USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= -0.511 K(o=-0.68,f=1.7) USER MOD Set 1.2: A 80 GLN : amide:sc= -0.166 K(o=-0.68,f=1.7) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.887 K(o=-0.89,f=-4.8!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 14:sc= 0.839 USER MOD Single : A 57 SER OG : rot -100:sc= 0.47 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=-0.31) USER MOD Single : A 62 ASN : amide:sc= -3.06 K(o=-3.1,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc=-0.00327 X(o=-0.0033,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.89! K(o=-3.9!,f=-0.67) USER MOD Single : A 68 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.597) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 85 HIS : no HD1:sc= -0.835 X(o=-0.83,f=-0.95) USER MOD Single : A 93 ASN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 96 GLN : amide:sc= 1.12 K(o=1.1,f=-0.082) USER MOD Single : A 99 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-2.9!) USER MOD Single : A 101 THR OG1 : rot 82:sc= -0.0379 USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -0.193 (180deg=-0.926) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.970 -1.754 -15.555 1.00 0.00 N ATOM 119 CA LEU A 13 -9.508 -0.918 -14.488 1.00 0.00 C ATOM 120 C LEU A 13 -8.390 -0.182 -13.757 1.00 0.00 C ATOM 121 O LEU A 13 -8.592 0.913 -13.231 1.00 0.00 O ATOM 122 CB LEU A 13 -10.306 -1.769 -13.499 1.00 0.00 C ATOM 123 CG LEU A 13 -11.690 -2.220 -13.967 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.619 -2.790 -15.375 1.00 0.00 C ATOM 125 CD2 LEU A 13 -12.271 -3.244 -13.003 1.00 0.00 C ATOM 0 HA LEU A 13 -10.171 -0.179 -14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.719 -2.655 -13.257 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.423 -1.203 -12.575 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.348 -1.351 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.614 -3.105 -15.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.247 -2.027 -16.058 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.946 -3.647 -15.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.256 -3.554 -13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.614 -4.112 -12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.360 -2.801 -12.011 1.00 0.00 H new ATOM 137 N PHE A 14 -7.208 -0.790 -13.728 1.00 0.00 N ATOM 138 CA PHE A 14 -6.057 -0.192 -13.062 1.00 0.00 C ATOM 139 C PHE A 14 -5.115 0.451 -14.077 1.00 0.00 C ATOM 140 O PHE A 14 -4.987 -0.021 -15.206 1.00 0.00 O ATOM 141 CB PHE A 14 -5.305 -1.249 -12.251 1.00 0.00 C ATOM 142 CG PHE A 14 -6.195 -2.062 -11.355 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.794 -3.222 -11.819 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.433 -1.667 -10.048 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.614 -3.972 -10.997 1.00 0.00 C ATOM 146 CE2 PHE A 14 -7.251 -2.412 -9.221 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.842 -3.567 -9.696 1.00 0.00 C ATOM 0 H PHE A 14 -7.023 -1.696 -14.158 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.421 0.583 -12.388 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.784 -1.918 -12.936 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.544 -0.757 -11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.618 -3.544 -12.835 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.973 -0.765 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.076 -4.874 -11.371 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.428 -2.092 -8.205 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.481 -4.152 -9.051 1.00 0.00 H new ATOM 157 N GLU A 15 -4.460 1.532 -13.664 1.00 0.00 N ATOM 158 CA GLU A 15 -3.532 2.241 -14.537 1.00 0.00 C ATOM 159 C GLU A 15 -2.144 2.317 -13.908 1.00 0.00 C ATOM 160 O GLU A 15 -2.006 2.402 -12.687 1.00 0.00 O ATOM 161 CB GLU A 15 -4.049 3.650 -14.831 1.00 0.00 C ATOM 162 CG GLU A 15 -4.265 4.492 -13.585 1.00 0.00 C ATOM 163 CD GLU A 15 -4.157 5.979 -13.859 1.00 0.00 C ATOM 164 OE1 GLU A 15 -3.354 6.365 -14.734 1.00 0.00 O ATOM 165 OE2 GLU A 15 -4.877 6.758 -13.199 1.00 0.00 O ATOM 0 H GLU A 15 -4.555 1.935 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.458 1.687 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.340 4.159 -15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.990 3.576 -15.377 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.249 4.274 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.531 4.211 -12.830 1.00 0.00 H new ATOM 172 N THR A 16 -1.116 2.287 -14.750 1.00 0.00 N ATOM 173 CA THR A 16 0.261 2.351 -14.278 1.00 0.00 C ATOM 174 C THR A 16 0.901 3.690 -14.629 1.00 0.00 C ATOM 175 O THR A 16 0.625 4.263 -15.683 1.00 0.00 O ATOM 176 CB THR A 16 1.113 1.215 -14.875 1.00 0.00 C ATOM 177 OG1 THR A 16 0.470 -0.045 -14.657 1.00 0.00 O ATOM 178 CG2 THR A 16 2.502 1.196 -14.253 1.00 0.00 C ATOM 0 H THR A 16 -1.211 2.219 -15.763 1.00 0.00 H new ATOM 0 HA THR A 16 0.229 2.240 -13.194 1.00 0.00 H new ATOM 0 HB THR A 16 1.214 1.390 -15.946 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.017 -0.762 -15.041 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.085 0.386 -14.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.000 2.146 -14.446 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.417 1.042 -13.177 1.00 0.00 H new ATOM 186 N TYR A 17 1.757 4.182 -13.741 1.00 0.00 N ATOM 187 CA TYR A 17 2.436 5.455 -13.957 1.00 0.00 C ATOM 188 C TYR A 17 3.858 5.414 -13.407 1.00 0.00 C ATOM 189 O TYR A 17 4.130 4.751 -12.407 1.00 0.00 O ATOM 190 CB TYR A 17 1.654 6.591 -13.296 1.00 0.00 C ATOM 191 CG TYR A 17 1.344 6.345 -11.837 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.230 5.605 -11.458 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.164 6.852 -10.836 1.00 0.00 C ATOM 194 CE1 TYR A 17 -0.058 5.378 -10.127 1.00 0.00 C ATOM 195 CE2 TYR A 17 1.885 6.629 -9.502 1.00 0.00 C ATOM 196 CZ TYR A 17 0.773 5.891 -9.152 1.00 0.00 C ATOM 197 OH TYR A 17 0.490 5.668 -7.824 1.00 0.00 O ATOM 0 H TYR A 17 1.998 3.719 -12.865 1.00 0.00 H new ATOM 0 HA TYR A 17 2.487 5.634 -15.031 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.226 7.515 -13.386 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.720 6.740 -13.837 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.422 5.200 -12.218 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.035 7.431 -11.106 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.929 4.802 -9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.534 7.030 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 17 1.174 6.096 -7.267 1.00 0.00 H new ATOM 207 N ASN A 18 4.762 6.129 -14.069 1.00 0.00 N ATOM 208 CA ASN A 18 6.158 6.175 -13.648 1.00 0.00 C ATOM 209 C ASN A 18 6.438 7.434 -12.834 1.00 0.00 C ATOM 210 O ASN A 18 6.135 8.547 -13.265 1.00 0.00 O ATOM 211 CB ASN A 18 7.082 6.127 -14.867 1.00 0.00 C ATOM 212 CG ASN A 18 6.674 5.054 -15.859 1.00 0.00 C ATOM 213 OD1 ASN A 18 6.220 5.354 -16.963 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.836 3.795 -15.468 1.00 0.00 N ATOM 0 H ASN A 18 4.553 6.684 -14.899 1.00 0.00 H new ATOM 0 HA ASN A 18 6.351 5.306 -13.019 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.076 7.098 -15.363 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.105 5.944 -14.538 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.580 3.030 -16.092 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.216 3.593 -14.543 1.00 0.00 H new ATOM 221 N VAL A 19 7.020 7.251 -11.652 1.00 0.00 N ATOM 222 CA VAL A 19 7.343 8.371 -10.777 1.00 0.00 C ATOM 223 C VAL A 19 8.851 8.523 -10.614 1.00 0.00 C ATOM 224 O VAL A 19 9.513 7.662 -10.036 1.00 0.00 O ATOM 225 CB VAL A 19 6.702 8.201 -9.387 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.623 9.539 -8.668 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.323 7.570 -9.510 1.00 0.00 C ATOM 0 H VAL A 19 7.277 6.337 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 19 6.939 9.267 -11.248 1.00 0.00 H new ATOM 0 HB VAL A 19 7.330 7.535 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.167 9.399 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.627 9.947 -8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.018 10.232 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.885 7.457 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.683 8.209 -10.119 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.412 6.591 -9.981 1.00 0.00 H new ATOM 237 N GLU A 20 9.388 9.626 -11.128 1.00 0.00 N ATOM 238 CA GLU A 20 10.820 9.890 -11.039 1.00 0.00 C ATOM 239 C GLU A 20 11.144 10.716 -9.798 1.00 0.00 C ATOM 240 O GLU A 20 10.946 11.931 -9.777 1.00 0.00 O ATOM 241 CB GLU A 20 11.304 10.622 -12.293 1.00 0.00 C ATOM 242 CG GLU A 20 12.752 11.076 -12.211 1.00 0.00 C ATOM 243 CD GLU A 20 12.921 12.340 -11.391 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.483 13.412 -11.856 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.493 12.255 -10.284 1.00 0.00 O ATOM 0 H GLU A 20 8.854 10.350 -11.609 1.00 0.00 H new ATOM 0 HA GLU A 20 11.337 8.933 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.186 9.966 -13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.669 11.491 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.354 10.280 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.133 11.247 -13.218 1.00 0.00 H new ATOM 252 N LEU A 21 11.643 10.047 -8.764 1.00 0.00 N ATOM 253 CA LEU A 21 11.996 10.718 -7.517 1.00 0.00 C ATOM 254 C LEU A 21 13.446 11.191 -7.544 1.00 0.00 C ATOM 255 O LEU A 21 14.330 10.487 -8.031 1.00 0.00 O ATOM 256 CB LEU A 21 11.775 9.779 -6.330 1.00 0.00 C ATOM 257 CG LEU A 21 10.353 9.246 -6.151 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.259 8.387 -4.900 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.357 10.395 -6.088 1.00 0.00 C ATOM 0 H LEU A 21 11.812 9.041 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 21 11.352 11.590 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.450 8.929 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.062 10.304 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 21 10.107 8.625 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.240 8.016 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.944 7.544 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.525 8.984 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.350 9.997 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.601 11.042 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.406 10.970 -7.013 1.00 0.00 H new ATOM 271 N VAL A 22 13.683 12.387 -7.015 1.00 0.00 N ATOM 272 CA VAL A 22 15.026 12.953 -6.975 1.00 0.00 C ATOM 273 C VAL A 22 15.667 12.750 -5.607 1.00 0.00 C ATOM 274 O VAL A 22 15.022 12.934 -4.574 1.00 0.00 O ATOM 275 CB VAL A 22 15.011 14.457 -7.305 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.229 15.227 -6.252 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.431 14.990 -7.422 1.00 0.00 C ATOM 0 H VAL A 22 12.962 12.983 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 22 15.613 12.429 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 22 14.514 14.596 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.229 16.288 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.202 14.862 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.694 15.084 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.402 16.054 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.955 14.840 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.955 14.458 -8.216 1.00 0.00 H new ATOM 287 N ARG A 23 16.940 12.369 -5.607 1.00 0.00 N ATOM 288 CA ARG A 23 17.669 12.140 -4.365 1.00 0.00 C ATOM 289 C ARG A 23 18.869 13.078 -4.258 1.00 0.00 C ATOM 290 O ARG A 23 19.882 12.887 -4.930 1.00 0.00 O ATOM 291 CB ARG A 23 18.137 10.686 -4.284 1.00 0.00 C ATOM 292 CG ARG A 23 17.008 9.676 -4.410 1.00 0.00 C ATOM 293 CD ARG A 23 17.541 8.255 -4.510 1.00 0.00 C ATOM 294 NE ARG A 23 18.486 7.948 -3.440 1.00 0.00 N ATOM 295 CZ ARG A 23 18.721 6.717 -2.998 1.00 0.00 C ATOM 296 NH1 ARG A 23 18.084 5.684 -3.532 1.00 0.00 N ATOM 297 NH2 ARG A 23 19.596 6.518 -2.020 1.00 0.00 N ATOM 0 H ARG A 23 17.488 12.212 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 23 16.994 12.344 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 18.867 10.503 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 23 18.649 10.530 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.347 9.758 -3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.410 9.905 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.709 7.552 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.029 8.118 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 23 18.993 8.720 -3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.411 5.833 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.267 4.740 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.088 7.310 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.776 5.573 -1.681 1.00 0.00 H new ATOM 311 N LYS A 24 18.746 14.092 -3.409 1.00 0.00 N ATOM 312 CA LYS A 24 19.818 15.060 -3.212 1.00 0.00 C ATOM 313 C LYS A 24 21.107 14.365 -2.786 1.00 0.00 C ATOM 314 O LYS A 24 21.146 13.143 -2.641 1.00 0.00 O ATOM 315 CB LYS A 24 19.413 16.095 -2.160 1.00 0.00 C ATOM 316 CG LYS A 24 18.237 16.960 -2.579 1.00 0.00 C ATOM 317 CD LYS A 24 18.025 18.116 -1.616 1.00 0.00 C ATOM 318 CE LYS A 24 17.234 17.684 -0.391 1.00 0.00 C ATOM 319 NZ LYS A 24 16.976 18.822 0.533 1.00 0.00 N ATOM 0 H LYS A 24 17.914 14.265 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 24 19.995 15.566 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 24 19.162 15.579 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.268 16.737 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.409 17.348 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.334 16.351 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.991 18.513 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.497 18.923 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.285 17.250 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.781 16.904 0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.435 18.486 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.881 19.221 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.432 19.556 0.036 1.00 0.00 H new ATOM 333 N ASP A 25 22.160 15.150 -2.586 1.00 0.00 N ATOM 334 CA ASP A 25 23.450 14.610 -2.173 1.00 0.00 C ATOM 335 C ASP A 25 23.323 13.842 -0.861 1.00 0.00 C ATOM 336 O ASP A 25 23.259 14.437 0.214 1.00 0.00 O ATOM 337 CB ASP A 25 24.474 15.736 -2.024 1.00 0.00 C ATOM 338 CG ASP A 25 23.875 16.985 -1.408 1.00 0.00 C ATOM 339 OD1 ASP A 25 23.399 16.908 -0.256 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.882 18.039 -2.078 1.00 0.00 O ATOM 0 H ASP A 25 22.145 16.163 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 25 23.791 13.920 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 25 25.302 15.391 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.887 15.979 -3.003 1.00 0.00 H new ATOM 345 N GLY A 26 23.287 12.517 -0.958 1.00 0.00 N ATOM 346 CA GLY A 26 23.167 11.690 0.229 1.00 0.00 C ATOM 347 C GLY A 26 21.735 11.275 0.504 1.00 0.00 C ATOM 348 O GLY A 26 21.470 10.118 0.831 1.00 0.00 O ATOM 0 H GLY A 26 23.339 12.001 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.784 10.799 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.556 12.236 1.089 1.00 0.00 H new ATOM 352 N GLN A 27 20.811 12.221 0.373 1.00 0.00 N ATOM 353 CA GLN A 27 19.399 11.947 0.612 1.00 0.00 C ATOM 354 C GLN A 27 19.026 10.549 0.131 1.00 0.00 C ATOM 355 O GLN A 27 19.529 10.078 -0.889 1.00 0.00 O ATOM 356 CB GLN A 27 18.529 12.990 -0.092 1.00 0.00 C ATOM 357 CG GLN A 27 17.040 12.805 0.153 1.00 0.00 C ATOM 358 CD GLN A 27 16.191 13.745 -0.680 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.987 13.523 -1.874 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.690 14.804 -0.053 1.00 0.00 N ATOM 0 H GLN A 27 21.014 13.183 0.103 1.00 0.00 H new ATOM 0 HA GLN A 27 19.222 12.001 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.824 13.984 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.721 12.947 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.764 11.775 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.826 12.968 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.884 14.949 0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.111 15.472 -0.562 1.00 0.00 H new ATOM 369 N SER A 28 18.142 9.889 0.873 1.00 0.00 N ATOM 370 CA SER A 28 17.705 8.542 0.524 1.00 0.00 C ATOM 371 C SER A 28 16.275 8.556 -0.008 1.00 0.00 C ATOM 372 O SER A 28 15.507 9.479 0.265 1.00 0.00 O ATOM 373 CB SER A 28 17.800 7.621 1.742 1.00 0.00 C ATOM 374 OG SER A 28 19.112 7.615 2.276 1.00 0.00 O ATOM 0 H SER A 28 17.715 10.265 1.719 1.00 0.00 H new ATOM 0 HA SER A 28 18.362 8.165 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.095 7.949 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.515 6.608 1.459 1.00 0.00 H new ATOM 0 HG SER A 28 19.146 7.020 3.054 1.00 0.00 H new ATOM 380 N LEU A 29 15.924 7.525 -0.769 1.00 0.00 N ATOM 381 CA LEU A 29 14.587 7.417 -1.341 1.00 0.00 C ATOM 382 C LEU A 29 13.524 7.810 -0.319 1.00 0.00 C ATOM 383 O LEU A 29 12.821 8.805 -0.492 1.00 0.00 O ATOM 384 CB LEU A 29 14.335 5.990 -1.832 1.00 0.00 C ATOM 385 CG LEU A 29 13.208 5.820 -2.852 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.554 6.529 -4.152 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.934 4.345 -3.103 1.00 0.00 C ATOM 0 H LEU A 29 16.547 6.752 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 29 14.524 8.102 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.257 5.611 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.113 5.364 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 29 12.304 6.272 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.741 6.397 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.699 7.592 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.470 6.107 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.129 4.243 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.835 3.868 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.641 3.865 -2.169 1.00 0.00 H new ATOM 399 N GLY A 30 13.415 7.023 0.747 1.00 0.00 N ATOM 400 CA GLY A 30 12.438 7.307 1.782 1.00 0.00 C ATOM 401 C GLY A 30 11.096 6.659 1.506 1.00 0.00 C ATOM 402 O GLY A 30 10.069 7.337 1.463 1.00 0.00 O ATOM 0 H GLY A 30 13.986 6.194 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.817 6.955 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.306 8.386 1.867 1.00 0.00 H new ATOM 406 N ILE A 31 11.104 5.344 1.316 1.00 0.00 N ATOM 407 CA ILE A 31 9.878 4.605 1.041 1.00 0.00 C ATOM 408 C ILE A 31 9.880 3.254 1.749 1.00 0.00 C ATOM 409 O ILE A 31 10.749 2.417 1.508 1.00 0.00 O ATOM 410 CB ILE A 31 9.683 4.380 -0.470 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.571 5.721 -1.197 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.447 3.529 -0.723 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.572 5.593 -2.704 1.00 0.00 C ATOM 0 H ILE A 31 11.946 4.769 1.347 1.00 0.00 H new ATOM 0 HA ILE A 31 9.054 5.210 1.419 1.00 0.00 H new ATOM 0 HB ILE A 31 10.552 3.849 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.654 6.220 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.401 6.360 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.322 3.378 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.564 2.563 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.569 4.035 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.490 6.583 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.500 5.123 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.726 4.981 -3.018 1.00 0.00 H new ATOM 425 N ARG A 32 8.900 3.049 2.623 1.00 0.00 N ATOM 426 CA ARG A 32 8.788 1.800 3.366 1.00 0.00 C ATOM 427 C ARG A 32 7.929 0.791 2.608 1.00 0.00 C ATOM 428 O ARG A 32 6.843 1.121 2.131 1.00 0.00 O ATOM 429 CB ARG A 32 8.189 2.056 4.750 1.00 0.00 C ATOM 430 CG ARG A 32 9.177 2.653 5.739 1.00 0.00 C ATOM 431 CD ARG A 32 10.022 1.576 6.402 1.00 0.00 C ATOM 432 NE ARG A 32 9.408 1.077 7.630 1.00 0.00 N ATOM 433 CZ ARG A 32 9.526 1.680 8.808 1.00 0.00 C ATOM 434 NH1 ARG A 32 10.231 2.798 8.916 1.00 0.00 N ATOM 435 NH2 ARG A 32 8.939 1.165 9.880 1.00 0.00 N ATOM 0 H ARG A 32 8.172 3.732 2.834 1.00 0.00 H new ATOM 0 HA ARG A 32 9.789 1.385 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.337 2.728 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.808 1.117 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.826 3.361 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.636 3.214 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.166 0.749 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.010 1.978 6.628 1.00 0.00 H new ATOM 0 HE ARG A 32 8.859 0.219 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.684 3.197 8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.320 3.259 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.396 0.305 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.030 1.629 10.784 1.00 0.00 H new ATOM 449 N ILE A 33 8.424 -0.437 2.500 1.00 0.00 N ATOM 450 CA ILE A 33 7.702 -1.493 1.801 1.00 0.00 C ATOM 451 C ILE A 33 7.234 -2.573 2.770 1.00 0.00 C ATOM 452 O ILE A 33 7.627 -2.589 3.936 1.00 0.00 O ATOM 453 CB ILE A 33 8.572 -2.141 0.708 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.800 -2.808 1.331 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.993 -1.101 -0.320 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.293 -4.010 0.557 1.00 0.00 C ATOM 0 H ILE A 33 9.322 -0.725 2.888 1.00 0.00 H new ATOM 0 HA ILE A 33 6.834 -1.027 1.334 1.00 0.00 H new ATOM 0 HB ILE A 33 7.983 -2.906 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.605 -2.076 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.559 -3.115 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.607 -1.574 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.107 -0.667 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.567 -0.315 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.165 -4.432 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.504 -4.761 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.566 -3.705 -0.453 1.00 0.00 H new ATOM 468 N VAL A 34 6.392 -3.477 2.278 1.00 0.00 N ATOM 469 CA VAL A 34 5.872 -4.564 3.099 1.00 0.00 C ATOM 470 C VAL A 34 5.464 -5.755 2.239 1.00 0.00 C ATOM 471 O VAL A 34 4.899 -5.589 1.159 1.00 0.00 O ATOM 472 CB VAL A 34 4.660 -4.107 3.932 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.406 -4.065 3.073 1.00 0.00 C ATOM 474 CG2 VAL A 34 4.464 -5.021 5.132 1.00 0.00 C ATOM 0 H VAL A 34 6.056 -3.478 1.315 1.00 0.00 H new ATOM 0 HA VAL A 34 6.674 -4.864 3.773 1.00 0.00 H new ATOM 0 HB VAL A 34 4.853 -3.099 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.560 -3.740 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.552 -3.366 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.205 -5.059 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.603 -4.684 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.293 -6.041 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.355 -4.994 5.759 1.00 0.00 H new ATOM 484 N GLY A 35 5.754 -6.957 2.727 1.00 0.00 N ATOM 485 CA GLY A 35 5.409 -8.159 1.991 1.00 0.00 C ATOM 486 C GLY A 35 4.050 -8.707 2.378 1.00 0.00 C ATOM 487 O GLY A 35 3.949 -9.599 3.220 1.00 0.00 O ATOM 0 H GLY A 35 6.222 -7.120 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.419 -7.942 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.168 -8.921 2.169 1.00 0.00 H new ATOM 491 N TYR A 36 3.001 -8.171 1.763 1.00 0.00 N ATOM 492 CA TYR A 36 1.640 -8.608 2.051 1.00 0.00 C ATOM 493 C TYR A 36 1.465 -10.089 1.729 1.00 0.00 C ATOM 494 O TYR A 36 1.845 -10.553 0.654 1.00 0.00 O ATOM 495 CB TYR A 36 0.636 -7.778 1.250 1.00 0.00 C ATOM 496 CG TYR A 36 0.050 -6.621 2.027 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.682 -5.384 2.051 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.135 -6.765 2.738 1.00 0.00 C ATOM 499 CE1 TYR A 36 0.151 -4.324 2.760 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.674 -5.710 3.448 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.027 -4.492 3.456 1.00 0.00 C ATOM 502 OH TYR A 36 -1.560 -3.439 4.164 1.00 0.00 O ATOM 0 H TYR A 36 3.067 -7.433 1.062 1.00 0.00 H new ATOM 0 HA TYR A 36 1.455 -8.462 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.127 -7.393 0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.173 -8.427 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.604 -5.249 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.643 -7.718 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.656 -3.369 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.597 -5.838 3.994 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.392 -3.723 4.597 1.00 0.00 H new ATOM 624 N SER A 46 -1.782 -10.300 -2.020 1.00 0.00 N ATOM 625 CA SER A 46 -0.374 -10.655 -1.883 1.00 0.00 C ATOM 626 C SER A 46 0.493 -9.804 -2.807 1.00 0.00 C ATOM 627 O SER A 46 0.188 -9.641 -3.987 1.00 0.00 O ATOM 628 CB SER A 46 -0.168 -12.138 -2.195 1.00 0.00 C ATOM 629 OG SER A 46 1.210 -12.444 -2.328 1.00 0.00 O ATOM 0 HA SER A 46 -0.074 -10.463 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.603 -12.744 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.692 -12.395 -3.116 1.00 0.00 H new ATOM 0 HG SER A 46 1.316 -13.398 -2.526 1.00 0.00 H new ATOM 635 N GLY A 47 1.577 -9.263 -2.259 1.00 0.00 N ATOM 636 CA GLY A 47 2.472 -8.436 -3.046 1.00 0.00 C ATOM 637 C GLY A 47 3.146 -7.360 -2.218 1.00 0.00 C ATOM 638 O GLY A 47 3.048 -7.360 -0.990 1.00 0.00 O ATOM 0 H GLY A 47 1.851 -9.383 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.233 -9.066 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.912 -7.969 -3.856 1.00 0.00 H new ATOM 642 N ILE A 48 3.834 -6.443 -2.889 1.00 0.00 N ATOM 643 CA ILE A 48 4.528 -5.358 -2.206 1.00 0.00 C ATOM 644 C ILE A 48 3.679 -4.091 -2.183 1.00 0.00 C ATOM 645 O ILE A 48 3.108 -3.696 -3.200 1.00 0.00 O ATOM 646 CB ILE A 48 5.879 -5.045 -2.875 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.771 -6.288 -2.881 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.571 -3.894 -2.160 1.00 0.00 C ATOM 649 CD1 ILE A 48 7.129 -6.781 -1.496 1.00 0.00 C ATOM 0 H ILE A 48 3.926 -6.429 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 48 4.707 -5.692 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 48 5.695 -4.748 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.264 -7.087 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.688 -6.065 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.525 -3.685 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.940 -3.007 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.745 -4.165 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.763 -7.664 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.664 -5.998 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.218 -7.036 -0.954 1.00 0.00 H new ATOM 661 N TYR A 49 3.602 -3.459 -1.018 1.00 0.00 N ATOM 662 CA TYR A 49 2.823 -2.236 -0.862 1.00 0.00 C ATOM 663 C TYR A 49 3.556 -1.231 0.021 1.00 0.00 C ATOM 664 O TYR A 49 4.287 -1.609 0.937 1.00 0.00 O ATOM 665 CB TYR A 49 1.452 -2.554 -0.262 1.00 0.00 C ATOM 666 CG TYR A 49 0.624 -3.495 -1.107 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.876 -4.861 -1.110 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.410 -3.018 -1.903 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.122 -5.725 -1.882 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.169 -3.874 -2.677 1.00 0.00 C ATOM 671 CZ TYR A 49 -0.899 -5.227 -2.663 1.00 0.00 C ATOM 672 OH TYR A 49 -1.653 -6.083 -3.433 1.00 0.00 O ATOM 0 H TYR A 49 4.069 -3.773 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 49 2.688 -1.793 -1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.590 -2.993 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.901 -1.624 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.675 -5.255 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.624 -1.960 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.332 -6.784 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.969 -3.486 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.331 -5.572 -3.922 1.00 0.00 H new ATOM 682 N VAL A 50 3.355 0.052 -0.262 1.00 0.00 N ATOM 683 CA VAL A 50 3.995 1.113 0.506 1.00 0.00 C ATOM 684 C VAL A 50 3.441 1.176 1.925 1.00 0.00 C ATOM 685 O VAL A 50 2.330 1.656 2.149 1.00 0.00 O ATOM 686 CB VAL A 50 3.807 2.485 -0.168 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.437 3.585 0.674 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.393 2.475 -1.571 1.00 0.00 C ATOM 0 H VAL A 50 2.754 0.382 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 50 5.059 0.878 0.545 1.00 0.00 H new ATOM 0 HB VAL A 50 2.739 2.687 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.294 4.547 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.965 3.606 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.503 3.391 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.251 3.453 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.458 2.250 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.891 1.715 -2.170 1.00 0.00 H new ATOM 698 N LYS A 51 4.223 0.687 2.882 1.00 0.00 N ATOM 699 CA LYS A 51 3.813 0.688 4.281 1.00 0.00 C ATOM 700 C LYS A 51 3.747 2.110 4.827 1.00 0.00 C ATOM 701 O LYS A 51 2.792 2.479 5.510 1.00 0.00 O ATOM 702 CB LYS A 51 4.784 -0.147 5.119 1.00 0.00 C ATOM 703 CG LYS A 51 4.450 -0.165 6.600 1.00 0.00 C ATOM 704 CD LYS A 51 3.361 -1.177 6.914 1.00 0.00 C ATOM 705 CE LYS A 51 3.250 -1.430 8.409 1.00 0.00 C ATOM 706 NZ LYS A 51 2.751 -0.232 9.140 1.00 0.00 N ATOM 0 H LYS A 51 5.145 0.285 2.714 1.00 0.00 H new ATOM 0 HA LYS A 51 2.818 0.247 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.787 -1.170 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.793 0.244 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.346 -0.404 7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.127 0.828 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.406 -0.815 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.575 -2.114 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.578 -2.269 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.226 -1.715 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.690 -0.446 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.406 0.562 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.809 0.025 8.783 1.00 0.00 H new ATOM 720 N SER A 52 4.768 2.905 4.522 1.00 0.00 N ATOM 721 CA SER A 52 4.827 4.287 4.985 1.00 0.00 C ATOM 722 C SER A 52 5.758 5.115 4.106 1.00 0.00 C ATOM 723 O SER A 52 6.485 4.576 3.271 1.00 0.00 O ATOM 724 CB SER A 52 5.298 4.340 6.439 1.00 0.00 C ATOM 725 OG SER A 52 4.273 3.921 7.323 1.00 0.00 O ATOM 0 H SER A 52 5.566 2.616 3.956 1.00 0.00 H new ATOM 0 HA SER A 52 3.824 4.709 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.173 3.703 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.605 5.356 6.688 1.00 0.00 H new ATOM 0 HG SER A 52 3.560 3.484 6.813 1.00 0.00 H new ATOM 731 N VAL A 53 5.730 6.430 4.299 1.00 0.00 N ATOM 732 CA VAL A 53 6.572 7.335 3.526 1.00 0.00 C ATOM 733 C VAL A 53 7.404 8.228 4.439 1.00 0.00 C ATOM 734 O VAL A 53 6.883 9.160 5.053 1.00 0.00 O ATOM 735 CB VAL A 53 5.731 8.220 2.587 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.622 9.193 1.829 1.00 0.00 C ATOM 737 CG2 VAL A 53 4.926 7.360 1.624 1.00 0.00 C ATOM 0 H VAL A 53 5.133 6.892 4.985 1.00 0.00 H new ATOM 0 HA VAL A 53 7.238 6.713 2.927 1.00 0.00 H new ATOM 0 HB VAL A 53 5.033 8.800 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.010 9.810 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.149 9.831 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.346 8.636 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.338 8.002 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.604 6.753 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.259 6.709 2.189 1.00 0.00 H new ATOM 747 N ILE A 54 8.697 7.938 4.524 1.00 0.00 N ATOM 748 CA ILE A 54 9.601 8.717 5.361 1.00 0.00 C ATOM 749 C ILE A 54 9.511 10.203 5.034 1.00 0.00 C ATOM 750 O ILE A 54 9.604 10.616 3.878 1.00 0.00 O ATOM 751 CB ILE A 54 11.061 8.254 5.196 1.00 0.00 C ATOM 752 CG1 ILE A 54 11.247 6.859 5.795 1.00 0.00 C ATOM 753 CG2 ILE A 54 12.009 9.248 5.851 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.952 5.739 4.822 1.00 0.00 C ATOM 0 H ILE A 54 9.143 7.169 4.024 1.00 0.00 H new ATOM 0 HA ILE A 54 9.292 8.556 6.394 1.00 0.00 H new ATOM 0 HB ILE A 54 11.294 8.206 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.272 6.759 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.596 6.756 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.037 8.907 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.891 10.225 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.779 9.324 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.105 4.779 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.918 5.813 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.620 5.817 3.964 1.00 0.00 H new ATOM 766 N PRO A 55 9.327 11.029 6.075 1.00 0.00 N ATOM 767 CA PRO A 55 9.222 12.483 5.923 1.00 0.00 C ATOM 768 C PRO A 55 10.549 13.121 5.526 1.00 0.00 C ATOM 769 O PRO A 55 11.618 12.578 5.801 1.00 0.00 O ATOM 770 CB PRO A 55 8.798 12.955 7.316 1.00 0.00 C ATOM 771 CG PRO A 55 9.295 11.899 8.242 1.00 0.00 C ATOM 772 CD PRO A 55 9.207 10.606 7.480 1.00 0.00 C ATOM 0 HA PRO A 55 8.525 12.761 5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.232 13.926 7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.716 13.064 7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.321 12.101 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.692 11.859 9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.004 9.918 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.263 10.093 7.666 1.00 0.00 H new ATOM 780 N GLY A 56 10.473 14.279 4.877 1.00 0.00 N ATOM 781 CA GLY A 56 11.675 14.973 4.453 1.00 0.00 C ATOM 782 C GLY A 56 12.532 14.133 3.526 1.00 0.00 C ATOM 783 O GLY A 56 13.735 14.362 3.404 1.00 0.00 O ATOM 0 H GLY A 56 9.600 14.749 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.398 15.898 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.259 15.251 5.330 1.00 0.00 H new ATOM 787 N SER A 57 11.911 13.157 2.871 1.00 0.00 N ATOM 788 CA SER A 57 12.626 12.276 1.955 1.00 0.00 C ATOM 789 C SER A 57 12.211 12.543 0.511 1.00 0.00 C ATOM 790 O SER A 57 11.237 13.250 0.254 1.00 0.00 O ATOM 791 CB SER A 57 12.362 10.812 2.311 1.00 0.00 C ATOM 792 OG SER A 57 11.196 10.332 1.664 1.00 0.00 O ATOM 0 H SER A 57 10.915 12.957 2.958 1.00 0.00 H new ATOM 0 HA SER A 57 13.692 12.479 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.219 10.204 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.250 10.711 3.391 1.00 0.00 H new ATOM 0 HG SER A 57 10.446 10.339 2.294 1.00 0.00 H new ATOM 798 N ALA A 58 12.959 11.972 -0.428 1.00 0.00 N ATOM 799 CA ALA A 58 12.669 12.146 -1.846 1.00 0.00 C ATOM 800 C ALA A 58 11.192 11.903 -2.138 1.00 0.00 C ATOM 801 O ALA A 58 10.537 12.716 -2.788 1.00 0.00 O ATOM 802 CB ALA A 58 13.535 11.213 -2.680 1.00 0.00 C ATOM 0 H ALA A 58 13.770 11.385 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 58 12.901 13.176 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.308 11.353 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.587 11.437 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.331 10.180 -2.399 1.00 0.00 H new ATOM 808 N ALA A 59 10.675 10.778 -1.654 1.00 0.00 N ATOM 809 CA ALA A 59 9.276 10.429 -1.863 1.00 0.00 C ATOM 810 C ALA A 59 8.353 11.526 -1.341 1.00 0.00 C ATOM 811 O ALA A 59 7.546 12.079 -2.089 1.00 0.00 O ATOM 812 CB ALA A 59 8.956 9.103 -1.189 1.00 0.00 C ATOM 0 H ALA A 59 11.205 10.093 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 59 9.109 10.328 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.907 8.855 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.585 8.319 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.146 9.184 -0.119 1.00 0.00 H new ATOM 818 N TYR A 60 8.477 11.834 -0.055 1.00 0.00 N ATOM 819 CA TYR A 60 7.651 12.863 0.567 1.00 0.00 C ATOM 820 C TYR A 60 7.618 14.126 -0.289 1.00 0.00 C ATOM 821 O TYR A 60 6.554 14.568 -0.722 1.00 0.00 O ATOM 822 CB TYR A 60 8.178 13.193 1.964 1.00 0.00 C ATOM 823 CG TYR A 60 7.355 14.232 2.692 1.00 0.00 C ATOM 824 CD1 TYR A 60 6.180 13.883 3.345 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.754 15.563 2.727 1.00 0.00 C ATOM 826 CE1 TYR A 60 5.424 14.829 4.010 1.00 0.00 C ATOM 827 CE2 TYR A 60 7.005 16.516 3.391 1.00 0.00 C ATOM 828 CZ TYR A 60 5.841 16.144 4.030 1.00 0.00 C ATOM 829 OH TYR A 60 5.092 17.089 4.693 1.00 0.00 O ATOM 0 H TYR A 60 9.141 11.387 0.577 1.00 0.00 H new ATOM 0 HA TYR A 60 6.635 12.477 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.203 12.280 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.205 13.548 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.852 12.854 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.665 15.857 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.512 14.541 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.329 17.546 3.409 1.00 0.00 H new ATOM 0 HH TYR A 60 5.524 17.965 4.612 1.00 0.00 H new ATOM 839 N HIS A 61 8.792 14.701 -0.528 1.00 0.00 N ATOM 840 CA HIS A 61 8.899 15.913 -1.333 1.00 0.00 C ATOM 841 C HIS A 61 8.040 15.808 -2.590 1.00 0.00 C ATOM 842 O HIS A 61 7.137 16.615 -2.804 1.00 0.00 O ATOM 843 CB HIS A 61 10.357 16.169 -1.717 1.00 0.00 C ATOM 844 CG HIS A 61 11.177 16.745 -0.604 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.708 17.722 0.248 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.442 16.475 -0.205 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.650 18.030 1.123 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.712 17.286 0.869 1.00 0.00 N ATOM 0 H HIS A 61 9.682 14.348 -0.176 1.00 0.00 H new ATOM 0 HA HIS A 61 8.537 16.750 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.808 15.232 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.386 16.849 -2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.114 15.755 -0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.566 18.764 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.590 17.310 1.387 1.00 0.00 H new ATOM 857 N ASN A 62 8.331 14.810 -3.417 1.00 0.00 N ATOM 858 CA ASN A 62 7.586 14.601 -4.653 1.00 0.00 C ATOM 859 C ASN A 62 6.084 14.581 -4.387 1.00 0.00 C ATOM 860 O ASN A 62 5.300 15.148 -5.148 1.00 0.00 O ATOM 861 CB ASN A 62 8.015 13.290 -5.316 1.00 0.00 C ATOM 862 CG ASN A 62 7.890 13.338 -6.826 1.00 0.00 C ATOM 863 OD1 ASN A 62 8.243 14.334 -7.458 1.00 0.00 O ATOM 864 ND2 ASN A 62 7.386 12.258 -7.413 1.00 0.00 N ATOM 0 H ASN A 62 9.077 14.134 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 62 7.807 15.430 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.048 13.071 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.405 12.474 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.279 12.232 -8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.107 11.455 -6.850 1.00 0.00 H new ATOM 871 N GLY A 63 5.689 13.925 -3.300 1.00 0.00 N ATOM 872 CA GLY A 63 4.283 13.844 -2.951 1.00 0.00 C ATOM 873 C GLY A 63 3.464 13.131 -4.009 1.00 0.00 C ATOM 874 O GLY A 63 2.313 13.491 -4.261 1.00 0.00 O ATOM 0 H GLY A 63 6.318 13.448 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.177 13.321 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.889 14.850 -2.807 1.00 0.00 H new ATOM 878 N HIS A 64 4.057 12.117 -4.631 1.00 0.00 N ATOM 879 CA HIS A 64 3.375 11.352 -5.668 1.00 0.00 C ATOM 880 C HIS A 64 3.161 9.907 -5.226 1.00 0.00 C ATOM 881 O HIS A 64 2.133 9.301 -5.529 1.00 0.00 O ATOM 882 CB HIS A 64 4.178 11.386 -6.968 1.00 0.00 C ATOM 883 CG HIS A 64 3.841 12.548 -7.851 1.00 0.00 C ATOM 884 ND1 HIS A 64 2.841 12.507 -8.800 1.00 0.00 N ATOM 885 CD2 HIS A 64 4.376 13.789 -7.923 1.00 0.00 C ATOM 886 CE1 HIS A 64 2.777 13.672 -9.419 1.00 0.00 C ATOM 887 NE2 HIS A 64 3.697 14.468 -8.905 1.00 0.00 N ATOM 0 H HIS A 64 5.008 11.806 -4.435 1.00 0.00 H new ATOM 0 HA HIS A 64 2.400 11.809 -5.840 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.241 11.419 -6.728 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.004 10.461 -7.517 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.186 14.174 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.089 13.930 -10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.874 15.431 -9.191 1.00 0.00 H new ATOM 896 N ILE A 65 4.138 9.362 -4.509 1.00 0.00 N ATOM 897 CA ILE A 65 4.056 7.990 -4.025 1.00 0.00 C ATOM 898 C ILE A 65 3.566 7.943 -2.582 1.00 0.00 C ATOM 899 O ILE A 65 4.322 8.219 -1.651 1.00 0.00 O ATOM 900 CB ILE A 65 5.420 7.279 -4.115 1.00 0.00 C ATOM 901 CG1 ILE A 65 5.903 7.238 -5.566 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.322 5.872 -3.544 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.410 7.231 -5.701 1.00 0.00 C ATOM 0 H ILE A 65 4.996 9.850 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 65 3.342 7.472 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 65 6.146 7.840 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.499 6.349 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.503 8.101 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.293 5.382 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.017 5.924 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.586 5.301 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.681 7.201 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.820 8.133 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.816 6.354 -5.197 1.00 0.00 H new ATOM 915 N GLN A 66 2.296 7.591 -2.405 1.00 0.00 N ATOM 916 CA GLN A 66 1.706 7.508 -1.075 1.00 0.00 C ATOM 917 C GLN A 66 1.546 6.055 -0.640 1.00 0.00 C ATOM 918 O GLN A 66 1.987 5.137 -1.333 1.00 0.00 O ATOM 919 CB GLN A 66 0.348 8.211 -1.052 1.00 0.00 C ATOM 920 CG GLN A 66 0.372 9.601 -1.668 1.00 0.00 C ATOM 921 CD GLN A 66 1.646 10.358 -1.350 1.00 0.00 C ATOM 922 OE1 GLN A 66 1.923 10.673 -0.192 1.00 0.00 O ATOM 923 NE2 GLN A 66 2.431 10.655 -2.379 1.00 0.00 N ATOM 0 H GLN A 66 1.657 7.359 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 66 2.378 8.006 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.378 7.598 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.004 8.286 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.264 9.517 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.484 10.170 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.163 10.375 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.302 11.163 -2.226 1.00 0.00 H new ATOM 932 N VAL A 67 0.913 5.853 0.511 1.00 0.00 N ATOM 933 CA VAL A 67 0.695 4.511 1.038 1.00 0.00 C ATOM 934 C VAL A 67 -0.525 3.860 0.396 1.00 0.00 C ATOM 935 O VAL A 67 -1.278 4.509 -0.329 1.00 0.00 O ATOM 936 CB VAL A 67 0.508 4.532 2.567 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.760 5.057 3.251 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.706 5.368 2.943 1.00 0.00 C ATOM 0 H VAL A 67 0.542 6.601 1.096 1.00 0.00 H new ATOM 0 HA VAL A 67 1.583 3.928 0.796 1.00 0.00 H new ATOM 0 HB VAL A 67 0.338 3.511 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.609 5.064 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.605 4.413 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.965 6.071 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.823 5.372 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.568 6.390 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.598 4.942 2.483 1.00 0.00 H new ATOM 948 N ASN A 68 -0.715 2.573 0.669 1.00 0.00 N ATOM 949 CA ASN A 68 -1.844 1.834 0.117 1.00 0.00 C ATOM 950 C ASN A 68 -1.714 1.690 -1.396 1.00 0.00 C ATOM 951 O ASN A 68 -2.708 1.731 -2.121 1.00 0.00 O ATOM 952 CB ASN A 68 -3.159 2.537 0.463 1.00 0.00 C ATOM 953 CG ASN A 68 -3.167 3.083 1.878 1.00 0.00 C ATOM 954 OD1 ASN A 68 -2.501 2.550 2.765 1.00 0.00 O ATOM 955 ND2 ASN A 68 -3.925 4.152 2.095 1.00 0.00 N ATOM 0 H ASN A 68 -0.102 2.021 1.269 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.845 0.838 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.327 3.353 -0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.985 1.837 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.971 4.564 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.461 4.561 1.330 1.00 0.00 H new ATOM 962 N ASP A 69 -0.483 1.522 -1.865 1.00 0.00 N ATOM 963 CA ASP A 69 -0.222 1.371 -3.292 1.00 0.00 C ATOM 964 C ASP A 69 0.470 0.042 -3.580 1.00 0.00 C ATOM 965 O ASP A 69 0.962 -0.624 -2.669 1.00 0.00 O ATOM 966 CB ASP A 69 0.638 2.529 -3.800 1.00 0.00 C ATOM 967 CG ASP A 69 -0.189 3.746 -4.166 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.976 3.660 -5.131 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.047 4.785 -3.488 1.00 0.00 O ATOM 0 H ASP A 69 0.350 1.487 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.178 1.383 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.363 2.803 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.204 2.202 -4.672 1.00 0.00 H new ATOM 974 N LYS A 70 0.503 -0.338 -4.852 1.00 0.00 N ATOM 975 CA LYS A 70 1.135 -1.587 -5.262 1.00 0.00 C ATOM 976 C LYS A 70 2.254 -1.327 -6.265 1.00 0.00 C ATOM 977 O LYS A 70 2.027 -0.742 -7.324 1.00 0.00 O ATOM 978 CB LYS A 70 0.097 -2.531 -5.874 1.00 0.00 C ATOM 979 CG LYS A 70 0.417 -4.001 -5.670 1.00 0.00 C ATOM 980 CD LYS A 70 -0.138 -4.854 -6.799 1.00 0.00 C ATOM 981 CE LYS A 70 0.844 -4.955 -7.956 1.00 0.00 C ATOM 982 NZ LYS A 70 0.232 -5.605 -9.148 1.00 0.00 N ATOM 0 H LYS A 70 0.099 0.201 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 70 1.566 -2.055 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.879 -2.316 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.020 -2.329 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.497 -4.134 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.000 -4.337 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.365 -5.852 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.076 -4.426 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.192 -3.958 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.719 -5.524 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.964 -6.121 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.506 -6.270 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.190 -4.879 -9.761 1.00 0.00 H new ATOM 996 N ILE A 71 3.461 -1.766 -5.925 1.00 0.00 N ATOM 997 CA ILE A 71 4.614 -1.583 -6.797 1.00 0.00 C ATOM 998 C ILE A 71 4.876 -2.832 -7.632 1.00 0.00 C ATOM 999 O ILE A 71 5.039 -3.928 -7.096 1.00 0.00 O ATOM 1000 CB ILE A 71 5.882 -1.244 -5.990 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.607 -0.084 -5.031 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.030 -0.902 -6.928 1.00 0.00 C ATOM 1003 CD1 ILE A 71 6.536 -0.054 -3.837 1.00 0.00 C ATOM 0 H ILE A 71 3.666 -2.251 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 71 4.380 -0.749 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 71 6.166 -2.117 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.697 0.856 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.578 -0.151 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.919 -0.665 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.238 -1.754 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.757 -0.041 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.283 0.794 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.429 -0.978 -3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.566 0.044 -4.180 1.00 0.00 H new ATOM 1015 N VAL A 72 4.917 -2.658 -8.949 1.00 0.00 N ATOM 1016 CA VAL A 72 5.162 -3.770 -9.860 1.00 0.00 C ATOM 1017 C VAL A 72 6.593 -3.746 -10.385 1.00 0.00 C ATOM 1018 O VAL A 72 7.123 -4.768 -10.818 1.00 0.00 O ATOM 1019 CB VAL A 72 4.188 -3.744 -11.053 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.802 -4.196 -10.622 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.137 -2.353 -11.667 1.00 0.00 C ATOM 0 H VAL A 72 4.784 -1.757 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 72 5.003 -4.686 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 72 4.550 -4.439 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.128 -4.171 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.856 -5.213 -10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.427 -3.529 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.444 -2.352 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.799 -1.637 -10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.131 -2.072 -12.015 1.00 0.00 H new ATOM 1031 N ALA A 73 7.213 -2.571 -10.341 1.00 0.00 N ATOM 1032 CA ALA A 73 8.584 -2.414 -10.810 1.00 0.00 C ATOM 1033 C ALA A 73 9.247 -1.199 -10.170 1.00 0.00 C ATOM 1034 O ALA A 73 8.595 -0.185 -9.917 1.00 0.00 O ATOM 1035 CB ALA A 73 8.613 -2.296 -12.327 1.00 0.00 C ATOM 0 H ALA A 73 6.788 -1.715 -9.986 1.00 0.00 H new ATOM 0 HA ALA A 73 9.147 -3.300 -10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.643 -2.179 -12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.186 -3.196 -12.770 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.030 -1.428 -12.636 1.00 0.00 H new ATOM 1041 N VAL A 74 10.546 -1.307 -9.911 1.00 0.00 N ATOM 1042 CA VAL A 74 11.297 -0.216 -9.301 1.00 0.00 C ATOM 1043 C VAL A 74 12.541 0.119 -10.117 1.00 0.00 C ATOM 1044 O VAL A 74 13.397 -0.737 -10.343 1.00 0.00 O ATOM 1045 CB VAL A 74 11.720 -0.562 -7.861 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.467 0.602 -7.229 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.506 -0.942 -7.027 1.00 0.00 C ATOM 0 H VAL A 74 11.100 -2.139 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 74 10.635 0.650 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 74 12.393 -1.419 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.758 0.339 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.359 0.823 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.821 1.479 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.823 -1.184 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.807 -0.106 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.017 -1.809 -7.471 1.00 0.00 H new ATOM 1057 N ASP A 75 12.634 1.369 -10.557 1.00 0.00 N ATOM 1058 CA ASP A 75 13.774 1.818 -11.347 1.00 0.00 C ATOM 1059 C ASP A 75 13.957 0.943 -12.583 1.00 0.00 C ATOM 1060 O ASP A 75 15.081 0.636 -12.978 1.00 0.00 O ATOM 1061 CB ASP A 75 15.048 1.799 -10.501 1.00 0.00 C ATOM 1062 CG ASP A 75 16.067 2.821 -10.965 1.00 0.00 C ATOM 1063 OD1 ASP A 75 15.900 4.015 -10.641 1.00 0.00 O ATOM 1064 OD2 ASP A 75 17.032 2.426 -11.654 1.00 0.00 O ATOM 0 H ASP A 75 11.934 2.089 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 75 13.579 2.840 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.792 1.993 -9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.492 0.804 -10.540 1.00 0.00 H new ATOM 1069 N GLY A 76 12.843 0.545 -13.190 1.00 0.00 N ATOM 1070 CA GLY A 76 12.902 -0.292 -14.375 1.00 0.00 C ATOM 1071 C GLY A 76 13.252 -1.731 -14.051 1.00 0.00 C ATOM 1072 O GLY A 76 13.768 -2.458 -14.900 1.00 0.00 O ATOM 0 H GLY A 76 11.901 0.787 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.940 -0.261 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.642 0.112 -15.065 1.00 0.00 H new ATOM 1076 N VAL A 77 12.971 -2.144 -12.819 1.00 0.00 N ATOM 1077 CA VAL A 77 13.260 -3.505 -12.385 1.00 0.00 C ATOM 1078 C VAL A 77 11.982 -4.242 -11.999 1.00 0.00 C ATOM 1079 O VAL A 77 11.371 -3.950 -10.972 1.00 0.00 O ATOM 1080 CB VAL A 77 14.228 -3.519 -11.187 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.465 -4.943 -10.708 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.542 -2.847 -11.556 1.00 0.00 C ATOM 0 H VAL A 77 12.544 -1.555 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 77 13.729 -4.013 -13.228 1.00 0.00 H new ATOM 0 HB VAL A 77 13.775 -2.957 -10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.151 -4.933 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.517 -5.386 -10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.896 -5.532 -11.517 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.214 -2.866 -10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 77 16.002 -3.379 -12.389 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.353 -1.813 -11.846 1.00 0.00 H new ATOM 1092 N ASN A 78 11.584 -5.199 -12.831 1.00 0.00 N ATOM 1093 CA ASN A 78 10.377 -5.979 -12.577 1.00 0.00 C ATOM 1094 C ASN A 78 10.490 -6.744 -11.262 1.00 0.00 C ATOM 1095 O ASN A 78 11.052 -7.838 -11.215 1.00 0.00 O ATOM 1096 CB ASN A 78 10.124 -6.955 -13.728 1.00 0.00 C ATOM 1097 CG ASN A 78 8.782 -7.651 -13.612 1.00 0.00 C ATOM 1098 OD1 ASN A 78 7.742 -7.073 -13.927 1.00 0.00 O ATOM 1099 ND2 ASN A 78 8.800 -8.898 -13.157 1.00 0.00 N ATOM 0 H ASN A 78 12.079 -5.453 -13.686 1.00 0.00 H new ATOM 0 HA ASN A 78 9.537 -5.288 -12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.170 -6.416 -14.674 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.917 -7.702 -13.748 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.928 -9.417 -13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.686 -9.337 -12.908 1.00 0.00 H new ATOM 1106 N ILE A 79 9.952 -6.160 -10.197 1.00 0.00 N ATOM 1107 CA ILE A 79 9.991 -6.787 -8.881 1.00 0.00 C ATOM 1108 C ILE A 79 8.702 -7.552 -8.599 1.00 0.00 C ATOM 1109 O ILE A 79 8.396 -7.867 -7.449 1.00 0.00 O ATOM 1110 CB ILE A 79 10.212 -5.747 -7.768 1.00 0.00 C ATOM 1111 CG1 ILE A 79 9.037 -4.768 -7.714 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.520 -5.002 -7.991 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.776 -4.214 -6.330 1.00 0.00 C ATOM 0 H ILE A 79 9.484 -5.254 -10.219 1.00 0.00 H new ATOM 0 HA ILE A 79 10.830 -7.483 -8.887 1.00 0.00 H new ATOM 0 HB ILE A 79 10.271 -6.267 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.232 -3.941 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.138 -5.271 -8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.662 -4.270 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.348 -5.711 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.488 -4.491 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.930 -3.528 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.550 -5.033 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.660 -3.682 -5.978 1.00 0.00 H new ATOM 1125 N GLN A 80 7.952 -7.848 -9.655 1.00 0.00 N ATOM 1126 CA GLN A 80 6.697 -8.577 -9.520 1.00 0.00 C ATOM 1127 C GLN A 80 6.934 -9.968 -8.943 1.00 0.00 C ATOM 1128 O GLN A 80 6.895 -10.965 -9.664 1.00 0.00 O ATOM 1129 CB GLN A 80 5.998 -8.686 -10.877 1.00 0.00 C ATOM 1130 CG GLN A 80 5.583 -7.344 -11.458 1.00 0.00 C ATOM 1131 CD GLN A 80 4.662 -7.485 -12.654 1.00 0.00 C ATOM 1132 OE1 GLN A 80 5.088 -7.344 -13.800 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.391 -7.766 -12.392 1.00 0.00 N ATOM 0 H GLN A 80 8.192 -7.594 -10.613 1.00 0.00 H new ATOM 0 HA GLN A 80 6.057 -8.024 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.664 -9.186 -11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.114 -9.316 -10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.084 -6.757 -10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.474 -6.789 -11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.081 -7.874 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.724 -7.873 -13.157 1.00 0.00 H new ATOM 1142 N GLY A 81 7.181 -10.029 -7.638 1.00 0.00 N ATOM 1143 CA GLY A 81 7.422 -11.303 -6.987 1.00 0.00 C ATOM 1144 C GLY A 81 8.755 -11.342 -6.266 1.00 0.00 C ATOM 1145 O GLY A 81 9.281 -12.417 -5.976 1.00 0.00 O ATOM 0 H GLY A 81 7.218 -9.218 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.621 -11.501 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.391 -12.099 -7.731 1.00 0.00 H new ATOM 1149 N PHE A 82 9.304 -10.167 -5.975 1.00 0.00 N ATOM 1150 CA PHE A 82 10.585 -10.071 -5.285 1.00 0.00 C ATOM 1151 C PHE A 82 10.401 -10.203 -3.776 1.00 0.00 C ATOM 1152 O PHE A 82 9.313 -9.974 -3.250 1.00 0.00 O ATOM 1153 CB PHE A 82 11.267 -8.741 -5.613 1.00 0.00 C ATOM 1154 CG PHE A 82 12.137 -8.799 -6.836 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.751 -9.537 -7.943 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.342 -8.116 -6.877 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.549 -9.592 -9.070 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.144 -8.167 -8.002 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.748 -8.907 -9.099 1.00 0.00 C ATOM 0 H PHE A 82 8.881 -9.268 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 82 11.217 -10.890 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.504 -7.976 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.872 -8.432 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.815 -10.076 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.658 -7.538 -6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.235 -10.170 -9.927 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.080 -7.628 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.375 -8.950 -9.978 1.00 0.00 H new ATOM 1169 N ALA A 83 11.474 -10.575 -3.086 1.00 0.00 N ATOM 1170 CA ALA A 83 11.433 -10.736 -1.638 1.00 0.00 C ATOM 1171 C ALA A 83 11.577 -9.393 -0.931 1.00 0.00 C ATOM 1172 O ALA A 83 12.336 -8.529 -1.368 1.00 0.00 O ATOM 1173 CB ALA A 83 12.524 -11.694 -1.182 1.00 0.00 C ATOM 0 H ALA A 83 12.382 -10.771 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 83 10.462 -11.154 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.481 -11.805 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.375 -12.666 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.499 -11.298 -1.468 1.00 0.00 H new ATOM 1179 N ASN A 84 10.841 -9.223 0.162 1.00 0.00 N ATOM 1180 CA ASN A 84 10.886 -7.983 0.929 1.00 0.00 C ATOM 1181 C ASN A 84 12.288 -7.382 0.910 1.00 0.00 C ATOM 1182 O ASN A 84 12.481 -6.242 0.486 1.00 0.00 O ATOM 1183 CB ASN A 84 10.446 -8.235 2.372 1.00 0.00 C ATOM 1184 CG ASN A 84 10.595 -7.004 3.245 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.653 -6.768 3.830 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.533 -6.212 3.337 1.00 0.00 N ATOM 0 H ASN A 84 10.206 -9.928 0.537 1.00 0.00 H new ATOM 0 HA ASN A 84 10.200 -7.274 0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.405 -8.559 2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.037 -9.049 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.574 -5.369 3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.677 -6.447 2.835 1.00 0.00 H new ATOM 1193 N HIS A 85 13.264 -8.157 1.371 1.00 0.00 N ATOM 1194 CA HIS A 85 14.649 -7.702 1.406 1.00 0.00 C ATOM 1195 C HIS A 85 15.185 -7.481 -0.005 1.00 0.00 C ATOM 1196 O HIS A 85 15.964 -6.559 -0.247 1.00 0.00 O ATOM 1197 CB HIS A 85 15.524 -8.717 2.143 1.00 0.00 C ATOM 1198 CG HIS A 85 15.298 -10.131 1.704 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.387 -10.971 2.309 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.871 -10.852 0.712 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.410 -12.148 1.709 1.00 0.00 C ATOM 1202 NE2 HIS A 85 15.302 -12.102 0.735 1.00 0.00 N ATOM 0 H HIS A 85 13.122 -9.103 1.725 1.00 0.00 H new ATOM 0 HA HIS A 85 14.679 -6.752 1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.572 -8.460 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.331 -8.642 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.634 -10.508 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.803 -13.002 1.970 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.531 -12.870 0.103 1.00 0.00 H new ATOM 1211 N ASP A 86 14.762 -8.334 -0.933 1.00 0.00 N ATOM 1212 CA ASP A 86 15.199 -8.232 -2.320 1.00 0.00 C ATOM 1213 C ASP A 86 14.791 -6.890 -2.921 1.00 0.00 C ATOM 1214 O ASP A 86 15.466 -6.363 -3.806 1.00 0.00 O ATOM 1215 CB ASP A 86 14.610 -9.376 -3.148 1.00 0.00 C ATOM 1216 CG ASP A 86 15.491 -10.610 -3.138 1.00 0.00 C ATOM 1217 OD1 ASP A 86 16.281 -10.768 -2.184 1.00 0.00 O ATOM 1218 OD2 ASP A 86 15.389 -11.418 -4.084 1.00 0.00 O ATOM 0 H ASP A 86 14.117 -9.103 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 86 16.287 -8.303 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.625 -9.633 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.469 -9.042 -4.176 1.00 0.00 H new ATOM 1223 N VAL A 87 13.681 -6.343 -2.436 1.00 0.00 N ATOM 1224 CA VAL A 87 13.182 -5.063 -2.925 1.00 0.00 C ATOM 1225 C VAL A 87 13.939 -3.901 -2.292 1.00 0.00 C ATOM 1226 O VAL A 87 14.111 -2.849 -2.908 1.00 0.00 O ATOM 1227 CB VAL A 87 11.678 -4.900 -2.637 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.201 -3.517 -3.055 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.880 -5.984 -3.346 1.00 0.00 C ATOM 0 H VAL A 87 13.110 -6.766 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 87 13.341 -5.052 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 87 11.518 -5.005 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.136 -3.420 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.752 -2.759 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.373 -3.380 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.819 -5.854 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.044 -5.912 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.204 -6.963 -2.994 1.00 0.00 H new ATOM 1239 N VAL A 88 14.389 -4.098 -1.057 1.00 0.00 N ATOM 1240 CA VAL A 88 15.129 -3.066 -0.340 1.00 0.00 C ATOM 1241 C VAL A 88 16.426 -2.717 -1.063 1.00 0.00 C ATOM 1242 O VAL A 88 16.701 -1.549 -1.334 1.00 0.00 O ATOM 1243 CB VAL A 88 15.459 -3.509 1.098 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.287 -2.448 1.807 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.182 -3.804 1.870 1.00 0.00 C ATOM 0 H VAL A 88 14.254 -4.962 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 88 14.489 -2.185 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 88 16.049 -4.425 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.510 -2.779 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.218 -2.290 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.726 -1.514 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.433 -4.116 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.565 -2.906 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.631 -4.602 1.371 1.00 0.00 H new ATOM 1255 N GLU A 89 17.218 -3.739 -1.371 1.00 0.00 N ATOM 1256 CA GLU A 89 18.487 -3.540 -2.062 1.00 0.00 C ATOM 1257 C GLU A 89 18.273 -2.836 -3.399 1.00 0.00 C ATOM 1258 O GLU A 89 19.045 -1.957 -3.781 1.00 0.00 O ATOM 1259 CB GLU A 89 19.187 -4.882 -2.286 1.00 0.00 C ATOM 1260 CG GLU A 89 18.549 -5.727 -3.375 1.00 0.00 C ATOM 1261 CD GLU A 89 19.234 -7.069 -3.549 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.479 -7.116 -3.461 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.525 -8.072 -3.773 1.00 0.00 O ATOM 0 H GLU A 89 17.004 -4.712 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 89 19.118 -2.910 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.230 -4.699 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.183 -5.444 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.498 -5.888 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.581 -5.182 -4.318 1.00 0.00 H new ATOM 1270 N VAL A 90 17.219 -3.230 -4.107 1.00 0.00 N ATOM 1271 CA VAL A 90 16.902 -2.637 -5.401 1.00 0.00 C ATOM 1272 C VAL A 90 16.810 -1.119 -5.302 1.00 0.00 C ATOM 1273 O VAL A 90 17.309 -0.398 -6.168 1.00 0.00 O ATOM 1274 CB VAL A 90 15.576 -3.186 -5.960 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.163 -2.417 -7.206 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.697 -4.673 -6.257 1.00 0.00 C ATOM 0 H VAL A 90 16.570 -3.957 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 90 17.712 -2.905 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 90 14.801 -3.052 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.224 -2.819 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.033 -1.364 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.936 -2.517 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.751 -5.044 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.485 -4.834 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.943 -5.208 -5.340 1.00 0.00 H new ATOM 1286 N LEU A 91 16.170 -0.638 -4.242 1.00 0.00 N ATOM 1287 CA LEU A 91 16.013 0.797 -4.029 1.00 0.00 C ATOM 1288 C LEU A 91 17.365 1.465 -3.800 1.00 0.00 C ATOM 1289 O LEU A 91 17.661 2.506 -4.387 1.00 0.00 O ATOM 1290 CB LEU A 91 15.094 1.057 -2.834 1.00 0.00 C ATOM 1291 CG LEU A 91 13.751 0.327 -2.849 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.191 0.210 -1.440 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.764 1.044 -3.759 1.00 0.00 C ATOM 0 H LEU A 91 15.751 -1.220 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 91 15.564 1.226 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.626 0.778 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.902 2.128 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 91 13.910 -0.678 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.235 -0.312 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.889 -0.348 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.047 1.206 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.814 0.510 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.610 2.061 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.161 1.075 -4.774 1.00 0.00 H new ATOM 1305 N ARG A 92 18.182 0.858 -2.945 1.00 0.00 N ATOM 1306 CA ARG A 92 19.503 1.393 -2.640 1.00 0.00 C ATOM 1307 C ARG A 92 20.356 1.488 -3.901 1.00 0.00 C ATOM 1308 O ARG A 92 21.041 2.485 -4.126 1.00 0.00 O ATOM 1309 CB ARG A 92 20.205 0.516 -1.601 1.00 0.00 C ATOM 1310 CG ARG A 92 19.435 0.380 -0.298 1.00 0.00 C ATOM 1311 CD ARG A 92 20.248 -0.356 0.755 1.00 0.00 C ATOM 1312 NE ARG A 92 21.459 0.374 1.121 1.00 0.00 N ATOM 1313 CZ ARG A 92 22.201 0.081 2.183 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.858 -0.922 2.979 1.00 0.00 N ATOM 1315 NH2 ARG A 92 23.289 0.791 2.450 1.00 0.00 N ATOM 0 H ARG A 92 17.952 -0.005 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 92 19.375 2.396 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.365 -0.476 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.189 0.935 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.168 1.369 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.503 -0.155 -0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.635 -0.510 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.519 -1.343 0.379 1.00 0.00 H new ATOM 0 HE ARG A 92 21.751 1.151 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.022 -1.471 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.430 -1.145 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.557 1.563 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.858 0.565 3.266 1.00 0.00 H new ATOM 1329 N ASN A 93 20.310 0.442 -4.721 1.00 0.00 N ATOM 1330 CA ASN A 93 21.080 0.407 -5.959 1.00 0.00 C ATOM 1331 C ASN A 93 20.682 1.557 -6.880 1.00 0.00 C ATOM 1332 O ASN A 93 21.527 2.154 -7.545 1.00 0.00 O ATOM 1333 CB ASN A 93 20.872 -0.929 -6.675 1.00 0.00 C ATOM 1334 CG ASN A 93 21.803 -2.011 -6.160 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.988 -2.035 -6.492 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.267 -2.913 -5.346 1.00 0.00 N ATOM 0 H ASN A 93 19.748 -0.392 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 93 22.134 0.516 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.839 -1.251 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.032 -0.794 -7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.843 -3.665 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.279 -2.853 -5.098 1.00 0.00 H new ATOM 1343 N ALA A 94 19.388 1.862 -6.911 1.00 0.00 N ATOM 1344 CA ALA A 94 18.878 2.941 -7.748 1.00 0.00 C ATOM 1345 C ALA A 94 19.626 4.243 -7.480 1.00 0.00 C ATOM 1346 O ALA A 94 20.036 4.515 -6.353 1.00 0.00 O ATOM 1347 CB ALA A 94 17.387 3.130 -7.514 1.00 0.00 C ATOM 0 H ALA A 94 18.675 1.377 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 94 19.039 2.667 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.019 3.939 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.860 2.208 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.212 3.378 -6.467 1.00 0.00 H new ATOM 1353 N GLY A 95 19.801 5.045 -8.526 1.00 0.00 N ATOM 1354 CA GLY A 95 20.501 6.308 -8.383 1.00 0.00 C ATOM 1355 C GLY A 95 19.560 7.464 -8.109 1.00 0.00 C ATOM 1356 O GLY A 95 18.447 7.264 -7.622 1.00 0.00 O ATOM 0 H GLY A 95 19.471 4.843 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.222 6.230 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.067 6.511 -9.292 1.00 0.00 H new ATOM 1360 N GLN A 96 20.007 8.677 -8.419 1.00 0.00 N ATOM 1361 CA GLN A 96 19.197 9.869 -8.200 1.00 0.00 C ATOM 1362 C GLN A 96 17.807 9.701 -8.805 1.00 0.00 C ATOM 1363 O GLN A 96 16.800 9.761 -8.099 1.00 0.00 O ATOM 1364 CB GLN A 96 19.883 11.096 -8.804 1.00 0.00 C ATOM 1365 CG GLN A 96 19.444 12.409 -8.176 1.00 0.00 C ATOM 1366 CD GLN A 96 20.509 13.484 -8.266 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.098 13.703 -9.325 1.00 0.00 O ATOM 1368 NE2 GLN A 96 20.761 14.162 -7.153 1.00 0.00 N ATOM 0 H GLN A 96 20.926 8.860 -8.823 1.00 0.00 H new ATOM 0 HA GLN A 96 19.091 10.013 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 96 20.962 10.991 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.677 11.128 -9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.538 12.759 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.191 12.240 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.249 13.947 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.467 14.898 -7.153 1.00 0.00 H new ATOM 1377 N VAL A 97 17.759 9.490 -10.116 1.00 0.00 N ATOM 1378 CA VAL A 97 16.492 9.312 -10.816 1.00 0.00 C ATOM 1379 C VAL A 97 15.901 7.934 -10.542 1.00 0.00 C ATOM 1380 O VAL A 97 16.309 6.941 -11.144 1.00 0.00 O ATOM 1381 CB VAL A 97 16.660 9.494 -12.336 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.336 9.271 -13.050 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.219 10.874 -12.649 1.00 0.00 C ATOM 0 H VAL A 97 18.583 9.438 -10.715 1.00 0.00 H new ATOM 0 HA VAL A 97 15.812 10.076 -10.439 1.00 0.00 H new ATOM 0 HB VAL A 97 17.370 8.750 -12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.474 9.404 -14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.982 8.259 -12.852 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.601 9.990 -12.687 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.331 10.985 -13.728 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.536 11.637 -12.275 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.191 10.990 -12.169 1.00 0.00 H new ATOM 1393 N VAL A 98 14.937 7.880 -9.628 1.00 0.00 N ATOM 1394 CA VAL A 98 14.288 6.623 -9.275 1.00 0.00 C ATOM 1395 C VAL A 98 12.880 6.549 -9.855 1.00 0.00 C ATOM 1396 O VAL A 98 11.946 7.153 -9.327 1.00 0.00 O ATOM 1397 CB VAL A 98 14.212 6.441 -7.747 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.485 5.151 -7.399 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.606 6.458 -7.139 1.00 0.00 C ATOM 0 H VAL A 98 14.588 8.692 -9.119 1.00 0.00 H new ATOM 0 HA VAL A 98 14.895 5.823 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 98 13.647 7.273 -7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.441 5.039 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.473 5.184 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.020 4.304 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.534 6.328 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.198 5.647 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.087 7.411 -7.358 1.00 0.00 H new ATOM 1409 N HIS A 99 12.734 5.804 -10.947 1.00 0.00 N ATOM 1410 CA HIS A 99 11.439 5.650 -11.599 1.00 0.00 C ATOM 1411 C HIS A 99 10.632 4.531 -10.948 1.00 0.00 C ATOM 1412 O HIS A 99 10.868 3.350 -11.205 1.00 0.00 O ATOM 1413 CB HIS A 99 11.626 5.359 -13.089 1.00 0.00 C ATOM 1414 CG HIS A 99 11.720 6.592 -13.933 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.732 6.804 -14.846 1.00 0.00 N ATOM 1416 CD2 HIS A 99 10.919 7.681 -14.001 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.550 7.972 -15.437 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.457 8.524 -14.943 1.00 0.00 N ATOM 0 H HIS A 99 13.496 5.298 -11.398 1.00 0.00 H new ATOM 0 HA HIS A 99 10.889 6.584 -11.485 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.531 4.766 -13.224 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.792 4.751 -13.440 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.024 7.855 -13.422 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.187 8.402 -16.195 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.074 9.429 -15.216 1.00 0.00 H new ATOM 1427 N LEU A 100 9.680 4.911 -10.102 1.00 0.00 N ATOM 1428 CA LEU A 100 8.838 3.939 -9.412 1.00 0.00 C ATOM 1429 C LEU A 100 7.603 3.603 -10.242 1.00 0.00 C ATOM 1430 O LEU A 100 6.878 4.493 -10.686 1.00 0.00 O ATOM 1431 CB LEU A 100 8.416 4.481 -8.045 1.00 0.00 C ATOM 1432 CG LEU A 100 8.285 3.448 -6.925 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.236 2.406 -7.280 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.627 2.784 -6.653 1.00 0.00 C ATOM 0 H LEU A 100 9.472 5.884 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 100 9.418 3.027 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.141 5.233 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.458 4.989 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 100 7.965 3.962 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.157 1.679 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.272 2.894 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.526 1.896 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.515 2.052 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.975 2.284 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.353 3.540 -6.354 1.00 0.00 H new ATOM 1446 N THR A 101 7.368 2.310 -10.446 1.00 0.00 N ATOM 1447 CA THR A 101 6.221 1.855 -11.222 1.00 0.00 C ATOM 1448 C THR A 101 5.101 1.366 -10.310 1.00 0.00 C ATOM 1449 O THR A 101 5.203 0.300 -9.702 1.00 0.00 O ATOM 1450 CB THR A 101 6.611 0.724 -12.191 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.845 1.041 -12.843 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.523 0.504 -13.231 1.00 0.00 C ATOM 0 H THR A 101 7.957 1.560 -10.084 1.00 0.00 H new ATOM 0 HA THR A 101 5.869 2.710 -11.799 1.00 0.00 H new ATOM 0 HB THR A 101 6.731 -0.193 -11.615 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.594 0.815 -12.253 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.821 -0.300 -13.905 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.592 0.233 -12.732 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.375 1.420 -13.802 1.00 0.00 H new ATOM 1460 N LEU A 102 4.033 2.150 -10.220 1.00 0.00 N ATOM 1461 CA LEU A 102 2.892 1.795 -9.383 1.00 0.00 C ATOM 1462 C LEU A 102 1.619 1.684 -10.216 1.00 0.00 C ATOM 1463 O LEU A 102 1.515 2.273 -11.292 1.00 0.00 O ATOM 1464 CB LEU A 102 2.703 2.835 -8.278 1.00 0.00 C ATOM 1465 CG LEU A 102 3.975 3.300 -7.569 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.695 4.352 -8.398 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.647 3.842 -6.185 1.00 0.00 C ATOM 0 H LEU A 102 3.933 3.036 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 102 3.093 0.824 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.211 3.707 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.025 2.423 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 102 4.637 2.442 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.598 4.671 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.965 3.930 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.039 5.210 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.564 4.168 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.965 4.687 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.177 3.059 -5.590 1.00 0.00 H new ATOM 1479 N VAL A 103 0.651 0.927 -9.710 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.617 0.741 -10.405 1.00 0.00 C ATOM 1481 C VAL A 103 -1.795 0.893 -9.449 1.00 0.00 C ATOM 1482 O VAL A 103 -1.999 0.064 -8.562 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.691 -0.643 -11.078 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.081 -1.707 -10.179 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.131 -0.989 -11.426 1.00 0.00 C ATOM 0 H VAL A 103 0.721 0.432 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.674 1.513 -11.172 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.115 -0.610 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.142 -2.678 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.964 -1.464 -9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.627 -1.743 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.165 -1.970 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.731 -1.005 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.530 -0.241 -12.111 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.569 1.957 -9.637 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.727 2.219 -8.791 1.00 0.00 C ATOM 1497 C ARG A 104 -5.025 2.010 -9.566 1.00 0.00 C ATOM 1498 O ARG A 104 -5.039 2.055 -10.796 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.672 3.646 -8.242 1.00 0.00 C ATOM 1500 CG ARG A 104 -3.991 4.710 -9.279 1.00 0.00 C ATOM 1501 CD ARG A 104 -3.459 6.072 -8.861 1.00 0.00 C ATOM 1502 NE ARG A 104 -4.226 6.643 -7.756 1.00 0.00 N ATOM 1503 CZ ARG A 104 -3.870 7.747 -7.108 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -2.767 8.396 -7.453 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -4.620 8.204 -6.114 1.00 0.00 N ATOM 0 H ARG A 104 -2.415 2.652 -10.368 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.704 1.516 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.375 3.735 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.677 3.832 -7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -3.557 4.427 -10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.070 4.768 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.414 5.978 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.490 6.751 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.081 6.168 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -2.189 8.048 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.496 9.243 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.470 7.708 -5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.346 9.052 -5.617 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.112 1.781 -8.837 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.414 1.563 -9.456 1.00 0.00 C ATOM 1521 C ARG A 105 -7.943 2.852 -10.079 1.00 0.00 C ATOM 1522 O ARG A 105 -8.082 3.871 -9.401 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.412 1.037 -8.423 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.435 0.072 -9.001 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.770 0.179 -8.281 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.517 -1.075 -8.325 1.00 0.00 N ATOM 1527 CZ ARG A 105 -12.441 -1.412 -7.431 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -12.730 -0.592 -6.430 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.078 -2.571 -7.539 1.00 0.00 N ATOM 0 H ARG A 105 -6.117 1.742 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.293 0.821 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.865 0.537 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.935 1.881 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -9.575 0.280 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.059 -0.948 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.600 0.464 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.365 0.971 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.319 -1.728 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.243 0.300 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.440 -0.853 -5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.859 -3.204 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.787 -2.829 -6.853 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.236 2.801 -11.374 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.749 3.963 -12.089 1.00 0.00 C ATOM 1545 C LYS A 106 -10.138 4.343 -11.584 1.00 0.00 C ATOM 1546 O LYS A 106 -10.773 3.584 -10.852 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.802 3.681 -13.592 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.458 3.294 -14.185 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.621 2.358 -15.372 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.717 3.129 -16.680 1.00 0.00 C ATOM 1551 NZ LYS A 106 -8.858 4.086 -16.677 1.00 0.00 N ATOM 0 H LYS A 106 -8.127 1.966 -11.950 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.073 4.798 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.516 2.879 -13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.176 4.566 -14.107 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.926 4.192 -14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.848 2.812 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.775 1.671 -15.414 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.517 1.752 -15.239 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.788 3.672 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.833 2.428 -17.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.104 4.337 -17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.679 3.645 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.589 4.945 -16.157 1.00 0.00 H new