USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.265) USER MOD Single : A 25 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : A 30 THR OG1 : rot 170:sc= 1.14 USER MOD Single : A 31 GLN : amide:sc= -0.054 K(o=-0.054,f=-3!) USER MOD Single : A 36 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.93) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -145:sc= -0.347 USER MOD Single : A 60 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.24) USER MOD Single : A 61 CYS SG : rot -114:sc= -0.283 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.435 -3.145 1.467 1.00 0.00 N ATOM 69 CA PHE A 8 7.553 -2.127 2.027 1.00 0.00 C ATOM 70 C PHE A 8 6.646 -2.723 3.098 1.00 0.00 C ATOM 71 O PHE A 8 6.367 -3.921 3.092 1.00 0.00 O ATOM 72 CB PHE A 8 6.710 -1.490 0.922 1.00 0.00 C ATOM 73 CG PHE A 8 7.500 -1.130 -0.304 1.00 0.00 C ATOM 74 CD1 PHE A 8 8.254 0.031 -0.342 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.487 -1.954 -1.418 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.983 0.364 -1.468 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.213 -1.627 -2.547 1.00 0.00 C ATOM 78 CZ PHE A 8 8.962 -0.466 -2.572 1.00 0.00 C ATOM 0 HA PHE A 8 8.172 -1.358 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.913 -2.179 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.232 -0.592 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.273 0.684 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.903 -2.862 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.568 1.272 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.195 -2.278 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.530 -0.208 -3.453 1.00 0.00 H new ATOM 88 N ARG A 9 6.191 -1.879 4.018 1.00 0.00 N ATOM 89 CA ARG A 9 5.315 -2.322 5.096 1.00 0.00 C ATOM 90 C ARG A 9 4.073 -1.441 5.185 1.00 0.00 C ATOM 91 O ARG A 9 3.942 -0.460 4.452 1.00 0.00 O ATOM 92 CB ARG A 9 6.064 -2.304 6.431 1.00 0.00 C ATOM 93 CG ARG A 9 7.461 -2.899 6.358 1.00 0.00 C ATOM 94 CD ARG A 9 7.471 -4.355 6.794 1.00 0.00 C ATOM 95 NE ARG A 9 7.223 -4.499 8.227 1.00 0.00 N ATOM 96 CZ ARG A 9 7.552 -5.578 8.933 1.00 0.00 C ATOM 97 NH1 ARG A 9 8.140 -6.612 8.344 1.00 0.00 N ATOM 98 NH2 ARG A 9 7.291 -5.625 10.232 1.00 0.00 N ATOM 0 H ARG A 9 6.415 -0.884 4.038 1.00 0.00 H new ATOM 0 HA ARG A 9 5.000 -3.342 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.135 -1.275 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.483 -2.855 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.838 -2.821 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.136 -2.324 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.712 -4.905 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.434 -4.801 6.546 1.00 0.00 H new ATOM 0 HE ARG A 9 6.771 -3.726 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.342 -6.582 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.390 -7.436 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.838 -4.834 10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.543 -6.452 10.773 1.00 0.00 H new ATOM 112 N VAL A 10 3.165 -1.796 6.088 1.00 0.00 N ATOM 113 CA VAL A 10 1.934 -1.037 6.273 1.00 0.00 C ATOM 114 C VAL A 10 2.186 0.228 7.085 1.00 0.00 C ATOM 115 O VAL A 10 3.026 0.242 7.986 1.00 0.00 O ATOM 116 CB VAL A 10 0.854 -1.879 6.978 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.476 -1.143 6.991 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.715 -3.238 6.308 1.00 0.00 C ATOM 0 H VAL A 10 3.259 -2.604 6.703 1.00 0.00 H new ATOM 0 HA VAL A 10 1.579 -0.764 5.279 1.00 0.00 H new ATOM 0 HB VAL A 10 1.162 -2.039 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.225 -1.755 7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.364 -0.198 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.794 -0.948 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.052 -3.819 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.432 -3.102 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.666 -3.768 6.360 1.00 0.00 H new ATOM 128 N GLY A 11 1.456 1.289 6.760 1.00 0.00 N ATOM 129 CA GLY A 11 1.617 2.546 7.469 1.00 0.00 C ATOM 130 C GLY A 11 2.535 3.508 6.743 1.00 0.00 C ATOM 131 O GLY A 11 2.369 4.724 6.836 1.00 0.00 O ATOM 0 H GLY A 11 0.756 1.302 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.641 3.012 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.016 2.350 8.464 1.00 0.00 H new ATOM 135 N GLU A 12 3.506 2.963 6.017 1.00 0.00 N ATOM 136 CA GLU A 12 4.455 3.782 5.272 1.00 0.00 C ATOM 137 C GLU A 12 3.800 4.380 4.032 1.00 0.00 C ATOM 138 O GLU A 12 2.761 3.903 3.575 1.00 0.00 O ATOM 139 CB GLU A 12 5.673 2.949 4.868 1.00 0.00 C ATOM 140 CG GLU A 12 6.620 2.658 6.020 1.00 0.00 C ATOM 141 CD GLU A 12 7.802 3.605 6.056 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.614 4.777 6.446 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.918 3.177 5.694 1.00 0.00 O ATOM 0 H GLU A 12 3.656 1.958 5.929 1.00 0.00 H new ATOM 0 HA GLU A 12 4.780 4.597 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.332 2.006 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.218 3.475 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.074 2.728 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.982 1.633 5.938 1.00 0.00 H new ATOM 150 N ARG A 13 4.412 5.429 3.492 1.00 0.00 N ATOM 151 CA ARG A 13 3.887 6.093 2.305 1.00 0.00 C ATOM 152 C ARG A 13 4.621 5.628 1.051 1.00 0.00 C ATOM 153 O ARG A 13 5.810 5.895 0.880 1.00 0.00 O ATOM 154 CB ARG A 13 4.011 7.611 2.449 1.00 0.00 C ATOM 155 CG ARG A 13 3.101 8.386 1.509 1.00 0.00 C ATOM 156 CD ARG A 13 1.732 8.621 2.128 1.00 0.00 C ATOM 157 NE ARG A 13 0.891 9.473 1.290 1.00 0.00 N ATOM 158 CZ ARG A 13 1.072 10.784 1.148 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.061 11.397 1.787 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.262 11.484 0.366 1.00 0.00 N ATOM 0 H ARG A 13 5.272 5.837 3.858 1.00 0.00 H new ATOM 0 HA ARG A 13 2.834 5.828 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.781 7.890 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.045 7.902 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.560 9.344 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.989 7.837 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.236 7.663 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.852 9.082 3.108 1.00 0.00 H new ATOM 0 HE ARG A 13 0.120 9.037 0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.687 10.863 2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.195 12.402 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.500 11.018 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.401 12.489 0.257 1.00 0.00 H new ATOM 174 N VAL A 14 3.903 4.931 0.176 1.00 0.00 N ATOM 175 CA VAL A 14 4.485 4.431 -1.063 1.00 0.00 C ATOM 176 C VAL A 14 4.051 5.277 -2.254 1.00 0.00 C ATOM 177 O VAL A 14 3.298 6.239 -2.102 1.00 0.00 O ATOM 178 CB VAL A 14 4.088 2.964 -1.318 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.851 2.034 -0.388 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.587 2.781 -1.153 1.00 0.00 C ATOM 0 H VAL A 14 2.918 4.700 0.303 1.00 0.00 H new ATOM 0 HA VAL A 14 5.568 4.493 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 14 4.352 2.709 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.557 1.003 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.922 2.145 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.622 2.287 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.325 1.739 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.296 3.055 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.062 3.418 -1.865 1.00 0.00 H new ATOM 190 N TRP A 15 4.529 4.914 -3.439 1.00 0.00 N ATOM 191 CA TRP A 15 4.189 5.640 -4.657 1.00 0.00 C ATOM 192 C TRP A 15 3.775 4.678 -5.767 1.00 0.00 C ATOM 193 O TRP A 15 4.615 4.005 -6.363 1.00 0.00 O ATOM 194 CB TRP A 15 5.378 6.490 -5.116 1.00 0.00 C ATOM 195 CG TRP A 15 5.174 7.960 -4.905 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.884 8.892 -5.859 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.247 8.667 -3.662 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.772 10.136 -5.285 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.991 10.023 -3.937 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.504 8.285 -2.342 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.984 10.998 -2.941 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.497 9.252 -1.355 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.238 10.595 -1.659 1.00 0.00 C ATOM 0 H TRP A 15 5.154 4.121 -3.582 1.00 0.00 H new ATOM 0 HA TRP A 15 3.346 6.295 -4.438 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.271 6.173 -4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.561 6.304 -6.174 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.761 8.683 -6.911 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.560 11.002 -5.781 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.704 7.252 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.785 12.034 -3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.695 8.968 -0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.239 11.327 -0.865 1.00 0.00 H new ATOM 214 N VAL A 16 2.475 4.620 -6.038 1.00 0.00 N ATOM 215 CA VAL A 16 1.950 3.741 -7.076 1.00 0.00 C ATOM 216 C VAL A 16 2.264 4.287 -8.465 1.00 0.00 C ATOM 217 O VAL A 16 1.994 5.450 -8.763 1.00 0.00 O ATOM 218 CB VAL A 16 0.427 3.556 -6.941 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.075 2.513 -7.927 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.059 3.171 -5.515 1.00 0.00 C ATOM 0 H VAL A 16 1.766 5.171 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 16 2.436 2.774 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.056 4.505 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.153 2.397 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.153 2.834 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.415 1.560 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.021 3.045 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.553 2.236 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.381 3.956 -4.831 1.00 0.00 H new ATOM 230 N ASN A 17 2.838 3.438 -9.313 1.00 0.00 N ATOM 231 CA ASN A 17 3.191 3.834 -10.671 1.00 0.00 C ATOM 232 C ASN A 17 4.177 5.001 -10.667 1.00 0.00 C ATOM 233 O ASN A 17 4.322 5.705 -11.666 1.00 0.00 O ATOM 234 CB ASN A 17 1.934 4.220 -11.454 1.00 0.00 C ATOM 235 CG ASN A 17 1.297 3.031 -12.145 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.999 3.079 -13.339 1.00 0.00 O ATOM 237 ND2 ASN A 17 1.082 1.955 -11.396 1.00 0.00 N ATOM 0 H ASN A 17 3.068 2.471 -9.083 1.00 0.00 H new ATOM 0 HA ASN A 17 3.669 2.982 -11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.211 4.673 -10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.190 4.975 -12.197 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.654 1.125 -11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.345 1.959 -10.410 1.00 0.00 H new ATOM 244 N GLY A 18 4.856 5.200 -9.540 1.00 0.00 N ATOM 245 CA GLY A 18 5.818 6.281 -9.437 1.00 0.00 C ATOM 246 C GLY A 18 5.199 7.642 -9.691 1.00 0.00 C ATOM 247 O GLY A 18 5.887 8.574 -10.109 1.00 0.00 O ATOM 0 H GLY A 18 4.757 4.632 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.266 6.270 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.624 6.114 -10.152 1.00 0.00 H new ATOM 251 N ASN A 19 3.898 7.760 -9.440 1.00 0.00 N ATOM 252 CA ASN A 19 3.194 9.020 -9.647 1.00 0.00 C ATOM 253 C ASN A 19 1.826 9.002 -8.970 1.00 0.00 C ATOM 254 O ASN A 19 0.881 9.633 -9.442 1.00 0.00 O ATOM 255 CB ASN A 19 3.032 9.302 -11.142 1.00 0.00 C ATOM 256 CG ASN A 19 2.189 8.255 -11.844 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.713 7.371 -12.523 1.00 0.00 O ATOM 258 ND2 ASN A 19 0.873 8.351 -11.687 1.00 0.00 N ATOM 0 H ASN A 19 3.312 7.000 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 19 3.790 9.814 -9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.574 10.282 -11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.016 9.344 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.255 7.676 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.481 9.099 -11.116 1.00 0.00 H new ATOM 265 N LYS A 20 1.729 8.279 -7.858 1.00 0.00 N ATOM 266 CA LYS A 20 0.476 8.183 -7.116 1.00 0.00 C ATOM 267 C LYS A 20 0.727 7.742 -5.676 1.00 0.00 C ATOM 268 O LYS A 20 0.694 6.550 -5.370 1.00 0.00 O ATOM 269 CB LYS A 20 -0.475 7.202 -7.803 1.00 0.00 C ATOM 270 CG LYS A 20 -1.056 7.728 -9.106 1.00 0.00 C ATOM 271 CD LYS A 20 -2.413 7.110 -9.401 1.00 0.00 C ATOM 272 CE LYS A 20 -2.843 7.372 -10.835 1.00 0.00 C ATOM 273 NZ LYS A 20 -3.333 8.766 -11.023 1.00 0.00 N ATOM 0 H LYS A 20 2.502 7.752 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 20 0.017 9.172 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.057 6.272 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.291 6.963 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.153 8.812 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.370 7.511 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.371 6.035 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.157 7.518 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.003 7.189 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.630 6.670 -11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.311 9.008 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.308 8.842 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.722 9.423 -10.496 1.00 0.00 H new ATOM 287 N PRO A 21 0.983 8.701 -4.770 1.00 0.00 N ATOM 288 CA PRO A 21 1.242 8.404 -3.356 1.00 0.00 C ATOM 289 C PRO A 21 0.010 7.852 -2.646 1.00 0.00 C ATOM 290 O PRO A 21 -1.116 8.015 -3.117 1.00 0.00 O ATOM 291 CB PRO A 21 1.634 9.762 -2.767 1.00 0.00 C ATOM 292 CG PRO A 21 1.017 10.765 -3.679 1.00 0.00 C ATOM 293 CD PRO A 21 1.042 10.148 -5.049 1.00 0.00 C ATOM 0 HA PRO A 21 2.009 7.638 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.263 9.873 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.717 9.878 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.004 10.995 -3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.574 11.702 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.196 10.476 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.947 10.416 -5.595 1.00 0.00 H new ATOM 301 N GLY A 22 0.231 7.199 -1.510 1.00 0.00 N ATOM 302 CA GLY A 22 -0.869 6.633 -0.752 1.00 0.00 C ATOM 303 C GLY A 22 -0.404 5.933 0.510 1.00 0.00 C ATOM 304 O GLY A 22 0.691 5.372 0.548 1.00 0.00 O ATOM 0 H GLY A 22 1.153 7.052 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.569 7.425 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.411 5.924 -1.378 1.00 0.00 H new ATOM 308 N PHE A 23 -1.237 5.967 1.545 1.00 0.00 N ATOM 309 CA PHE A 23 -0.904 5.330 2.815 1.00 0.00 C ATOM 310 C PHE A 23 -1.312 3.861 2.812 1.00 0.00 C ATOM 311 O PHE A 23 -2.480 3.531 2.606 1.00 0.00 O ATOM 312 CB PHE A 23 -1.591 6.062 3.970 1.00 0.00 C ATOM 313 CG PHE A 23 -0.885 7.318 4.391 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.377 7.262 4.961 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.481 8.557 4.213 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.029 8.417 5.349 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.834 9.714 4.599 1.00 0.00 C ATOM 318 CZ PHE A 23 0.423 9.645 5.168 1.00 0.00 C ATOM 0 H PHE A 23 -2.147 6.428 1.530 1.00 0.00 H new ATOM 0 HA PHE A 23 0.176 5.386 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.611 6.310 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.660 5.390 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.856 6.305 5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.463 8.618 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.012 8.360 5.793 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.310 10.673 4.456 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.931 10.549 5.471 1.00 0.00 H new ATOM 328 N ILE A 24 -0.342 2.983 3.044 1.00 0.00 N ATOM 329 CA ILE A 24 -0.600 1.549 3.069 1.00 0.00 C ATOM 330 C ILE A 24 -1.400 1.157 4.307 1.00 0.00 C ATOM 331 O ILE A 24 -1.070 1.558 5.424 1.00 0.00 O ATOM 332 CB ILE A 24 0.712 0.740 3.043 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.618 1.234 1.913 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.417 -0.744 2.884 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.935 0.492 1.827 1.00 0.00 C ATOM 0 H ILE A 24 0.630 3.240 3.217 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.179 1.317 2.175 1.00 0.00 H new ATOM 0 HB ILE A 24 1.231 0.887 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.090 1.133 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.817 2.296 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.354 -1.301 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.194 -1.085 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.121 -0.910 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.526 0.894 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.483 0.614 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.745 -0.567 1.653 1.00 0.00 H new ATOM 347 N GLN A 25 -2.453 0.372 4.102 1.00 0.00 N ATOM 348 CA GLN A 25 -3.301 -0.074 5.201 1.00 0.00 C ATOM 349 C GLN A 25 -3.310 -1.595 5.299 1.00 0.00 C ATOM 350 O GLN A 25 -3.226 -2.158 6.391 1.00 0.00 O ATOM 351 CB GLN A 25 -4.728 0.446 5.015 1.00 0.00 C ATOM 352 CG GLN A 25 -4.885 1.922 5.340 1.00 0.00 C ATOM 353 CD GLN A 25 -4.823 2.203 6.828 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.725 1.830 7.580 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.756 2.863 7.262 1.00 0.00 N ATOM 0 H GLN A 25 -2.739 0.032 3.184 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.893 0.329 6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.037 0.275 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.401 -0.131 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.101 2.486 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.838 2.277 4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.033 3.153 6.604 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.659 3.080 8.254 1.00 0.00 H new ATOM 364 N PHE A 26 -3.414 -2.256 4.151 1.00 0.00 N ATOM 365 CA PHE A 26 -3.437 -3.714 4.106 1.00 0.00 C ATOM 366 C PHE A 26 -2.252 -4.253 3.312 1.00 0.00 C ATOM 367 O PHE A 26 -1.731 -3.581 2.421 1.00 0.00 O ATOM 368 CB PHE A 26 -4.747 -4.204 3.486 1.00 0.00 C ATOM 369 CG PHE A 26 -5.014 -5.663 3.724 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.595 -6.091 4.906 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.685 -6.606 2.763 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.841 -7.433 5.127 1.00 0.00 C ATOM 373 CE2 PHE A 26 -4.929 -7.948 2.978 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.508 -8.363 4.161 1.00 0.00 C ATOM 0 H PHE A 26 -3.484 -1.805 3.239 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.365 -4.086 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.573 -3.621 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.724 -4.017 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.859 -5.368 5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.233 -6.288 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.293 -7.754 6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.667 -8.673 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.700 -9.412 4.331 1.00 0.00 H new ATOM 384 N LEU A 27 -1.833 -5.472 3.639 1.00 0.00 N ATOM 385 CA LEU A 27 -0.710 -6.103 2.955 1.00 0.00 C ATOM 386 C LEU A 27 -0.889 -7.618 2.903 1.00 0.00 C ATOM 387 O LEU A 27 -0.739 -8.305 3.914 1.00 0.00 O ATOM 388 CB LEU A 27 0.604 -5.752 3.657 1.00 0.00 C ATOM 389 CG LEU A 27 1.441 -4.675 2.964 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.729 -4.422 3.735 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.746 -5.077 1.527 1.00 0.00 C ATOM 0 H LEU A 27 -2.254 -6.042 4.373 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.677 -5.725 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.379 -5.420 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.205 -6.657 3.744 1.00 0.00 H new ATOM 0 HG LEU A 27 0.865 -3.750 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.312 -3.653 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.489 -4.088 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.310 -5.343 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.342 -4.299 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.302 -6.014 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.812 -5.206 0.979 1.00 0.00 H new ATOM 403 N GLY A 28 -1.209 -8.130 1.721 1.00 0.00 N ATOM 404 CA GLY A 28 -1.403 -9.559 1.560 1.00 0.00 C ATOM 405 C GLY A 28 -2.347 -9.892 0.423 1.00 0.00 C ATOM 406 O GLY A 28 -2.909 -8.998 -0.209 1.00 0.00 O ATOM 0 H GLY A 28 -1.338 -7.581 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.439 -10.035 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.795 -9.976 2.488 1.00 0.00 H new ATOM 410 N GLU A 29 -2.522 -11.183 0.160 1.00 0.00 N ATOM 411 CA GLU A 29 -3.404 -11.633 -0.910 1.00 0.00 C ATOM 412 C GLU A 29 -4.849 -11.228 -0.631 1.00 0.00 C ATOM 413 O GLU A 29 -5.179 -10.793 0.473 1.00 0.00 O ATOM 414 CB GLU A 29 -3.311 -13.151 -1.074 1.00 0.00 C ATOM 415 CG GLU A 29 -3.387 -13.911 0.241 1.00 0.00 C ATOM 416 CD GLU A 29 -4.504 -14.935 0.261 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.847 -15.461 -0.818 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.037 -15.210 1.357 1.00 0.00 O ATOM 0 H GLU A 29 -2.064 -11.936 0.674 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.083 -11.155 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.117 -13.488 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.374 -13.397 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.436 -14.413 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.534 -13.203 1.057 1.00 0.00 H new ATOM 425 N THR A 30 -5.704 -11.375 -1.636 1.00 0.00 N ATOM 426 CA THR A 30 -7.113 -11.025 -1.499 1.00 0.00 C ATOM 427 C THR A 30 -8.005 -12.210 -1.851 1.00 0.00 C ATOM 428 O THR A 30 -7.517 -13.288 -2.192 1.00 0.00 O ATOM 429 CB THR A 30 -7.453 -9.832 -2.395 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.079 -10.089 -3.737 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.775 -8.549 -1.967 1.00 0.00 C ATOM 0 H THR A 30 -5.446 -11.734 -2.555 1.00 0.00 H new ATOM 0 HA THR A 30 -7.294 -10.753 -0.459 1.00 0.00 H new ATOM 0 HB THR A 30 -8.531 -9.702 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.446 -9.391 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.059 -7.744 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.083 -8.295 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.694 -8.682 -1.995 1.00 0.00 H new ATOM 439 N GLN A 31 -9.315 -12.005 -1.764 1.00 0.00 N ATOM 440 CA GLN A 31 -10.276 -13.057 -2.072 1.00 0.00 C ATOM 441 C GLN A 31 -10.744 -12.960 -3.520 1.00 0.00 C ATOM 442 O GLN A 31 -10.938 -13.974 -4.190 1.00 0.00 O ATOM 443 CB GLN A 31 -11.478 -12.973 -1.129 1.00 0.00 C ATOM 444 CG GLN A 31 -11.093 -12.829 0.335 1.00 0.00 C ATOM 445 CD GLN A 31 -10.682 -14.146 0.961 1.00 0.00 C ATOM 446 OE1 GLN A 31 -10.285 -15.081 0.265 1.00 0.00 O ATOM 447 NE2 GLN A 31 -10.775 -14.228 2.283 1.00 0.00 N ATOM 0 H GLN A 31 -9.735 -11.119 -1.483 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.781 -14.018 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.098 -12.124 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.087 -13.869 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.272 -12.117 0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.935 -12.414 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.109 -13.429 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.512 -15.090 2.760 1.00 0.00 H new ATOM 456 N PHE A 32 -10.924 -11.732 -3.997 1.00 0.00 N ATOM 457 CA PHE A 32 -11.369 -11.502 -5.367 1.00 0.00 C ATOM 458 C PHE A 32 -10.314 -11.963 -6.367 1.00 0.00 C ATOM 459 O PHE A 32 -10.642 -12.434 -7.456 1.00 0.00 O ATOM 460 CB PHE A 32 -11.681 -10.020 -5.582 1.00 0.00 C ATOM 461 CG PHE A 32 -10.538 -9.110 -5.236 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.561 -8.818 -6.174 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.440 -8.547 -3.975 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.507 -7.979 -5.860 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.389 -7.708 -3.655 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.421 -7.424 -4.598 1.00 0.00 C ATOM 0 H PHE A 32 -10.769 -10.882 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.276 -12.084 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.957 -9.863 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.547 -9.748 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.623 -9.250 -7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.193 -8.766 -3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.752 -7.758 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.325 -7.275 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.599 -6.770 -4.349 1.00 0.00 H new ATOM 476 N ALA A 33 -9.047 -11.823 -5.991 1.00 0.00 N ATOM 477 CA ALA A 33 -7.944 -12.225 -6.856 1.00 0.00 C ATOM 478 C ALA A 33 -6.800 -12.827 -6.043 1.00 0.00 C ATOM 479 O ALA A 33 -6.545 -12.410 -4.913 1.00 0.00 O ATOM 480 CB ALA A 33 -7.451 -11.037 -7.666 1.00 0.00 C ATOM 0 H ALA A 33 -8.759 -11.434 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.310 -12.990 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.628 -11.351 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.265 -10.653 -8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.107 -10.254 -6.991 1.00 0.00 H new ATOM 486 N PRO A 34 -6.092 -13.820 -6.610 1.00 0.00 N ATOM 487 CA PRO A 34 -4.972 -14.477 -5.931 1.00 0.00 C ATOM 488 C PRO A 34 -3.729 -13.595 -5.876 1.00 0.00 C ATOM 489 O PRO A 34 -3.791 -12.400 -6.165 1.00 0.00 O ATOM 490 CB PRO A 34 -4.714 -15.711 -6.796 1.00 0.00 C ATOM 491 CG PRO A 34 -5.168 -15.315 -8.158 1.00 0.00 C ATOM 492 CD PRO A 34 -6.329 -14.380 -7.955 1.00 0.00 C ATOM 0 HA PRO A 34 -5.202 -14.707 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.659 -15.984 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.267 -16.575 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.365 -14.826 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.467 -16.188 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.353 -13.600 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.282 -14.907 -8.008 1.00 0.00 H new ATOM 500 N GLY A 35 -2.602 -14.193 -5.503 1.00 0.00 N ATOM 501 CA GLY A 35 -1.361 -13.446 -5.417 1.00 0.00 C ATOM 502 C GLY A 35 -1.355 -12.457 -4.269 1.00 0.00 C ATOM 503 O GLY A 35 -2.411 -12.083 -3.757 1.00 0.00 O ATOM 0 H GLY A 35 -2.526 -15.180 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.530 -14.141 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.197 -12.912 -6.353 1.00 0.00 H new ATOM 507 N GLN A 36 -0.164 -12.031 -3.864 1.00 0.00 N ATOM 508 CA GLN A 36 -0.024 -11.079 -2.768 1.00 0.00 C ATOM 509 C GLN A 36 -0.313 -9.658 -3.242 1.00 0.00 C ATOM 510 O GLN A 36 0.393 -9.123 -4.096 1.00 0.00 O ATOM 511 CB GLN A 36 1.385 -11.154 -2.175 1.00 0.00 C ATOM 512 CG GLN A 36 1.754 -12.535 -1.658 1.00 0.00 C ATOM 513 CD GLN A 36 1.772 -12.605 -0.143 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.769 -13.002 0.459 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.666 -12.218 0.480 1.00 0.00 N ATOM 0 H GLN A 36 0.719 -12.330 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.749 -11.341 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.107 -10.855 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.466 -10.436 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.042 -13.265 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.735 -12.813 -2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.137 -11.896 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.619 -12.243 1.499 1.00 0.00 H new ATOM 524 N TRP A 37 -1.354 -9.053 -2.682 1.00 0.00 N ATOM 525 CA TRP A 37 -1.737 -7.694 -3.047 1.00 0.00 C ATOM 526 C TRP A 37 -1.289 -6.698 -1.982 1.00 0.00 C ATOM 527 O TRP A 37 -0.724 -7.082 -0.959 1.00 0.00 O ATOM 528 CB TRP A 37 -3.250 -7.603 -3.243 1.00 0.00 C ATOM 529 CG TRP A 37 -3.723 -8.224 -4.523 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.951 -9.549 -4.756 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.021 -7.543 -5.748 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.374 -9.734 -6.050 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.426 -8.518 -6.678 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.987 -6.204 -6.146 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.793 -8.195 -7.983 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.351 -5.884 -7.441 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.750 -6.877 -8.346 1.00 0.00 C ATOM 0 H TRP A 37 -1.948 -9.482 -1.973 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.241 -7.443 -3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.747 -8.092 -2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.549 -6.555 -3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.818 -10.337 -4.029 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.611 -10.631 -6.474 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.682 -5.433 -5.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.100 -8.958 -8.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.327 -4.853 -7.760 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.029 -6.596 -9.351 1.00 0.00 H new ATOM 548 N ALA A 38 -1.547 -5.418 -2.231 1.00 0.00 N ATOM 549 CA ALA A 38 -1.171 -4.368 -1.293 1.00 0.00 C ATOM 550 C ALA A 38 -2.190 -3.235 -1.301 1.00 0.00 C ATOM 551 O ALA A 38 -2.338 -2.527 -2.297 1.00 0.00 O ATOM 552 CB ALA A 38 0.216 -3.836 -1.625 1.00 0.00 C ATOM 0 H ALA A 38 -2.014 -5.084 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.153 -4.798 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.484 -3.052 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.942 -4.647 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.217 -3.427 -2.636 1.00 0.00 H new ATOM 558 N GLY A 39 -2.891 -3.068 -0.184 1.00 0.00 N ATOM 559 CA GLY A 39 -3.889 -2.019 -0.085 1.00 0.00 C ATOM 560 C GLY A 39 -3.282 -0.675 0.270 1.00 0.00 C ATOM 561 O GLY A 39 -2.517 -0.566 1.228 1.00 0.00 O ATOM 0 H GLY A 39 -2.786 -3.640 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.420 -1.936 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.626 -2.293 0.670 1.00 0.00 H new ATOM 565 N ILE A 40 -3.625 0.350 -0.503 1.00 0.00 N ATOM 566 CA ILE A 40 -3.110 1.692 -0.266 1.00 0.00 C ATOM 567 C ILE A 40 -4.238 2.719 -0.251 1.00 0.00 C ATOM 568 O ILE A 40 -5.224 2.583 -0.974 1.00 0.00 O ATOM 569 CB ILE A 40 -2.077 2.097 -1.336 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.019 1.004 -1.497 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.425 3.422 -0.969 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.327 1.026 -2.842 1.00 0.00 C ATOM 0 H ILE A 40 -4.258 0.276 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.623 1.675 0.709 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.593 2.219 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.272 1.114 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.489 0.031 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.698 3.694 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.189 4.197 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.921 3.325 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.410 0.224 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.064 0.885 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.172 1.985 -2.979 1.00 0.00 H new ATOM 584 N VAL A 41 -4.086 3.746 0.578 1.00 0.00 N ATOM 585 CA VAL A 41 -5.091 4.795 0.687 1.00 0.00 C ATOM 586 C VAL A 41 -4.645 6.059 -0.040 1.00 0.00 C ATOM 587 O VAL A 41 -3.829 6.826 0.470 1.00 0.00 O ATOM 588 CB VAL A 41 -5.386 5.140 2.158 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.573 6.086 2.258 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.634 3.874 2.964 1.00 0.00 C ATOM 0 H VAL A 41 -3.276 3.874 1.184 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.000 4.412 0.223 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.514 5.644 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.766 6.318 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.352 7.006 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.453 5.613 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.841 4.138 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.488 3.339 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.751 3.236 2.921 1.00 0.00 H new ATOM 600 N LEU A 42 -5.189 6.270 -1.234 1.00 0.00 N ATOM 601 CA LEU A 42 -4.849 7.442 -2.032 1.00 0.00 C ATOM 602 C LEU A 42 -5.284 8.724 -1.331 1.00 0.00 C ATOM 603 O LEU A 42 -6.369 8.790 -0.751 1.00 0.00 O ATOM 604 CB LEU A 42 -5.504 7.354 -3.412 1.00 0.00 C ATOM 605 CG LEU A 42 -5.251 6.049 -4.167 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.206 5.919 -5.343 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.806 5.981 -4.641 1.00 0.00 C ATOM 0 H LEU A 42 -5.867 5.645 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.766 7.465 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.580 7.486 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.145 8.184 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.430 5.216 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.011 4.984 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.234 5.923 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.059 6.756 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.642 5.046 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.601 6.820 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.138 6.028 -3.781 1.00 0.00 H new ATOM 619 N ASP A 43 -4.431 9.742 -1.385 1.00 0.00 N ATOM 620 CA ASP A 43 -4.728 11.023 -0.754 1.00 0.00 C ATOM 621 C ASP A 43 -5.950 11.674 -1.394 1.00 0.00 C ATOM 622 O ASP A 43 -6.804 12.229 -0.702 1.00 0.00 O ATOM 623 CB ASP A 43 -3.523 11.958 -0.859 1.00 0.00 C ATOM 624 CG ASP A 43 -3.101 12.199 -2.296 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.840 11.210 -3.012 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.032 13.378 -2.704 1.00 0.00 O ATOM 0 H ASP A 43 -3.529 9.705 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.946 10.840 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.765 12.912 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.687 11.532 -0.304 1.00 0.00 H new ATOM 631 N GLU A 44 -6.025 11.604 -2.719 1.00 0.00 N ATOM 632 CA GLU A 44 -7.143 12.187 -3.453 1.00 0.00 C ATOM 633 C GLU A 44 -8.110 11.104 -3.925 1.00 0.00 C ATOM 634 O GLU A 44 -7.702 9.975 -4.201 1.00 0.00 O ATOM 635 CB GLU A 44 -6.631 12.989 -4.650 1.00 0.00 C ATOM 636 CG GLU A 44 -5.537 13.982 -4.295 1.00 0.00 C ATOM 637 CD GLU A 44 -5.490 15.162 -5.246 1.00 0.00 C ATOM 638 OE1 GLU A 44 -5.691 14.953 -6.461 1.00 0.00 O ATOM 639 OE2 GLU A 44 -5.252 16.294 -4.776 1.00 0.00 O ATOM 0 H GLU A 44 -5.326 11.150 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.678 12.856 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.253 12.299 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.466 13.526 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.696 14.345 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.573 13.474 -4.305 1.00 0.00 H new ATOM 646 N PRO A 45 -9.408 11.434 -4.025 1.00 0.00 N ATOM 647 CA PRO A 45 -10.432 10.482 -4.468 1.00 0.00 C ATOM 648 C PRO A 45 -10.314 10.153 -5.952 1.00 0.00 C ATOM 649 O PRO A 45 -10.974 10.768 -6.790 1.00 0.00 O ATOM 650 CB PRO A 45 -11.745 11.217 -4.187 1.00 0.00 C ATOM 651 CG PRO A 45 -11.388 12.661 -4.236 1.00 0.00 C ATOM 652 CD PRO A 45 -9.980 12.759 -3.717 1.00 0.00 C ATOM 0 HA PRO A 45 -10.346 9.524 -3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.503 10.971 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.152 10.943 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.456 13.045 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.071 13.252 -3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.426 13.559 -4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.960 12.966 -2.647 1.00 0.00 H new ATOM 660 N ILE A 46 -9.466 9.180 -6.271 1.00 0.00 N ATOM 661 CA ILE A 46 -9.261 8.769 -7.655 1.00 0.00 C ATOM 662 C ILE A 46 -9.084 7.258 -7.758 1.00 0.00 C ATOM 663 O ILE A 46 -8.381 6.764 -8.641 1.00 0.00 O ATOM 664 CB ILE A 46 -8.030 9.461 -8.271 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.778 9.153 -7.447 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.256 10.963 -8.361 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.514 9.079 -8.275 1.00 0.00 C ATOM 0 H ILE A 46 -8.910 8.662 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.151 9.068 -8.209 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.882 9.075 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.658 9.921 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.919 8.205 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.378 11.438 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.126 11.163 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.427 11.366 -7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.667 8.858 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.614 8.292 -9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.349 10.034 -8.774 1.00 0.00 H new ATOM 679 N GLY A 47 -9.727 6.528 -6.853 1.00 0.00 N ATOM 680 CA GLY A 47 -9.628 5.080 -6.860 1.00 0.00 C ATOM 681 C GLY A 47 -10.919 4.412 -7.291 1.00 0.00 C ATOM 682 O GLY A 47 -11.671 4.961 -8.097 1.00 0.00 O ATOM 0 H GLY A 47 -10.315 6.913 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.824 4.777 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.358 4.733 -5.863 1.00 0.00 H new ATOM 686 N LYS A 48 -11.178 3.225 -6.753 1.00 0.00 N ATOM 687 CA LYS A 48 -12.387 2.481 -7.087 1.00 0.00 C ATOM 688 C LYS A 48 -13.042 1.916 -5.831 1.00 0.00 C ATOM 689 O LYS A 48 -14.252 2.037 -5.641 1.00 0.00 O ATOM 690 CB LYS A 48 -12.062 1.348 -8.061 1.00 0.00 C ATOM 691 CG LYS A 48 -11.381 1.819 -9.336 1.00 0.00 C ATOM 692 CD LYS A 48 -12.377 2.444 -10.300 1.00 0.00 C ATOM 693 CE LYS A 48 -11.992 2.183 -11.748 1.00 0.00 C ATOM 694 NZ LYS A 48 -12.835 1.121 -12.363 1.00 0.00 N ATOM 0 H LYS A 48 -10.567 2.757 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.087 3.168 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.419 0.624 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.984 0.829 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.607 2.545 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.886 0.976 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.372 2.041 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.429 3.519 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.092 3.104 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.944 1.889 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.541 0.973 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.720 0.235 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.833 1.413 -12.339 1.00 0.00 H new ATOM 708 N ASN A 49 -12.233 1.297 -4.976 1.00 0.00 N ATOM 709 CA ASN A 49 -12.734 0.712 -3.738 1.00 0.00 C ATOM 710 C ASN A 49 -12.506 1.655 -2.561 1.00 0.00 C ATOM 711 O ASN A 49 -11.861 2.693 -2.700 1.00 0.00 O ATOM 712 CB ASN A 49 -12.052 -0.631 -3.470 1.00 0.00 C ATOM 713 CG ASN A 49 -12.142 -1.571 -4.656 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.218 -1.779 -5.218 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.010 -2.146 -5.044 1.00 0.00 N ATOM 0 H ASN A 49 -11.229 1.188 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.806 0.550 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.004 -0.461 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.511 -1.102 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.010 -2.788 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.141 -1.945 -4.550 1.00 0.00 H new ATOM 722 N ASP A 50 -13.040 1.284 -1.401 1.00 0.00 N ATOM 723 CA ASP A 50 -12.895 2.097 -0.199 1.00 0.00 C ATOM 724 C ASP A 50 -12.618 1.221 1.019 1.00 0.00 C ATOM 725 O ASP A 50 -13.109 1.491 2.116 1.00 0.00 O ATOM 726 CB ASP A 50 -14.156 2.930 0.034 1.00 0.00 C ATOM 727 CG ASP A 50 -15.392 2.070 0.220 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.779 1.372 -0.740 1.00 0.00 O ATOM 729 OD2 ASP A 50 -15.972 2.095 1.326 1.00 0.00 O ATOM 0 H ASP A 50 -13.576 0.427 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.047 2.767 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.017 3.556 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.307 3.600 -0.812 1.00 0.00 H new ATOM 734 N GLY A 51 -11.827 0.172 0.819 1.00 0.00 N ATOM 735 CA GLY A 51 -11.498 -0.728 1.909 1.00 0.00 C ATOM 736 C GLY A 51 -12.239 -2.047 1.817 1.00 0.00 C ATOM 737 O GLY A 51 -11.736 -3.082 2.255 1.00 0.00 O ATOM 0 H GLY A 51 -11.408 -0.071 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.425 -0.917 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.736 -0.247 2.858 1.00 0.00 H new ATOM 741 N SER A 52 -13.439 -2.010 1.248 1.00 0.00 N ATOM 742 CA SER A 52 -14.253 -3.211 1.100 1.00 0.00 C ATOM 743 C SER A 52 -14.433 -3.569 -0.372 1.00 0.00 C ATOM 744 O SER A 52 -15.190 -2.919 -1.091 1.00 0.00 O ATOM 745 CB SER A 52 -15.620 -3.012 1.758 1.00 0.00 C ATOM 746 OG SER A 52 -16.087 -1.688 1.570 1.00 0.00 O ATOM 0 H SER A 52 -13.870 -1.161 0.882 1.00 0.00 H new ATOM 0 HA SER A 52 -13.735 -4.032 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.336 -3.717 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.549 -3.228 2.824 1.00 0.00 H new ATOM 0 HG SER A 52 -16.963 -1.586 1.998 1.00 0.00 H new ATOM 752 N VAL A 53 -13.730 -4.608 -0.813 1.00 0.00 N ATOM 753 CA VAL A 53 -13.812 -5.052 -2.199 1.00 0.00 C ATOM 754 C VAL A 53 -14.746 -6.249 -2.337 1.00 0.00 C ATOM 755 O VAL A 53 -14.435 -7.349 -1.879 1.00 0.00 O ATOM 756 CB VAL A 53 -12.424 -5.431 -2.750 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.499 -5.708 -4.245 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.413 -4.335 -2.453 1.00 0.00 C ATOM 0 H VAL A 53 -13.098 -5.157 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.208 -4.217 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.093 -6.342 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.509 -5.974 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.189 -6.532 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.853 -4.817 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.439 -4.621 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.736 -3.405 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.338 -4.192 -1.375 1.00 0.00 H new ATOM 768 N ALA A 54 -15.891 -6.029 -2.974 1.00 0.00 N ATOM 769 CA ALA A 54 -16.872 -7.090 -3.173 1.00 0.00 C ATOM 770 C ALA A 54 -17.350 -7.654 -1.839 1.00 0.00 C ATOM 771 O ALA A 54 -17.694 -8.831 -1.739 1.00 0.00 O ATOM 772 CB ALA A 54 -16.282 -8.196 -4.035 1.00 0.00 C ATOM 0 H ALA A 54 -16.163 -5.125 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.734 -6.664 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.024 -8.982 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.996 -7.788 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.403 -8.611 -3.543 1.00 0.00 H new ATOM 778 N GLY A 55 -17.367 -6.805 -0.817 1.00 0.00 N ATOM 779 CA GLY A 55 -17.805 -7.237 0.497 1.00 0.00 C ATOM 780 C GLY A 55 -16.644 -7.532 1.428 1.00 0.00 C ATOM 781 O GLY A 55 -16.759 -7.375 2.643 1.00 0.00 O ATOM 0 H GLY A 55 -17.086 -5.826 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.434 -6.464 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.421 -8.130 0.396 1.00 0.00 H new ATOM 785 N VAL A 56 -15.524 -7.962 0.855 1.00 0.00 N ATOM 786 CA VAL A 56 -14.339 -8.281 1.641 1.00 0.00 C ATOM 787 C VAL A 56 -13.671 -7.014 2.165 1.00 0.00 C ATOM 788 O VAL A 56 -13.150 -6.210 1.392 1.00 0.00 O ATOM 789 CB VAL A 56 -13.314 -9.084 0.815 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.158 -9.540 1.692 1.00 0.00 C ATOM 791 CG2 VAL A 56 -13.983 -10.274 0.142 1.00 0.00 C ATOM 0 H VAL A 56 -15.413 -8.097 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.672 -8.889 2.482 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.914 -8.433 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.446 -10.105 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.661 -8.670 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.538 -10.173 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.244 -10.828 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.413 -10.927 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.772 -9.920 -0.522 1.00 0.00 H new ATOM 801 N ARG A 57 -13.690 -6.842 3.483 1.00 0.00 N ATOM 802 CA ARG A 57 -13.088 -5.672 4.110 1.00 0.00 C ATOM 803 C ARG A 57 -11.621 -5.929 4.446 1.00 0.00 C ATOM 804 O ARG A 57 -11.284 -6.938 5.066 1.00 0.00 O ATOM 805 CB ARG A 57 -13.854 -5.295 5.379 1.00 0.00 C ATOM 806 CG ARG A 57 -13.570 -3.884 5.865 1.00 0.00 C ATOM 807 CD ARG A 57 -14.662 -3.386 6.798 1.00 0.00 C ATOM 808 NE ARG A 57 -15.688 -2.627 6.085 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.904 -2.387 6.571 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.250 -2.842 7.768 1.00 0.00 N ATOM 811 NH2 ARG A 57 -17.776 -1.688 5.857 1.00 0.00 N ATOM 0 H ARG A 57 -14.116 -7.499 4.137 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.142 -4.845 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.923 -5.397 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.600 -6.001 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.611 -3.862 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.487 -3.213 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.124 -4.235 7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.219 -2.759 7.572 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.459 -2.260 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.583 -3.379 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.183 -2.655 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.515 -1.335 4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.708 -1.504 6.228 1.00 0.00 H new ATOM 825 N TYR A 58 -10.755 -5.010 4.031 1.00 0.00 N ATOM 826 CA TYR A 58 -9.325 -5.137 4.289 1.00 0.00 C ATOM 827 C TYR A 58 -8.837 -4.025 5.211 1.00 0.00 C ATOM 828 O TYR A 58 -7.997 -4.249 6.081 1.00 0.00 O ATOM 829 CB TYR A 58 -8.544 -5.103 2.974 1.00 0.00 C ATOM 830 CG TYR A 58 -8.933 -6.202 2.010 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.336 -7.456 2.080 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.894 -5.987 1.032 1.00 0.00 C ATOM 833 CE1 TYR A 58 -8.688 -8.463 1.201 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.251 -6.989 0.149 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.646 -8.224 0.238 1.00 0.00 C ATOM 836 OH TYR A 58 -9.999 -9.225 -0.639 1.00 0.00 O ATOM 0 H TYR A 58 -11.018 -4.170 3.515 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.154 -6.094 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.700 -4.137 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.479 -5.182 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.586 -7.646 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.371 -5.021 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.215 -9.432 1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.000 -6.805 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.201 -8.836 -1.516 1.00 0.00 H new ATOM 846 N PHE A 59 -9.370 -2.824 5.013 1.00 0.00 N ATOM 847 CA PHE A 59 -8.990 -1.674 5.827 1.00 0.00 C ATOM 848 C PHE A 59 -10.104 -0.633 5.852 1.00 0.00 C ATOM 849 O PHE A 59 -11.024 -0.674 5.034 1.00 0.00 O ATOM 850 CB PHE A 59 -7.701 -1.048 5.292 1.00 0.00 C ATOM 851 CG PHE A 59 -7.738 -0.768 3.816 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.587 -1.795 2.899 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.925 0.523 3.348 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.621 -1.540 1.540 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.960 0.784 1.991 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.807 -0.248 1.086 1.00 0.00 C ATOM 0 H PHE A 59 -10.066 -2.621 4.296 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.820 -2.021 6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.510 -0.117 5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.866 -1.715 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.441 -2.806 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.045 1.334 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.502 -2.349 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.107 1.794 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.833 -0.046 0.025 1.00 0.00 H new ATOM 866 N GLN A 60 -10.014 0.300 6.794 1.00 0.00 N ATOM 867 CA GLN A 60 -11.015 1.352 6.925 1.00 0.00 C ATOM 868 C GLN A 60 -10.487 2.676 6.382 1.00 0.00 C ATOM 869 O GLN A 60 -9.574 3.273 6.952 1.00 0.00 O ATOM 870 CB GLN A 60 -11.425 1.516 8.390 1.00 0.00 C ATOM 871 CG GLN A 60 -12.870 1.951 8.571 1.00 0.00 C ATOM 872 CD GLN A 60 -13.006 3.446 8.787 1.00 0.00 C ATOM 873 OE1 GLN A 60 -12.322 4.028 9.628 1.00 0.00 O ATOM 874 NE2 GLN A 60 -13.896 4.075 8.027 1.00 0.00 N ATOM 0 H GLN A 60 -9.258 0.349 7.478 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.888 1.062 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.271 0.571 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.771 2.250 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.446 1.661 7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.300 1.424 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.442 3.552 7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.033 5.081 8.129 1.00 0.00 H new ATOM 883 N CYS A 61 -11.068 3.129 5.276 1.00 0.00 N ATOM 884 CA CYS A 61 -10.657 4.383 4.656 1.00 0.00 C ATOM 885 C CYS A 61 -11.863 5.151 4.128 1.00 0.00 C ATOM 886 O CYS A 61 -13.008 4.752 4.344 1.00 0.00 O ATOM 887 CB CYS A 61 -9.670 4.113 3.517 1.00 0.00 C ATOM 888 SG CYS A 61 -10.367 3.166 2.144 1.00 0.00 S ATOM 0 H CYS A 61 -11.825 2.647 4.791 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.167 4.992 5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.301 5.066 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.810 3.575 3.916 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.783 2.007 2.076 1.00 0.00 H new ATOM 894 N GLU A 62 -11.601 6.254 3.434 1.00 0.00 N ATOM 895 CA GLU A 62 -12.667 7.078 2.876 1.00 0.00 C ATOM 896 C GLU A 62 -13.068 6.585 1.488 1.00 0.00 C ATOM 897 O GLU A 62 -12.334 5.828 0.852 1.00 0.00 O ATOM 898 CB GLU A 62 -12.226 8.541 2.803 1.00 0.00 C ATOM 899 CG GLU A 62 -12.507 9.325 4.074 1.00 0.00 C ATOM 900 CD GLU A 62 -13.991 9.475 4.350 1.00 0.00 C ATOM 901 OE1 GLU A 62 -14.686 10.113 3.531 1.00 0.00 O ATOM 902 OE2 GLU A 62 -14.458 8.953 5.384 1.00 0.00 O ATOM 0 H GLU A 62 -10.660 6.598 3.245 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.533 7.000 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.158 8.580 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.734 9.024 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.033 8.824 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.054 10.313 3.995 1.00 0.00 H new ATOM 909 N PRO A 63 -14.246 7.007 0.998 1.00 0.00 N ATOM 910 CA PRO A 63 -14.746 6.604 -0.321 1.00 0.00 C ATOM 911 C PRO A 63 -13.787 6.974 -1.447 1.00 0.00 C ATOM 912 O PRO A 63 -13.225 8.069 -1.462 1.00 0.00 O ATOM 913 CB PRO A 63 -16.055 7.385 -0.468 1.00 0.00 C ATOM 914 CG PRO A 63 -16.465 7.712 0.926 1.00 0.00 C ATOM 915 CD PRO A 63 -15.187 7.904 1.692 1.00 0.00 C ATOM 0 HA PRO A 63 -14.867 5.523 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.911 8.289 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.815 6.790 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.077 8.614 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.063 6.909 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.852 8.941 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.301 7.635 2.742 1.00 0.00 H new ATOM 923 N LEU A 64 -13.612 6.057 -2.391 1.00 0.00 N ATOM 924 CA LEU A 64 -12.730 6.286 -3.529 1.00 0.00 C ATOM 925 C LEU A 64 -11.322 6.663 -3.075 1.00 0.00 C ATOM 926 O LEU A 64 -10.592 7.345 -3.793 1.00 0.00 O ATOM 927 CB LEU A 64 -13.302 7.389 -4.420 1.00 0.00 C ATOM 928 CG LEU A 64 -14.730 7.148 -4.912 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.282 8.397 -5.580 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.770 5.967 -5.870 1.00 0.00 C ATOM 0 H LEU A 64 -14.070 5.146 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.665 5.357 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.278 8.329 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.651 7.510 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.357 6.914 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.299 8.207 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.289 9.219 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.655 8.662 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.793 5.809 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.130 6.173 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.416 5.072 -5.359 1.00 0.00 H new ATOM 942 N LYS A 65 -10.944 6.212 -1.882 1.00 0.00 N ATOM 943 CA LYS A 65 -9.621 6.504 -1.341 1.00 0.00 C ATOM 944 C LYS A 65 -8.889 5.217 -0.977 1.00 0.00 C ATOM 945 O LYS A 65 -8.186 5.153 0.032 1.00 0.00 O ATOM 946 CB LYS A 65 -9.736 7.410 -0.113 1.00 0.00 C ATOM 947 CG LYS A 65 -9.671 8.892 -0.442 1.00 0.00 C ATOM 948 CD LYS A 65 -9.039 9.687 0.689 1.00 0.00 C ATOM 949 CE LYS A 65 -9.405 11.160 0.607 1.00 0.00 C ATOM 950 NZ LYS A 65 -8.912 11.922 1.788 1.00 0.00 N ATOM 0 H LYS A 65 -11.534 5.644 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.046 7.022 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.677 7.200 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.935 7.166 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.096 9.038 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.676 9.267 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.366 9.282 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.955 9.578 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.984 11.588 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.488 11.261 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.182 12.922 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.333 11.530 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.876 11.847 1.842 1.00 0.00 H new ATOM 964 N GLY A 66 -9.060 4.192 -1.806 1.00 0.00 N ATOM 965 CA GLY A 66 -8.410 2.919 -1.557 1.00 0.00 C ATOM 966 C GLY A 66 -8.404 2.024 -2.780 1.00 0.00 C ATOM 967 O GLY A 66 -9.453 1.760 -3.369 1.00 0.00 O ATOM 0 H GLY A 66 -9.638 4.221 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.384 3.095 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.918 2.408 -0.739 1.00 0.00 H new ATOM 971 N ILE A 67 -7.221 1.558 -3.165 1.00 0.00 N ATOM 972 CA ILE A 67 -7.084 0.689 -4.326 1.00 0.00 C ATOM 973 C ILE A 67 -6.077 -0.426 -4.062 1.00 0.00 C ATOM 974 O ILE A 67 -5.220 -0.307 -3.186 1.00 0.00 O ATOM 975 CB ILE A 67 -6.647 1.484 -5.574 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.611 0.574 -6.804 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.288 2.130 -5.346 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.398 1.321 -8.103 1.00 0.00 C ATOM 0 H ILE A 67 -6.343 1.768 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.064 0.250 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.377 2.274 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.813 -0.159 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.547 0.019 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.996 2.687 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.346 2.810 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.547 1.357 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.383 0.613 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.209 2.035 -8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.448 1.854 -8.065 1.00 0.00 H new ATOM 990 N PHE A 68 -6.185 -1.509 -4.825 1.00 0.00 N ATOM 991 CA PHE A 68 -5.284 -2.645 -4.675 1.00 0.00 C ATOM 992 C PHE A 68 -4.403 -2.808 -5.909 1.00 0.00 C ATOM 993 O PHE A 68 -4.888 -2.762 -7.040 1.00 0.00 O ATOM 994 CB PHE A 68 -6.082 -3.927 -4.430 1.00 0.00 C ATOM 995 CG PHE A 68 -6.449 -4.139 -2.990 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.489 -4.521 -2.065 1.00 0.00 C ATOM 997 CD2 PHE A 68 -7.754 -3.958 -2.559 1.00 0.00 C ATOM 998 CE1 PHE A 68 -5.824 -4.717 -0.740 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.094 -4.153 -1.234 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.128 -4.533 -0.323 1.00 0.00 C ATOM 0 H PHE A 68 -6.889 -1.623 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.641 -2.456 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.993 -3.898 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.499 -4.780 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.468 -4.667 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.514 -3.661 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.067 -5.014 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.114 -4.008 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.392 -4.686 0.713 1.00 0.00 H new ATOM 1010 N THR A 69 -3.108 -3.000 -5.685 1.00 0.00 N ATOM 1011 CA THR A 69 -2.160 -3.171 -6.779 1.00 0.00 C ATOM 1012 C THR A 69 -1.000 -4.068 -6.358 1.00 0.00 C ATOM 1013 O THR A 69 -0.746 -4.254 -5.169 1.00 0.00 O ATOM 1014 CB THR A 69 -1.627 -1.812 -7.238 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.732 -1.966 -8.326 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.899 -1.056 -6.149 1.00 0.00 C ATOM 0 H THR A 69 -2.691 -3.041 -4.755 1.00 0.00 H new ATOM 0 HA THR A 69 -2.683 -3.647 -7.608 1.00 0.00 H new ATOM 0 HB THR A 69 -2.508 -1.240 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.403 -1.086 -8.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.547 -0.102 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.577 -0.877 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.047 -1.643 -5.805 1.00 0.00 H new ATOM 1024 N ARG A 70 -0.300 -4.621 -7.344 1.00 0.00 N ATOM 1025 CA ARG A 70 0.833 -5.499 -7.077 1.00 0.00 C ATOM 1026 C ARG A 70 1.919 -4.763 -6.292 1.00 0.00 C ATOM 1027 O ARG A 70 2.424 -3.733 -6.739 1.00 0.00 O ATOM 1028 CB ARG A 70 1.410 -6.032 -8.389 1.00 0.00 C ATOM 1029 CG ARG A 70 0.622 -7.192 -8.975 1.00 0.00 C ATOM 1030 CD ARG A 70 1.539 -8.241 -9.588 1.00 0.00 C ATOM 1031 NE ARG A 70 1.287 -8.419 -11.016 1.00 0.00 N ATOM 1032 CZ ARG A 70 0.238 -9.074 -11.508 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.659 -9.614 -10.692 1.00 0.00 N ATOM 1034 NH2 ARG A 70 0.086 -9.190 -12.820 1.00 0.00 N ATOM 0 H ARG A 70 -0.498 -4.476 -8.334 1.00 0.00 H new ATOM 0 HA ARG A 70 0.479 -6.337 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.443 -5.222 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.439 -6.351 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.014 -7.651 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.064 -6.819 -9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.578 -7.948 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.398 -9.191 -9.073 1.00 0.00 H new ATOM 0 HE ARG A 70 1.954 -8.018 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.546 -9.528 -9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.461 -10.115 -11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.773 -8.777 -13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.718 -9.692 -13.198 1.00 0.00 H new ATOM 1048 N PRO A 71 2.297 -5.280 -5.108 1.00 0.00 N ATOM 1049 CA PRO A 71 3.330 -4.658 -4.272 1.00 0.00 C ATOM 1050 C PRO A 71 4.644 -4.476 -5.024 1.00 0.00 C ATOM 1051 O PRO A 71 5.373 -3.510 -4.798 1.00 0.00 O ATOM 1052 CB PRO A 71 3.512 -5.647 -3.118 1.00 0.00 C ATOM 1053 CG PRO A 71 2.242 -6.424 -3.073 1.00 0.00 C ATOM 1054 CD PRO A 71 1.755 -6.505 -4.492 1.00 0.00 C ATOM 0 HA PRO A 71 3.039 -3.659 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.368 -6.300 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.690 -5.127 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.408 -7.419 -2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.507 -5.933 -2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.120 -7.402 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.667 -6.533 -4.543 1.00 0.00 H new ATOM 1062 N SER A 72 4.940 -5.412 -5.919 1.00 0.00 N ATOM 1063 CA SER A 72 6.167 -5.359 -6.705 1.00 0.00 C ATOM 1064 C SER A 72 6.245 -4.066 -7.515 1.00 0.00 C ATOM 1065 O SER A 72 7.334 -3.608 -7.864 1.00 0.00 O ATOM 1066 CB SER A 72 6.249 -6.565 -7.644 1.00 0.00 C ATOM 1067 OG SER A 72 5.289 -6.470 -8.682 1.00 0.00 O ATOM 0 H SER A 72 4.346 -6.217 -6.118 1.00 0.00 H new ATOM 0 HA SER A 72 7.009 -5.384 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.249 -6.628 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.087 -7.482 -7.078 1.00 0.00 H new ATOM 0 HG SER A 72 5.363 -7.251 -9.269 1.00 0.00 H new ATOM 1073 N LYS A 73 5.087 -3.482 -7.810 1.00 0.00 N ATOM 1074 CA LYS A 73 5.032 -2.244 -8.578 1.00 0.00 C ATOM 1075 C LYS A 73 4.885 -1.035 -7.658 1.00 0.00 C ATOM 1076 O LYS A 73 4.260 -0.039 -8.021 1.00 0.00 O ATOM 1077 CB LYS A 73 3.867 -2.287 -9.570 1.00 0.00 C ATOM 1078 CG LYS A 73 4.191 -3.030 -10.856 1.00 0.00 C ATOM 1079 CD LYS A 73 5.243 -2.301 -11.675 1.00 0.00 C ATOM 1080 CE LYS A 73 4.784 -0.902 -12.056 1.00 0.00 C ATOM 1081 NZ LYS A 73 5.729 -0.245 -13.000 1.00 0.00 N ATOM 0 H LYS A 73 4.176 -3.846 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 73 5.968 -2.147 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.010 -2.762 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.571 -1.267 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.545 -4.033 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.283 -3.145 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.170 -2.238 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.462 -2.871 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.795 -0.956 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.688 -0.294 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.380 0.706 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.667 -0.170 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.801 -0.811 -13.869 1.00 0.00 H new ATOM 1095 N LEU A 74 5.469 -1.129 -6.467 1.00 0.00 N ATOM 1096 CA LEU A 74 5.406 -0.042 -5.498 1.00 0.00 C ATOM 1097 C LEU A 74 6.806 0.431 -5.122 1.00 0.00 C ATOM 1098 O LEU A 74 7.736 -0.369 -5.022 1.00 0.00 O ATOM 1099 CB LEU A 74 4.653 -0.491 -4.243 1.00 0.00 C ATOM 1100 CG LEU A 74 3.134 -0.578 -4.397 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.517 -1.295 -3.206 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.533 0.811 -4.554 1.00 0.00 C ATOM 0 H LEU A 74 5.991 -1.947 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 74 4.870 0.789 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.029 -1.469 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.882 0.202 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 74 2.912 -1.152 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.436 -1.347 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.924 -2.304 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.749 -0.748 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.451 0.729 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.765 1.410 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.951 1.290 -5.439 1.00 0.00 H new ATOM 1114 N THR A 75 6.950 1.736 -4.916 1.00 0.00 N ATOM 1115 CA THR A 75 8.239 2.314 -4.552 1.00 0.00 C ATOM 1116 C THR A 75 8.058 3.512 -3.626 1.00 0.00 C ATOM 1117 O THR A 75 7.109 4.282 -3.768 1.00 0.00 O ATOM 1118 CB THR A 75 9.004 2.739 -5.808 1.00 0.00 C ATOM 1119 OG1 THR A 75 10.162 3.478 -5.464 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.179 3.588 -6.752 1.00 0.00 C ATOM 0 H THR A 75 6.191 2.413 -4.995 1.00 0.00 H new ATOM 0 HA THR A 75 8.813 1.553 -4.024 1.00 0.00 H new ATOM 0 HB THR A 75 9.266 1.811 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.638 3.739 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.780 3.855 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.303 3.026 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.859 4.495 -6.240 1.00 0.00 H new ATOM 1128 N ARG A 76 8.976 3.662 -2.677 1.00 0.00 N ATOM 1129 CA ARG A 76 8.920 4.766 -1.726 1.00 0.00 C ATOM 1130 C ARG A 76 9.560 6.020 -2.313 1.00 0.00 C ATOM 1131 O ARG A 76 10.755 6.041 -2.604 1.00 0.00 O ATOM 1132 CB ARG A 76 9.623 4.382 -0.423 1.00 0.00 C ATOM 1133 CG ARG A 76 9.167 5.198 0.777 1.00 0.00 C ATOM 1134 CD ARG A 76 10.289 5.374 1.787 1.00 0.00 C ATOM 1135 NE ARG A 76 10.629 4.120 2.454 1.00 0.00 N ATOM 1136 CZ ARG A 76 11.417 4.038 3.523 1.00 0.00 C ATOM 1137 NH1 ARG A 76 11.947 5.135 4.051 1.00 0.00 N ATOM 1138 NH2 ARG A 76 11.675 2.857 4.068 1.00 0.00 N ATOM 0 H ARG A 76 9.768 3.033 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 76 7.872 4.978 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.446 3.325 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.698 4.507 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.819 6.176 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.320 4.704 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.172 5.767 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.993 6.112 2.532 1.00 0.00 H new ATOM 0 HE ARG A 76 10.239 3.256 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.751 6.046 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.550 5.066 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.269 2.011 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.279 2.795 4.887 1.00 0.00 H new ATOM 1152 N LYS A 77 8.756 7.065 -2.483 1.00 0.00 N ATOM 1153 CA LYS A 77 9.244 8.323 -3.035 1.00 0.00 C ATOM 1154 C LYS A 77 9.779 8.124 -4.451 1.00 0.00 C ATOM 1155 O LYS A 77 10.112 7.008 -4.848 1.00 0.00 O ATOM 1156 CB LYS A 77 10.338 8.907 -2.138 1.00 0.00 C ATOM 1157 CG LYS A 77 10.079 10.348 -1.723 1.00 0.00 C ATOM 1158 CD LYS A 77 10.273 10.543 -0.227 1.00 0.00 C ATOM 1159 CE LYS A 77 9.116 9.959 0.569 1.00 0.00 C ATOM 1160 NZ LYS A 77 9.568 8.896 1.509 1.00 0.00 N ATOM 0 H LYS A 77 7.764 7.065 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 77 8.409 9.022 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.431 8.291 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.293 8.854 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.752 11.011 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.063 10.630 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.205 10.070 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.366 11.607 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.624 10.754 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.376 9.546 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.750 8.524 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.015 8.125 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.255 9.295 2.180 1.00 0.00 H new