6.670 7.769 6.020 1.00 0.00 N ATOM 0 H LYS A 31 5.603 8.405 0.160 1.00 0.00 H new ATOM 0 HA LYS A 31 3.597 6.830 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.699 8.299 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.316 9.114 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.567 6.499 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.310 6.329 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.686 8.653 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.494 7.449 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.074 6.543 6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.881 5.974 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.369 7.270 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.113 8.059 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.331 8.611 6.528 1.00 0.00 H new ATOM 456 N VAL A 32 1.431 7.886 1.024 1.00 0.00 N ATOM 457 CA VAL A 32 0.102 8.471 0.957 1.00 0.00 C ATOM 458 C VAL A 32 -0.298 8.977 2.345 1.00 0.00 C ATOM 459 O VAL A 32 -0.427 8.192 3.282 1.00 0.00 O ATOM 460 CB VAL A 32 -0.888 7.456 0.383 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.291 8.057 0.279 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.413 6.934 -0.974 1.00 0.00 C ATOM 0 H VAL A 32 1.450 6.866 1.007 1.00 0.00 H new ATOM 0 HA VAL A 32 0.095 9.328 0.284 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.936 6.610 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.975 7.315 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.633 8.357 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.266 8.929 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.135 6.214 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.322 7.766 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.556 6.449 -0.858 1.00 0.00 H new ATOM 472 N PRO A 33 -0.487 10.321 2.434 1.00 0.00 N ATOM 473 CA PRO A 33 -0.870 10.941 3.691 1.00 0.00 C ATOM 474 C PRO A 33 -2.343 10.677 4.006 1.00 0.00 C ATOM 475 O PRO A 33 -3.173 11.581 3.913 1.00 0.00 O ATOM 476 CB PRO A 33 -0.556 12.418 3.512 1.00 0.00 C ATOM 477 CG PRO A 33 -0.447 12.643 2.013 1.00 0.00 C ATOM 478 CD PRO A 33 -0.344 11.282 1.344 1.00 0.00 C ATOM 0 HA PRO A 33 -0.328 10.532 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.341 13.039 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.374 12.683 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.318 13.185 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.428 13.250 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.124 11.149 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.612 11.163 0.834 1.00 0.00 H new ATOM 486 N PHE A 34 -2.624 9.435 4.373 1.00 0.00 N ATOM 487 CA PHE A 34 -3.983 9.041 4.703 1.00 0.00 C ATOM 488 C PHE A 34 -4.649 10.077 5.610 1.00 0.00 C ATOM 489 O PHE A 34 -5.875 10.169 5.659 1.00 0.00 O ATOM 490 CB PHE A 34 -3.893 7.709 5.450 1.00 0.00 C ATOM 491 CG PHE A 34 -3.501 6.524 4.565 1.00 0.00 C ATOM 492 CD1 PHE A 34 -3.267 6.715 3.238 1.00 0.00 C ATOM 493 CD2 PHE A 34 -3.387 5.281 5.104 1.00 0.00 C ATOM 494 CE1 PHE A 34 -2.903 5.615 2.417 1.00 0.00 C ATOM 495 CE2 PHE A 34 -3.023 4.182 4.282 1.00 0.00 C ATOM 496 CZ PHE A 34 -2.789 4.372 2.956 1.00 0.00 C ATOM 0 H PHE A 34 -1.933 8.688 4.449 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.578 8.958 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.165 7.804 6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.856 7.499 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.358 7.702 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.573 5.130 6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.717 5.766 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.932 3.195 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.513 3.536 2.331 1.00 0.00 H new ATOM 506 N ALA A 35 -3.812 10.832 6.307 1.00 0.00 N ATOM 507 CA ALA A 35 -4.305 11.858 7.210 1.00 0.00 C ATOM 508 C ALA A 35 -4.860 13.027 6.394 1.00 0.00 C ATOM 509 O ALA A 35 -5.977 13.483 6.635 1.00 0.00 O ATOM 510 CB ALA A 35 -3.181 12.289 8.155 1.00 0.00 C ATOM 0 H ALA A 35 -2.796 10.754 6.264 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.118 11.470 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.550 13.059 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.842 11.429 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.349 12.686 7.574 1.00 0.00 H new ATOM 516 N LEU A 36 -4.055 13.478 5.443 1.00 0.00 N ATOM 517 CA LEU A 36 -4.452 14.585 4.589 1.00 0.00 C ATOM 518 C LEU A 36 -5.857 14.324 4.043 1.00 0.00 C ATOM 519 O LEU A 36 -6.655 15.249 3.904 1.00 0.00 O ATOM 520 CB LEU A 36 -3.404 14.824 3.501 1.00 0.00 C ATOM 521 CG LEU A 36 -2.251 15.758 3.874 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.338 16.009 2.672 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.774 17.062 4.478 1.00 0.00 C ATOM 0 H LEU A 36 -3.130 13.097 5.245 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.500 15.511 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.985 13.861 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.906 15.232 2.624 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.649 15.268 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.527 16.676 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.923 15.062 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.913 16.468 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.934 17.707 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.413 17.568 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.349 16.841 5.377 1.00 0.00 H new ATOM 535 N PHE A 37 -6.117 13.058 3.748 1.00 0.00 N ATOM 536 CA PHE A 37 -7.412 12.663 3.221 1.00 0.00 C ATOM 537 C PHE A 37 -8.471 12.643 4.325 1.00 0.00 C ATOM 538 O PHE A 37 -9.645 12.906 4.069 1.00 0.00 O ATOM 539 CB PHE A 37 -7.253 11.250 2.656 1.00 0.00 C ATOM 540 CG PHE A 37 -6.462 11.188 1.348 1.00 0.00 C ATOM 541 CD1 PHE A 37 -5.104 11.106 1.377 1.00 0.00 C ATOM 542 CD2 PHE A 37 -7.115 11.215 0.156 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.370 11.048 0.163 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.381 11.158 -1.058 1.00 0.00 C ATOM 545 CZ PHE A 37 -5.024 11.075 -1.029 1.00 0.00 C ATOM 0 H PHE A 37 -5.452 12.293 3.864 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.735 13.372 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.756 10.627 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.242 10.822 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.584 11.085 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.193 11.280 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.292 10.982 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.900 11.181 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.466 11.031 -1.952 1.00 0.00 H new ATOM 555 N GLU A 38 -8.018 12.327 5.529 1.00 0.00 N ATOM 556 CA GLU A 38 -8.911 12.268 6.673 1.00 0.00 C ATOM 557 C GLU A 38 -9.349 13.678 7.078 1.00 0.00 C ATOM 558 O GLU A 38 -10.489 13.882 7.492 1.00 0.00 O ATOM 559 CB GLU A 38 -8.252 11.541 7.847 1.00 0.00 C ATOM 560 CG GLU A 38 -8.330 10.024 7.665 1.00 0.00 C ATOM 561 CD GLU A 38 -8.759 9.337 8.964 1.00 0.00 C ATOM 562 OE1 GLU A 38 -8.327 9.823 10.032 1.00 0.00 O ATOM 563 OE2 GLU A 38 -9.508 8.342 8.859 1.00 0.00 O ATOM 0 H GLU A 38 -7.044 12.109 5.737 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.797 11.701 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.209 11.848 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.743 11.825 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.039 9.785 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.359 9.641 7.351 1.00 0.00 H new ATOM 570 N SER A 39 -8.420 14.613 6.944 1.00 0.00 N ATOM 571 CA SER A 39 -8.696 15.997 7.290 1.00 0.00 C ATOM 572 C SER A 39 -9.332 16.717 6.100 1.00 0.00 C ATOM 573 O SER A 39 -10.321 17.431 6.258 1.00 0.00 O ATOM 574 CB SER A 39 -7.421 16.719 7.728 1.00 0.00 C ATOM 575 OG SER A 39 -7.340 16.847 9.145 1.00 0.00 O ATOM 0 H SER A 39 -7.475 14.439 6.601 1.00 0.00 H new ATOM 0 HA SER A 39 -9.394 16.008 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.551 16.173 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.390 17.709 7.272 1.00 0.00 H new ATOM 0 HG SER A 39 -6.511 17.312 9.385 1.00 0.00 H new ATOM 581 N PHE A 40 -8.738 16.505 4.934 1.00 0.00 N ATOM 582 CA PHE A 40 -9.234 17.125 3.718 1.00 0.00 C ATOM 583 C PHE A 40 -9.542 16.072 2.651 1.00 0.00 C ATOM 584 O PHE A 40 -8.807 15.940 1.674 1.00 0.00 O ATOM 585 CB PHE A 40 -8.128 18.048 3.202 1.00 0.00 C ATOM 586 CG PHE A 40 -7.538 18.970 4.272 1.00 0.00 C ATOM 587 CD1 PHE A 40 -8.282 19.992 4.773 1.00 0.00 C ATOM 588 CD2 PHE A 40 -6.270 18.767 4.721 1.00 0.00 C ATOM 589 CE1 PHE A 40 -7.734 20.848 5.766 1.00 0.00 C ATOM 590 CE2 PHE A 40 -5.723 19.622 5.713 1.00 0.00 C ATOM 591 CZ PHE A 40 -6.467 20.645 6.215 1.00 0.00 C ATOM 0 H PHE A 40 -7.918 15.912 4.807 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.154 17.671 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.328 17.439 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.526 18.658 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.289 20.153 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.680 17.955 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.324 21.660 6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.716 19.461 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.051 21.296 6.970 1.00 0.00 H new ATOM 601 N PRO A 41 -10.658 15.330 2.881 1.00 0.00 N ATOM 602 CA PRO A 41 -11.072 14.293 1.952 1.00 0.00 C ATOM 603 C PRO A 41 -11.693 14.901 0.693 1.00 0.00 C ATOM 604 O PRO A 41 -11.554 14.353 -0.400 1.00 0.00 O ATOM 605 CB PRO A 41 -12.044 13.427 2.736 1.00 0.00 C ATOM 606 CG PRO A 41 -12.495 14.271 3.917 1.00 0.00 C ATOM 607 CD PRO A 41 -11.552 15.458 4.028 1.00 0.00 C ATOM 0 HA PRO A 41 -10.236 13.697 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.893 13.135 2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.564 12.508 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.521 14.610 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.479 13.683 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.098 16.401 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.998 15.437 4.966 1.00 0.00 H new ATOM 615 N GLU A 42 -12.366 16.025 0.888 1.00 0.00 N ATOM 616 CA GLU A 42 -13.010 16.713 -0.218 1.00 0.00 C ATOM 617 C GLU A 42 -11.975 17.102 -1.276 1.00 0.00 C ATOM 618 O GLU A 42 -12.275 17.112 -2.469 1.00 0.00 O ATOM 619 CB GLU A 42 -13.779 17.941 0.273 1.00 0.00 C ATOM 620 CG GLU A 42 -15.289 17.723 0.162 1.00 0.00 C ATOM 621 CD GLU A 42 -16.055 19.005 0.497 1.00 0.00 C ATOM 622 OE1 GLU A 42 -15.568 19.742 1.381 1.00 0.00 O ATOM 623 OE2 GLU A 42 -17.109 19.218 -0.139 1.00 0.00 O ATOM 0 H GLU A 42 -12.479 16.477 1.795 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.729 16.033 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.513 18.150 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.490 18.814 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.540 17.399 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.595 16.925 0.838 1.00 0.00 H new ATOM 630 N ASP A 43 -10.778 17.412 -0.801 1.00 0.00 N ATOM 631 CA ASP A 43 -9.697 17.800 -1.691 1.00 0.00 C ATOM 632 C ASP A 43 -8.962 16.546 -2.171 1.00 0.00 C ATOM 633 O ASP A 43 -8.760 16.362 -3.370 1.00 0.00 O ATOM 634 CB ASP A 43 -8.685 18.694 -0.971 1.00 0.00 C ATOM 635 CG ASP A 43 -9.233 20.043 -0.502 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.098 20.586 -1.223 1.00 0.00 O ATOM 637 OD2 ASP A 43 -8.774 20.502 0.566 1.00 0.00 O ATOM 0 H ASP A 43 -10.533 17.402 0.189 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.130 18.347 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.298 18.155 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.842 18.873 -1.638 1.00 0.00 H new ATOM 642 N PHE A 44 -8.583 15.717 -1.210 1.00 0.00 N ATOM 643 CA PHE A 44 -7.876 14.486 -1.520 1.00 0.00 C ATOM 644 C PHE A 44 -8.777 13.268 -1.311 1.00 0.00 C ATOM 645 O PHE A 44 -9.389 13.118 -0.254 1.00 0.00 O ATOM 646 CB PHE A 44 -6.689 14.398 -0.558 1.00 0.00 C ATOM 647 CG PHE A 44 -5.788 15.635 -0.567 1.00 0.00 C ATOM 648 CD1 PHE A 44 -4.947 15.856 -1.613 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.828 16.512 0.471 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.111 17.004 -1.621 1.00 0.00 C ATOM 651 CE2 PHE A 44 -4.991 17.660 0.463 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.151 17.882 -0.583 1.00 0.00 C ATOM 0 H PHE A 44 -8.752 15.873 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.556 14.493 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.065 14.242 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.091 13.524 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.915 15.159 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.496 16.336 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.443 17.180 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.022 18.356 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.516 18.755 -0.590 1.00 0.00 H new ATOM 662 N TYR A 45 -8.831 12.429 -2.335 1.00 0.00 N ATOM 663 CA TYR A 45 -9.648 11.229 -2.277 1.00 0.00 C ATOM 664 C TYR A 45 -9.330 10.292 -3.444 1.00 0.00 C ATOM 665 O TYR A 45 -8.865 10.736 -4.492 1.00 0.00 O ATOM 666 CB TYR A 45 -11.099 11.699 -2.397 1.00 0.00 C ATOM 667 CG TYR A 45 -11.365 12.590 -3.612 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.053 13.934 -3.565 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.917 12.050 -4.756 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.304 14.772 -4.708 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.168 12.888 -5.900 1.00 0.00 C ATOM 672 CZ TYR A 45 -11.849 14.208 -5.819 1.00 0.00 C ATOM 673 OH TYR A 45 -12.086 15.000 -6.900 1.00 0.00 O ATOM 0 H TYR A 45 -8.322 12.557 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.461 10.683 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.750 10.826 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.370 12.244 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.620 14.357 -2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.161 10.999 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.065 15.825 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.599 12.478 -6.801 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.355 14.444 -7.661 1.00 0.00 H new ATOM 683 N VAL A 46 -9.593 9.012 -3.223 1.00 0.00 N ATOM 684 CA VAL A 46 -9.341 8.009 -4.243 1.00 0.00 C ATOM 685 C VAL A 46 -10.674 7.467 -4.760 1.00 0.00 C ATOM 686 O VAL A 46 -11.591 7.215 -3.979 1.00 0.00 O ATOM 687 CB VAL A 46 -8.426 6.916 -3.687 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.437 5.681 -4.590 1.00 0.00 C ATOM 689 CG2 VAL A 46 -7.002 7.440 -3.492 1.00 0.00 C ATOM 0 H VAL A 46 -9.978 8.647 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.819 8.451 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.811 6.621 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.779 4.919 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.451 5.288 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.089 5.955 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.372 6.643 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.603 7.776 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.014 8.275 -2.791 1.00 0.00 H new ATOM 699 N GLU A 47 -10.741 7.303 -6.073 1.00 0.00 N ATOM 700 CA GLU A 47 -11.948 6.795 -6.704 1.00 0.00 C ATOM 701 C GLU A 47 -11.682 5.426 -7.333 1.00 0.00 C ATOM 702 O GLU A 47 -10.531 5.021 -7.482 1.00 0.00 O ATOM 703 CB GLU A 47 -12.480 7.783 -7.744 1.00 0.00 C ATOM 704 CG GLU A 47 -13.144 8.985 -7.070 1.00 0.00 C ATOM 705 CD GLU A 47 -14.666 8.924 -7.216 1.00 0.00 C ATOM 706 OE1 GLU A 47 -15.118 8.705 -8.360 1.00 0.00 O ATOM 707 OE2 GLU A 47 -15.343 9.099 -6.179 1.00 0.00 O ATOM 0 H GLU A 47 -9.979 7.513 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.714 6.678 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.662 8.124 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.199 7.282 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.877 9.007 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.769 9.908 -7.513 1.00 0.00 H new ATOM 714 N GLY A 48 -12.767 4.752 -7.685 1.00 0.00 N ATOM 715 CA GLY A 48 -12.665 3.437 -8.295 1.00 0.00 C ATOM 716 C GLY A 48 -12.815 2.333 -7.246 1.00 0.00 C ATOM 717 O GLY A 48 -13.297 1.243 -7.551 1.00 0.00 O ATOM 0 H GLY A 48 -13.721 5.092 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.435 3.325 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.702 3.339 -8.797 1.00 0.00 H new ATOM 721 N LEU A 49 -12.394 2.654 -6.031 1.00 0.00 N ATOM 722 CA LEU A 49 -12.476 1.703 -4.936 1.00 0.00 C ATOM 723 C LEU A 49 -13.805 0.951 -5.017 1.00 0.00 C ATOM 724 O LEU A 49 -14.789 1.476 -5.534 1.00 0.00 O ATOM 725 CB LEU A 49 -12.248 2.408 -3.597 1.00 0.00 C ATOM 726 CG LEU A 49 -10.789 2.626 -3.192 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.663 3.776 -2.192 1.00 0.00 C ATOM 728 CD2 LEU A 49 -10.169 1.333 -2.660 1.00 0.00 C ATOM 0 H LEU A 49 -11.995 3.559 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.684 0.959 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.743 3.378 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.738 1.827 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.227 2.911 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.616 3.909 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.041 4.694 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.243 3.546 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.132 1.516 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.727 0.994 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.206 0.566 -3.434 1.00 0.00 H new ATOM 740 N PRO A 50 -13.791 -0.300 -4.484 1.00 0.00 N ATOM 741 CA PRO A 50 -14.984 -1.130 -4.491 1.00 0.00 C ATOM 742 C PRO A 50 -15.988 -0.656 -3.438 1.00 0.00 C ATOM 743 O PRO A 50 -15.706 0.269 -2.679 1.00 0.00 O ATOM 744 CB PRO A 50 -14.481 -2.543 -4.239 1.00 0.00 C ATOM 745 CG PRO A 50 -13.092 -2.391 -3.640 1.00 0.00 C ATOM 746 CD PRO A 50 -12.644 -0.956 -3.863 1.00 0.00 C ATOM 0 HA PRO A 50 -15.528 -1.077 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.143 -3.078 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.446 -3.116 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.107 -2.625 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.396 -3.086 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.374 -0.475 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.766 -0.911 -4.507 1.00 0.00 H new ATOM 754 N GLU A 51 -17.139 -1.312 -3.428 1.00 0.00 N ATOM 755 CA GLU A 51 -18.187 -0.969 -2.481 1.00 0.00 C ATOM 756 C GLU A 51 -17.765 -1.352 -1.061 1.00 0.00 C ATOM 757 O GLU A 51 -17.028 -2.317 -0.867 1.00 0.00 O ATOM 758 CB GLU A 51 -19.509 -1.640 -2.860 1.00 0.00 C ATOM 759 CG GLU A 51 -20.688 -0.689 -2.642 1.00 0.00 C ATOM 760 CD GLU A 51 -21.903 -1.126 -3.463 1.00 0.00 C ATOM 761 OE1 GLU A 51 -22.100 -2.356 -3.575 1.00 0.00 O ATOM 762 OE2 GLU A 51 -22.607 -0.221 -3.960 1.00 0.00 O ATOM 0 H GLU A 51 -17.369 -2.079 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.342 0.109 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.477 -1.952 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.648 -2.541 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.949 -0.664 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.400 0.324 -2.923 1.00 0.00 H new ATOM 769 N GLY A 52 -18.251 -0.575 -0.104 1.00 0.00 N ATOM 770 CA GLY A 52 -17.934 -0.820 1.293 1.00 0.00 C ATOM 771 C GLY A 52 -16.425 -0.974 1.493 1.00 0.00 C ATOM 772 O GLY A 52 -15.984 -1.618 2.444 1.00 0.00 O ATOM 0 H GLY A 52 -18.862 0.225 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.303 0.004 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.444 -1.722 1.633 1.00 0.00 H new ATOM 776 N VAL A 53 -15.675 -0.373 0.582 1.00 0.00 N ATOM 777 CA VAL A 53 -14.224 -0.435 0.646 1.00 0.00 C ATOM 778 C VAL A 53 -13.650 0.975 0.492 1.00 0.00 C ATOM 779 O VAL A 53 -13.483 1.462 -0.624 1.00 0.00 O ATOM 780 CB VAL A 53 -13.695 -1.414 -0.404 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.170 -1.518 -0.337 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.346 -2.790 -0.248 1.00 0.00 C ATOM 0 H VAL A 53 -16.045 0.160 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.900 -0.813 1.616 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.962 -1.027 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.820 -2.220 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.730 -0.538 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.872 -1.870 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.952 -3.467 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.125 -3.187 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.425 -2.698 -0.369 1.00 0.00 H new ATOM 792 N PRO A 54 -13.356 1.606 1.660 1.00 0.00 N ATOM 793 CA PRO A 54 -12.804 2.950 1.666 1.00 0.00 C ATOM 794 C PRO A 54 -11.329 2.939 1.261 1.00 0.00 C ATOM 795 O PRO A 54 -10.765 1.881 0.985 1.00 0.00 O ATOM 796 CB PRO A 54 -13.028 3.461 3.080 1.00 0.00 C ATOM 797 CG PRO A 54 -13.272 2.229 3.935 1.00 0.00 C ATOM 798 CD PRO A 54 -13.541 1.060 3.002 1.00 0.00 C ATOM 0 HA PRO A 54 -13.284 3.605 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.161 4.018 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.881 4.139 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.406 2.024 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.120 2.389 4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.854 0.235 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.550 0.671 3.136 1.00 0.00 H new ATOM 806 N PHE A 55 -10.746 4.128 1.237 1.00 0.00 N ATOM 807 CA PHE A 55 -9.347 4.269 0.870 1.00 0.00 C ATOM 808 C PHE A 55 -8.457 4.325 2.113 1.00 0.00 C ATOM 809 O PHE A 55 -7.485 5.078 2.151 1.00 0.00 O ATOM 810 CB PHE A 55 -9.215 5.586 0.103 1.00 0.00 C ATOM 811 CG PHE A 55 -7.785 5.914 -0.331 1.00 0.00 C ATOM 812 CD1 PHE A 55 -6.955 4.919 -0.743 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.344 7.200 -0.304 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.627 5.223 -1.145 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.017 7.504 -0.707 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.187 6.509 -1.119 1.00 0.00 C ATOM 0 H PHE A 55 -11.217 5.003 1.466 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.033 3.416 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.851 5.545 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.589 6.397 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.305 3.898 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.003 7.990 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.967 4.433 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.667 8.525 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.178 6.740 -1.426 1.00 0.00 H new ATOM 826 N ARG A 56 -8.821 3.518 3.099 1.00 0.00 N ATOM 827 CA ARG A 56 -8.067 3.466 4.340 1.00 0.00 C ATOM 828 C ARG A 56 -6.794 2.638 4.155 1.00 0.00 C ATOM 829 O ARG A 56 -6.471 2.231 3.039 1.00 0.00 O ATOM 830 CB ARG A 56 -8.904 2.858 5.467 1.00 0.00 C ATOM 831 CG ARG A 56 -9.659 3.943 6.237 1.00 0.00 C ATOM 832 CD ARG A 56 -8.878 4.381 7.477 1.00 0.00 C ATOM 833 NE ARG A 56 -9.541 5.543 8.109 1.00 0.00 N ATOM 834 CZ ARG A 56 -10.644 5.458 8.865 1.00 0.00 C ATOM 835 NH1 ARG A 56 -11.214 4.266 9.088 1.00 0.00 N ATOM 836 NH2 ARG A 56 -11.178 6.566 9.399 1.00 0.00 N ATOM 0 H ARG A 56 -9.628 2.895 3.064 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.802 4.488 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.613 2.142 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.256 2.307 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.829 4.802 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.639 3.568 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.816 3.557 8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.856 4.641 7.200 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.133 6.466 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.808 3.423 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.054 4.202 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.745 7.474 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.018 6.501 9.974 1.00 0.00 H new ATOM 850 N ARG A 57 -6.106 2.412 5.264 1.00 0.00 N ATOM 851 CA ARG A 57 -4.876 1.639 5.238 1.00 0.00 C ATOM 852 C ARG A 57 -5.190 0.142 5.226 1.00 0.00 C ATOM 853 O ARG A 57 -6.222 -0.284 5.743 1.00 0.00 O ATOM 854 CB ARG A 57 -3.998 1.960 6.449 1.00 0.00 C ATOM 855 CG ARG A 57 -4.675 1.520 7.749 1.00 0.00 C ATOM 856 CD ARG A 57 -4.118 2.294 8.945 1.00 0.00 C ATOM 857 NE ARG A 57 -5.220 2.963 9.673 1.00 0.00 N ATOM 858 CZ ARG A 57 -5.724 4.158 9.337 1.00 0.00 C ATOM 859 NH1 ARG A 57 -5.229 4.823 8.285 1.00 0.00 N ATOM 860 NH2 ARG A 57 -6.724 4.689 10.055 1.00 0.00 N ATOM 0 H ARG A 57 -6.377 2.751 6.187 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.335 1.907 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.036 1.458 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.797 3.031 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.751 1.681 7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.522 0.451 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.589 1.615 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.394 3.034 8.604 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.620 2.485 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.468 4.420 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.613 5.733 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.101 4.183 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.108 5.599 9.800 1.00 0.00 H new ATOM 874 N PRO A 58 -4.257 -0.637 4.616 1.00 0.00 N ATOM 875 CA PRO A 58 -4.424 -2.078 4.530 1.00 0.00 C ATOM 876 C PRO A 58 -4.146 -2.743 5.880 1.00 0.00 C ATOM 877 O PRO A 58 -4.665 -3.822 6.163 1.00 0.00 O ATOM 878 CB PRO A 58 -3.462 -2.521 3.440 1.00 0.00 C ATOM 879 CG PRO A 58 -2.463 -1.387 3.279 1.00 0.00 C ATOM 880 CD PRO A 58 -3.023 -0.168 3.993 1.00 0.00 C ATOM 0 HA PRO A 58 -5.445 -2.370 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.959 -3.448 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.991 -2.711 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.497 -1.666 3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.299 -1.169 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.323 0.211 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.217 0.646 3.294 1.00 0.00 H new ATOM 888 N SER A 59 -3.328 -2.071 6.677 1.00 0.00 N ATOM 889 CA SER A 59 -2.974 -2.584 7.990 1.00 0.00 C ATOM 890 C SER A 59 -4.161 -2.439 8.945 1.00 0.00 C ATOM 891 O SER A 59 -4.047 -1.798 9.989 1.00 0.00 O ATOM 892 CB SER A 59 -1.749 -1.861 8.552 1.00 0.00 C ATOM 893 OG SER A 59 -2.102 -0.651 9.218 1.00 0.00 O ATOM 0 H SER A 59 -2.900 -1.176 6.439 1.00 0.00 H new ATOM 0 HA SER A 59 -2.724 -3.640 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.227 -2.519 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.055 -1.639 7.741 1.00 0.00 H new ATOM 0 HG SER A 59 -2.604 -0.861 10.033 1.00 0.00 H new ATOM 899 N THR A 60 -5.272 -3.044 8.553 1.00 0.00 N ATOM 900 CA THR A 60 -6.479 -2.990 9.361 1.00 0.00 C ATOM 901 C THR A 60 -7.586 -3.831 8.723 1.00 0.00 C ATOM 902 O THR A 60 -8.352 -4.490 9.425 1.00 0.00 O ATOM 903 CB THR A 60 -6.861 -1.520 9.543 1.00 0.00 C ATOM 904 OG1 THR A 60 -7.089 -1.391 10.944 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.214 -1.184 8.913 1.00 0.00 C ATOM 0 H THR A 60 -5.362 -3.574 7.686 1.00 0.00 H new ATOM 0 HA THR A 60 -6.314 -3.422 10.348 1.00 0.00 H new ATOM 0 HB THR A 60 -6.089 -0.888 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.340 -0.467 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.437 -0.129 9.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.179 -1.391 7.843 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.992 -1.792 9.375 1.00 0.00 H new ATOM 913 N PHE A 61 -7.635 -3.782 7.400 1.00 0.00 N ATOM 914 CA PHE A 61 -8.636 -4.531 6.660 1.00 0.00 C ATOM 915 C PHE A 61 -8.485 -6.034 6.900 1.00 0.00 C ATOM 916 O PHE A 61 -7.697 -6.455 7.746 1.00 0.00 O ATOM 917 CB PHE A 61 -8.406 -4.238 5.176 1.00 0.00 C ATOM 918 CG PHE A 61 -8.951 -2.884 4.717 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.178 -2.469 5.131 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.208 -2.096 3.895 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.683 -1.212 4.705 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.713 -0.839 3.469 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.940 -0.424 3.883 1.00 0.00 C ATOM 0 H PHE A 61 -6.997 -3.235 6.821 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.635 -4.238 6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.336 -4.276 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.873 -5.025 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.768 -3.095 5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.234 -2.426 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.657 -0.882 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.123 -0.213 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.324 0.532 3.559 1.00 0.00 H new ATOM 933 N GLY A 62 -9.252 -6.803 6.141 1.00 0.00 N ATOM 934 CA GLY A 62 -9.213 -8.250 6.261 1.00 0.00 C ATOM 935 C GLY A 62 -8.357 -8.870 5.154 1.00 0.00 C ATOM 936 O GLY A 62 -7.774 -8.154 4.342 1.00 0.00 O ATOM 0 H GLY A 62 -9.904 -6.451 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.810 -8.527 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.226 -8.650 6.210 1.00 0.00 H new ATOM 940 N ILE A 63 -8.310 -10.194 5.157 1.00 0.00 N ATOM 941 CA ILE A 63 -7.536 -10.917 4.164 1.00 0.00 C ATOM 942 C ILE A 63 -8.204 -10.769 2.795 1.00 0.00 C ATOM 943 O ILE A 63 -7.533 -10.510 1.797 1.00 0.00 O ATOM 944 CB ILE A 63 -7.335 -12.372 4.595 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.301 -12.473 5.718 1.00 0.00 C ATOM 946 CG2 ILE A 63 -6.971 -13.253 3.399 1.00 0.00 C ATOM 947 CD1 ILE A 63 -6.538 -13.720 6.572 1.00 0.00 C ATOM 0 H ILE A 63 -8.796 -10.785 5.832 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.536 -10.492 4.079 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.279 -12.744 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.298 -12.505 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.352 -11.583 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.834 -14.281 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.773 -13.215 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.047 -12.891 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.789 -13.767 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.532 -13.673 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.462 -14.609 5.946 1.00 0.00 H new ATOM 959 N PRO A 64 -9.553 -10.943 2.792 1.00 0.00 N ATOM 960 CA PRO A 64 -10.319 -10.830 1.563 1.00 0.00 C ATOM 961 C PRO A 64 -10.472 -9.367 1.144 1.00 0.00 C ATOM 962 O PRO A 64 -10.187 -9.012 0.001 1.00 0.00 O ATOM 963 CB PRO A 64 -11.648 -11.504 1.865 1.00 0.00 C ATOM 964 CG PRO A 64 -11.754 -11.554 3.381 1.00 0.00 C ATOM 965 CD PRO A 64 -10.381 -11.249 3.955 1.00 0.00 C ATOM 0 HA PRO A 64 -9.828 -11.309 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.477 -10.943 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.684 -12.506 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.486 -10.829 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.094 -12.537 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.419 -10.407 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.986 -12.100 4.510 1.00 0.00 H new ATOM 973 N ARG A 65 -10.922 -8.557 2.091 1.00 0.00 N ATOM 974 CA ARG A 65 -11.116 -7.140 1.835 1.00 0.00 C ATOM 975 C ARG A 65 -9.870 -6.544 1.176 1.00 0.00 C ATOM 976 O ARG A 65 -9.970 -5.606 0.387 1.00 0.00 O ATOM 977 CB ARG A 65 -11.412 -6.382 3.130 1.00 0.00 C ATOM 978 CG ARG A 65 -12.767 -5.674 3.054 1.00 0.00 C ATOM 979 CD ARG A 65 -12.830 -4.503 4.037 1.00 0.00 C ATOM 980 NE ARG A 65 -13.710 -4.846 5.176 1.00 0.00 N ATOM 981 CZ ARG A 65 -15.031 -5.047 5.070 1.00 0.00 C ATOM 982 NH1 ARG A 65 -15.631 -4.942 3.877 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.751 -5.354 6.158 1.00 0.00 N ATOM 0 H ARG A 65 -11.158 -8.855 3.037 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.969 -7.038 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.407 -7.076 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.625 -5.651 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.936 -5.312 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.565 -6.383 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.829 -4.266 4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.205 -3.613 3.532 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.285 -4.935 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.083 -4.709 3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.636 -5.095 3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.294 -5.435 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.756 -5.507 6.078 1.00 0.00 H new ATOM 997 N LEU A 66 -8.726 -7.114 1.524 1.00 0.00 N ATOM 998 CA LEU A 66 -7.462 -6.651 0.977 1.00 0.00 C ATOM 999 C LEU A 66 -7.433 -6.924 -0.528 1.00 0.00 C ATOM 1000 O LEU A 66 -7.104 -6.040 -1.317 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.289 -7.272 1.737 1.00 0.00 C ATOM 1002 CG LEU A 66 -5.903 -6.587 3.050 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.191 -7.563 3.989 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.069 -5.331 2.789 1.00 0.00 C ATOM 0 H LEU A 66 -8.648 -7.893 2.178 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.362 -5.574 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.531 -8.313 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.418 -7.275 1.082 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.817 -6.268 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.928 -7.051 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.852 -8.400 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.285 -7.934 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.808 -4.864 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.158 -5.603 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.646 -4.630 2.186 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.781 -8.153 -0.881 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.799 -8.554 -2.278 1.00 0.00 C ATOM 1018 C GLU A 67 -8.878 -7.781 -3.038 1.00 0.00 C ATOM 1019 O GLU A 67 -8.665 -7.370 -4.178 1.00 0.00 O ATOM 1020 CB GLU A 67 -8.008 -10.063 -2.412 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.674 -10.810 -2.349 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.152 -11.120 -3.754 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -5.928 -10.145 -4.503 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.990 -12.324 -4.046 1.00 0.00 O ATOM 0 H GLU A 67 -8.053 -8.884 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.831 -8.314 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.664 -10.415 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.507 -10.282 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.942 -10.209 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.799 -11.738 -1.791 1.00 0.00 H new ATOM 1031 N LYS A 68 -10.012 -7.606 -2.377 1.00 0.00 N ATOM 1032 CA LYS A 68 -11.125 -6.889 -2.976 1.00 0.00 C ATOM 1033 C LYS A 68 -10.606 -5.611 -3.639 1.00 0.00 C ATOM 1034 O LYS A 68 -11.006 -5.279 -4.753 1.00 0.00 O ATOM 1035 CB LYS A 68 -12.224 -6.642 -1.941 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.739 -7.961 -1.363 1.00 0.00 C ATOM 1037 CD LYS A 68 -14.232 -7.871 -1.037 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.790 -9.239 -0.640 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.849 -9.660 -1.584 1.00 0.00 N ATOM 0 H LYS A 68 -10.185 -7.948 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.587 -7.490 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.837 -6.015 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.047 -6.097 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.567 -8.767 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.180 -8.210 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.388 -7.161 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.775 -7.490 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.988 -9.977 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.193 -9.194 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.217 -10.590 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.621 -8.964 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.454 -9.722 -2.544 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.722 -4.930 -2.925 1.00 0.00 N ATOM 1054 CA ILE A 69 -9.144 -3.696 -3.430 1.00 0.00 C ATOM 1055 C ILE A 69 -8.281 -4.006 -4.655 1.00 0.00 C ATOM 1056 O ILE A 69 -8.534 -3.490 -5.743 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.391 -2.963 -2.318 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.351 -2.492 -1.224 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -7.559 -1.811 -2.886 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.840 -2.889 0.163 1.00 0.00 C ATOM 0 H ILE A 69 -9.392 -5.209 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.929 -3.013 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.696 -3.664 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.465 -1.409 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.337 -2.925 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.034 -1.307 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.834 -2.203 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.216 -1.102 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.541 -2.542 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.750 -3.974 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.864 -2.434 0.335 1.00 0.00 H new ATOM 1072 N LEU A 70 -7.281 -4.848 -4.438 1.00 0.00 N ATOM 1073 CA LEU A 70 -6.381 -5.233 -5.511 1.00 0.00 C ATOM 1074 C LEU A 70 -7.185 -5.446 -6.794 1.00 0.00 C ATOM 1075 O LEU A 70 -6.857 -4.884 -7.838 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.545 -6.446 -5.100 1.00 0.00 C ATOM 1077 CG LEU A 70 -4.346 -6.159 -4.193 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -4.388 -7.032 -2.937 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -3.030 -6.318 -4.957 1.00 0.00 C ATOM 0 H LEU A 70 -7.075 -5.274 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.665 -4.436 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.197 -7.157 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.182 -6.935 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.405 -5.121 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.525 -6.809 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.303 -6.827 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.366 -8.083 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.194 -6.108 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.948 -7.338 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.009 -5.621 -5.795 1.00 0.00 H new ATOM 1091 N ARG A 71 -8.224 -6.260 -6.675 1.00 0.00 N ATOM 1092 CA ARG A 71 -9.078 -6.555 -7.813 1.00 0.00 C ATOM 1093 C ARG A 71 -9.265 -5.305 -8.675 1.00 0.00 C ATOM 1094 O ARG A 71 -9.241 -5.383 -9.902 1.00 0.00 O ATOM 1095 CB ARG A 71 -10.448 -7.061 -7.357 1.00 0.00 C ATOM 1096 CG ARG A 71 -10.322 -8.397 -6.621 1.00 0.00 C ATOM 1097 CD ARG A 71 -11.487 -9.326 -6.970 1.00 0.00 C ATOM 1098 NE ARG A 71 -12.525 -9.253 -5.918 1.00 0.00 N ATOM 1099 CZ ARG A 71 -13.748 -9.790 -6.031 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -14.093 -10.441 -7.149 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -14.625 -9.674 -5.025 1.00 0.00 N ATOM 0 H ARG A 71 -8.494 -6.724 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.592 -7.335 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.913 -6.324 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.102 -7.178 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.379 -8.875 -6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.300 -8.223 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.913 -9.043 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.129 -10.351 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.296 -8.764 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.425 -10.528 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.024 -10.850 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.362 -9.177 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.556 -10.082 -5.110 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.447 -4.180 -7.998 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.638 -2.915 -8.686 1.00 0.00 C ATOM 1117 C ASN A 72 -8.487 -1.969 -8.335 1.00 0.00 C ATOM 1118 O ASN A 72 -8.717 -0.844 -7.895 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.946 -2.247 -8.259 1.00 0.00 C ATOM 1120 CG ASN A 72 -12.153 -2.969 -8.861 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -12.052 -3.693 -9.838 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -13.297 -2.732 -8.227 1.00 0.00 N ATOM 0 H ASN A 72 -9.466 -4.119 -6.980 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.669 -3.116 -9.757 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.022 -2.249 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.946 -1.204 -8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.160 -3.167 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.312 -2.115 -7.415 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.275 -2.462 -8.542 1.00 0.00 N ATOM 1130 CA LYS A 73 -6.088 -1.675 -8.253 1.00 0.00 C ATOM 1131 C LYS A 73 -5.849 -0.682 -9.393 1.00 0.00 C ATOM 1132 O LYS A 73 -5.470 0.463 -9.154 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.894 -2.589 -7.973 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.302 -3.133 -9.275 1.00 0.00 C ATOM 1135 CD LYS A 73 -3.303 -4.257 -8.995 1.00 0.00 C ATOM 1136 CE LYS A 73 -3.463 -5.396 -10.004 1.00 0.00 C ATOM 1137 NZ LYS A 73 -2.971 -4.981 -11.337 1.00 0.00 N ATOM 0 H LYS A 73 -7.089 -3.396 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.231 -1.089 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.130 -2.038 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.207 -3.418 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.102 -3.504 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.807 -2.328 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.287 -3.865 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.452 -4.638 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.911 -6.272 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.512 -5.686 -10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.087 -5.766 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.515 -4.159 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.965 -4.727 -11.272 1.00 0.00 H new ATOM 1151 N ALA A 74 -6.080 -1.159 -10.607 1.00 0.00 N ATOM 1152 CA ALA A 74 -5.894 -0.328 -11.785 1.00 0.00 C ATOM 1153 C ALA A 74 -7.049 0.671 -11.887 1.00 0.00 C ATOM 1154 O ALA A 74 -6.829 1.858 -12.120 1.00 0.00 O ATOM 1155 CB ALA A 74 -5.782 -1.217 -13.025 1.00 0.00 C ATOM 0 H ALA A 74 -6.394 -2.110 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.969 0.244 -11.709 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.643 -0.594 -13.908 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.930 -1.888 -12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.694 -1.804 -13.135 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.255 0.152 -11.706 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.445 0.983 -11.774 1.00 0.00 C ATOM 1163 C LYS A 75 -9.294 2.163 -10.812 1.00 0.00 C ATOM 1164 O LYS A 75 -9.557 3.307 -11.181 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.700 0.144 -11.526 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.817 -0.984 -12.552 1.00 0.00 C ATOM 1167 CD LYS A 75 -11.195 -0.436 -13.929 1.00 0.00 C ATOM 1168 CE LYS A 75 -10.211 -0.914 -14.999 1.00 0.00 C ATOM 1169 NZ LYS A 75 -10.007 0.135 -16.022 1.00 0.00 N ATOM 0 H LYS A 75 -8.433 -0.833 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.561 1.400 -12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.668 -0.276 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.583 0.780 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.870 -1.520 -12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.568 -1.702 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.204 -0.758 -14.188 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.205 0.654 -13.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.258 -1.169 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.590 -1.821 -15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.337 -0.206 -16.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.916 0.359 -16.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.625 0.991 -15.571 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.870 1.845 -9.598 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.680 2.865 -8.580 1.00 0.00 C ATOM 1185 C ILE A 76 -8.007 4.087 -9.208 1.00 0.00 C ATOM 1186 O ILE A 76 -7.263 3.960 -10.179 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.920 2.292 -7.383 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.869 1.564 -6.428 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -7.116 3.381 -6.671 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -8.093 0.660 -5.467 1.00 0.00 C ATOM 0 H ILE A 76 -8.652 0.895 -9.296 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.642 3.196 -8.189 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.207 1.555 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.448 2.292 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.580 0.968 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.585 2.946 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.397 3.815 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.792 4.159 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.791 0.155 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.534 -0.082 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.401 1.263 -4.879 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.293 5.243 -8.628 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.725 6.487 -9.119 1.00 0.00 C ATOM 1204 C LYS A 77 -7.587 7.473 -7.957 1.00 0.00 C ATOM 1205 O LYS A 77 -8.471 7.563 -7.106 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.548 7.027 -10.290 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.660 7.774 -11.287 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.050 9.251 -11.369 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.565 9.874 -12.680 1.00 0.00 C ATOM 1210 NZ LYS A 77 -8.679 9.975 -13.649 1.00 0.00 N ATOM 0 H LYS A 77 -8.911 5.345 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.724 6.318 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.053 6.203 -10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.323 7.696 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.616 7.686 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.748 7.316 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.133 9.350 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.622 9.791 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.151 10.864 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.762 9.269 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.333 10.400 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.056 9.026 -13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.433 10.571 -13.251 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.472 8.189 -7.959 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.208 9.165 -6.915 1.00 0.00 C ATOM 1226 C PHE A 78 -6.505 10.584 -7.404 1.00 0.00 C ATOM 1227 O PHE A 78 -6.105 10.962 -8.504 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.721 9.058 -6.570 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.373 7.863 -5.680 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.777 6.613 -6.032 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.659 8.050 -4.538 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.454 5.503 -5.207 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.336 6.941 -3.712 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.740 5.691 -4.064 1.00 0.00 C ATOM 0 H PHE A 78 -5.741 8.113 -8.667 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.842 8.967 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.148 8.988 -7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.408 9.974 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.344 6.464 -6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.337 9.043 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.775 4.510 -5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.770 7.090 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.494 4.847 -3.436 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.204 11.331 -6.562 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.560 12.700 -6.894 1.00 0.00 C ATOM 1246 C ILE A 79 -6.793 13.657 -5.980 1.00 0.00 C ATOM 1247 O ILE A 79 -6.863 13.543 -4.757 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.078 12.886 -6.846 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.794 11.742 -7.566 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.481 14.254 -7.400 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.258 11.569 -8.989 1.00 0.00 C ATOM 0 H ILE A 79 -7.533 11.014 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.267 12.933 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.393 12.856 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.660 10.815 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.865 11.942 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.565 14.360 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.014 15.039 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.152 14.339 -8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.784 10.749 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.416 12.489 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.192 11.345 -8.952 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.080 14.581 -6.608 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.301 15.558 -5.867 1.00 0.00 C ATOM 1265 C ILE A 80 -5.688 16.965 -6.324 1.00 0.00 C ATOM 1266 O ILE A 80 -5.397 17.357 -7.453 1.00 0.00 O ATOM 1267 CB ILE A 80 -3.806 15.259 -5.993 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.517 13.781 -5.723 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -2.985 16.179 -5.088 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -3.172 13.550 -4.250 1.00 0.00 C ATOM 0 H ILE A 80 -6.026 14.673 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.526 15.496 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.502 15.463 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.386 13.181 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.690 13.448 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.926 15.946 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.159 17.217 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.285 16.031 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.971 12.491 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.289 14.132 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.010 13.862 -3.627 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.339 17.688 -5.424 1.00 0.00 N ATOM 1283 CA LYS A 81 -6.769 19.043 -5.721 1.00 0.00 C ATOM 1284 C LYS A 81 -5.773 20.034 -5.114 1.00 0.00 C ATOM 1285 O LYS A 81 -5.779 21.215 -5.458 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.211 19.261 -5.260 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.132 18.167 -5.804 1.00 0.00 C ATOM 1288 CD LYS A 81 -10.587 18.429 -5.409 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.550 17.734 -6.373 1.00 0.00 C ATOM 1290 NZ LYS A 81 -12.330 18.733 -7.137 1.00 0.00 N ATOM 0 H LYS A 81 -6.579 17.360 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.774 19.214 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.251 19.267 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.561 20.237 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.048 18.123 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.816 17.197 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.762 18.072 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.780 19.502 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.991 17.098 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.226 17.085 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.979 18.244 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.878 19.323 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.682 19.335 -7.683 1.00 0.00 H new ATOM 1304 N LYS A 82 -4.941 19.516 -4.222 1.00 0.00 N ATOM 1305 CA LYS A 82 -3.942 20.341 -3.565 1.00 0.00 C ATOM 1306 C LYS A 82 -2.632 19.557 -3.455 1.00 0.00 C ATOM 1307 O LYS A 82 -2.295 19.050 -2.386 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.467 20.851 -2.221 1.00 0.00 C ATOM 1309 CG LYS A 82 -5.709 21.724 -2.414 1.00 0.00 C ATOM 1310 CD LYS A 82 -5.707 22.902 -1.438 1.00 0.00 C ATOM 1311 CE LYS A 82 -6.324 24.146 -2.080 1.00 0.00 C ATOM 1312 NZ LYS A 82 -6.916 25.024 -1.045 1.00 0.00 N ATOM 0 H LYS A 82 -4.938 18.536 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.734 21.231 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.709 20.006 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.689 21.425 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.741 22.096 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.607 21.124 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.266 22.636 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.685 23.118 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.562 24.692 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.090 23.851 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.330 25.864 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.658 24.505 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.176 25.321 -0.377 1.00 0.00 H new ATOM 1326 N PRO A 83 -1.911 19.480 -4.606 1.00 0.00 N ATOM 1327 CA PRO A 83 -0.646 18.766 -4.649 1.00 0.00 C ATOM 1328 C PRO A 83 0.462 19.572 -3.968 1.00 0.00 C ATOM 1329 O PRO A 83 1.581 19.085 -3.809 1.00 0.00 O ATOM 1330 CB PRO A 83 -0.381 18.524 -6.126 1.00 0.00 C ATOM 1331 CG PRO A 83 -1.263 19.510 -6.875 1.00 0.00 C ATOM 1332 CD PRO A 83 -2.279 20.067 -5.890 1.00 0.00 C ATOM 0 HA PRO A 83 -0.677 17.823 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.671 18.681 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.621 17.497 -6.403 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.662 20.314 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.767 19.017 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.239 21.156 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.296 19.794 -6.173 1.00 0.00 H new ATOM 1340 N GLU A 84 0.112 20.791 -3.583 1.00 0.00 N ATOM 1341 CA GLU A 84 1.063 21.669 -2.923 1.00 0.00 C ATOM 1342 C GLU A 84 1.127 21.353 -1.427 1.00 0.00 C ATOM 1343 O GLU A 84 2.189 21.447 -0.814 1.00 0.00 O ATOM 1344 CB GLU A 84 0.707 23.138 -3.158 1.00 0.00 C ATOM 1345 CG GLU A 84 -0.354 23.611 -2.162 1.00 0.00 C ATOM 1346 CD GLU A 84 -0.845 25.018 -2.512 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -1.589 25.127 -3.511 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -0.466 25.951 -1.773 1.00 0.00 O ATOM 0 H GLU A 84 -0.817 21.191 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 84 2.049 21.495 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.602 23.753 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.339 23.269 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.195 22.917 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.061 23.607 -1.154 1.00 0.00 H new ATOM 1355 N MET A 85 -0.024 20.984 -0.883 1.00 0.00 N ATOM 1356 CA MET A 85 -0.112 20.653 0.529 1.00 0.00 C ATOM 1357 C MET A 85 0.509 19.284 0.812 1.00 0.00 C ATOM 1358 O MET A 85 0.691 18.907 1.968 1.00 0.00 O ATOM 1359 CB MET A 85 -1.580 20.648 0.962 1.00 0.00 C ATOM 1360 CG MET A 85 -2.137 22.071 1.029 1.00 0.00 C ATOM 1361 SD MET A 85 -3.907 22.024 1.256 1.00 0.00 S ATOM 1362 CE MET A 85 -3.990 21.329 2.898 1.00 0.00 C ATOM 0 H MET A 85 -0.903 20.907 -1.395 1.00 0.00 H new ATOM 0 HA MET A 85 0.440 21.404 1.094 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.168 20.056 0.260 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.673 20.171 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.671 22.614 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.894 22.609 0.113 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.968 21.536 3.332 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.837 20.251 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.215 21.775 3.522 1.00 0.00 H new ATOM 1372 N PHE A 86 0.817 18.576 -0.265 1.00 0.00 N ATOM 1373 CA PHE A 86 1.413 17.256 -0.148 1.00 0.00 C ATOM 1374 C PHE A 86 2.929 17.354 0.035 1.00 0.00 C ATOM 1375 O PHE A 86 3.551 16.448 0.588 1.00 0.00 O ATOM 1376 CB PHE A 86 1.116 16.513 -1.452 1.00 0.00 C ATOM 1377 CG PHE A 86 0.195 15.303 -1.283 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.106 15.483 -0.930 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.678 14.048 -1.485 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -1.960 14.359 -0.773 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.176 12.925 -1.328 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.477 13.104 -0.975 1.00 0.00 C ATOM 0 H PHE A 86 0.665 18.892 -1.223 1.00 0.00 H new ATOM 0 HA PHE A 86 1.001 16.738 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.661 17.207 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.057 16.182 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.489 16.480 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.711 13.906 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.993 14.501 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.208 11.928 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.127 12.250 -0.855 1.00 0.00 H new ATOM 1392 N GLU A 87 3.480 18.461 -0.440 1.00 0.00 N ATOM 1393 CA GLU A 87 4.912 18.689 -0.336 1.00 0.00 C ATOM 1394 C GLU A 87 5.433 18.181 1.010 1.00 0.00 C ATOM 1395 O GLU A 87 6.482 17.542 1.071 1.00 0.00 O ATOM 1396 CB GLU A 87 5.247 20.170 -0.530 1.00 0.00 C ATOM 1397 CG GLU A 87 6.310 20.353 -1.614 1.00 0.00 C ATOM 1398 CD GLU A 87 7.378 21.356 -1.171 1.00 0.00 C ATOM 1399 OE1 GLU A 87 8.116 21.016 -0.221 1.00 0.00 O ATOM 1400 OE2 GLU A 87 7.431 22.439 -1.792 1.00 0.00 O ATOM 0 H GLU A 87 2.961 19.210 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 87 5.408 18.131 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.345 20.718 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.604 20.592 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.777 19.393 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.840 20.699 -2.534 1.00 0.00 H new ATOM 1407 N THR A 88 4.677 18.484 2.054 1.00 0.00 N ATOM 1408 CA THR A 88 5.050 18.066 3.395 1.00 0.00 C ATOM 1409 C THR A 88 5.319 16.560 3.428 1.00 0.00 C ATOM 1410 O THR A 88 6.371 16.124 3.892 1.00 0.00 O ATOM 1411 CB THR A 88 3.942 18.507 4.353 1.00 0.00 C ATOM 1412 OG1 THR A 88 4.192 19.895 4.558 1.00 0.00 O ATOM 1413 CG2 THR A 88 4.093 17.892 5.746 1.00 0.00 C ATOM 0 H THR A 88 3.807 19.014 1.999 1.00 0.00 H new ATOM 0 HA THR A 88 5.980 18.538 3.712 1.00 0.00 H new ATOM 0 HB THR A 88 2.973 18.232 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.518 20.262 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.281 18.238 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.058 16.805 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.048 18.195 6.176 1.00 0.00 H new ATOM 1421 N ALA A 89 4.349 15.807 2.931 1.00 0.00 N ATOM 1422 CA ALA A 89 4.467 14.360 2.898 1.00 0.00 C ATOM 1423 C ALA A 89 5.604 13.967 1.953 1.00 0.00 C ATOM 1424 O ALA A 89 6.533 13.265 2.351 1.00 0.00 O ATOM 1425 CB ALA A 89 3.127 13.747 2.486 1.00 0.00 C ATOM 0 H ALA A 89 3.477 16.173 2.548 1.00 0.00 H new ATOM 0 HA ALA A 89 4.712 13.972 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.216 12.661 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.360 14.032 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.849 14.111 1.497 1.00 0.00 H new ATOM 1431 N ILE A 90 5.493 14.436 0.719 1.00 0.00 N ATOM 1432 CA ILE A 90 6.501 14.143 -0.287 1.00 0.00 C ATOM 1433 C ILE A 90 7.891 14.250 0.344 1.00 0.00 C ATOM 1434 O ILE A 90 8.759 13.418 0.085 1.00 0.00 O ATOM 1435 CB ILE A 90 6.310 15.038 -1.513 1.00 0.00 C ATOM 1436 CG1 ILE A 90 4.964 14.767 -2.186 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.480 14.888 -2.488 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.578 15.914 -3.122 1.00 0.00 C ATOM 0 H ILE A 90 4.721 15.017 0.392 1.00 0.00 H new ATOM 0 HA ILE A 90 6.393 13.120 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 90 6.299 16.076 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.016 13.835 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.193 14.638 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.320 15.535 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.407 15.171 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.547 13.852 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.617 15.696 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.503 16.840 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.339 16.025 -3.895 1.00 0.00 H new ATOM 1450 N LYS A 91 8.058 15.281 1.158 1.00 0.00 N ATOM 1451 CA LYS A 91 9.328 15.508 1.828 1.00 0.00 C ATOM 1452 C LYS A 91 9.543 14.423 2.884 1.00 0.00 C ATOM 1453 O LYS A 91 10.552 13.719 2.860 1.00 0.00 O ATOM 1454 CB LYS A 91 9.393 16.931 2.386 1.00 0.00 C ATOM 1455 CG LYS A 91 10.169 16.968 3.704 1.00 0.00 C ATOM 1456 CD LYS A 91 10.672 18.381 4.004 1.00 0.00 C ATOM 1457 CE LYS A 91 11.561 18.394 5.249 1.00 0.00 C ATOM 1458 NZ LYS A 91 12.889 18.965 4.932 1.00 0.00 N ATOM 0 H LYS A 91 7.335 15.969 1.369 1.00 0.00 H new ATOM 0 HA LYS A 91 10.152 15.431 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.871 17.589 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.383 17.310 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.529 16.626 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.013 16.281 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.232 18.761 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.824 19.049 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.086 18.979 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.677 17.380 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.480 18.966 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.347 18.390 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.775 19.940 4.589 1.00 0.00 H new